E00ARE -OEChem-05082103133D 54 54 0 0 0 0 0 0 0999 V2000 2.5362 1.8395 0.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 2.6294 -0.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1345 -2.9038 1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 -1.6176 -0.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6781 -3.5670 0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1544 1.1727 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1072 0.2014 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 1.1847 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5575 0.2056 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 2.1467 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4441 -0.8261 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 2.1418 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 -0.8815 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 3.0983 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7512 -1.9296 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 3.1317 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1738 -1.8908 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 1.7268 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 0.3330 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 0.0023 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 -0.6463 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -1.9563 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 -1.3078 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 -2.2871 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 0.9069 1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 2.1847 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -0.8141 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 0.4283 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 1.4603 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 0.1704 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9837 1.2064 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5609 0.0078 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 3.1629 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 1.8777 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9864 -1.8184 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4826 -0.5985 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 2.4353 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 1.1227 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8277 -1.0911 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3313 0.1079 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 4.1107 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 2.7740 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3287 -2.9285 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7712 -1.7518 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 3.8390 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9176 3.4626 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6336 -0.9131 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7872 -2.6488 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1916 -2.0911 1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2209 0.7609 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 -0.4185 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -2.4953 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7138 -0.8167 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 -4.1033 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 18 2 0 0 0 0 3 22 1 0 0 0 0 3 52 1 0 0 0 0 4 23 1 0 0 0 0 4 53 1 0 0 0 0 5 24 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 M END $$$$ E00HIM -OEChem-05082103253D 55 55 0 0 0 0 0 0 0999 V2000 -5.2365 1.2175 -0.0797 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8112 0.4231 0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3554 1.8360 -1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 1.9871 1.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9673 0.4478 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 -0.2407 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -0.5282 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 0.7323 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 0.2136 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 -0.0111 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6973 -0.7172 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 0.9611 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0627 -0.0316 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 0.2175 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2779 -0.9586 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 1.1758 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6025 -0.2398 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4474 -0.0661 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9601 -0.5026 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8917 -0.6442 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9166 -1.5174 1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8484 -1.6589 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3607 -2.0954 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0201 1.0239 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 1.1685 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -0.8057 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 -0.9714 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 -1.0981 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -1.2489 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 1.4481 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 1.3083 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 0.9263 0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 0.8019 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.7105 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 -0.6065 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -1.2978 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6015 -1.4425 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 1.6475 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 1.5707 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 0.5162 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1461 0.7222 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 -0.4959 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -0.3821 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2886 -1.4609 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1821 -1.7425 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 1.7596 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 1.8647 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 0.2391 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4340 -0.9483 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7488 0.5311 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6234 -0.0721 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5011 -0.3266 -2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3144 -1.8588 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1930 -2.1107 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1048 -2.8862 0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 23 2 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 M END $$$$ E00ONP -OEChem-05082103093D 23 22 0 0 0 0 0 0 0999 V2000 -1.1458 -0.1573 -0.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 1.8218 0.3339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 -0.5055 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.2775 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 0.3376 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -1.7857 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 0.7619 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 0.1807 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -0.9311 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 -0.7794 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 -0.3257 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 1.1608 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 0.5595 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4341 -0.1959 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 1.2855 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 -1.5800 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 -2.3797 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -2.4061 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 0.3029 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 1.1186 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 -0.7054 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 -1.0776 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 -1.8797 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 M END $$$$ E00QLA -OEChem-05082103213D 79 82 0 1 0 0 0 0 0999 V2000 4.5239 0.1810 -0.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -2.8032 0.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 1.7443 1.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5547 -1.8349 0.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -0.5570 0.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -4.4671 -0.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 2.4097 0.4511 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 3.8687 -1.6328 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7461 4.6245 -0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -5.3297 0.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 2.3404 -0.2612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 -2.1501 -1.9539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 0.7716 -2.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1758 -0.2525 1.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3864 1.6098 2.3439 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 -1.0751 0.5050 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2748 -2.1086 0.0085 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8664 -3.5237 0.4185 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4482 0.9573 0.6332 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2626 1.8458 -0.3053 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8320 -1.4910 0.1673 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4035 -3.7926 0.0580 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3951 2.9611 -0.8912 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6659 3.7256 0.2142 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9198 2.7450 1.1297 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9390 -5.1554 0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 3.4472 2.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 -0.3402 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 -1.3609 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 0.8994 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 1.1206 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -1.1398 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6813 0.1009 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 0.3322 -1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2725 0.0323 -1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4229 0.9499 -1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6915 0.6316 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9539 1.2738 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5767 -0.2993 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1278 0.9785 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7504 -0.5948 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0259 0.0442 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1202 -1.3196 2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -0.9687 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3977 -2.0308 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -3.6518 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 0.3297 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 1.2623 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 -1.4583 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -3.7648 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 2.5366 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 4.3290 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 2.2564 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 -5.2243 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 -5.9701 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 2.7146 2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 4.1756 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 3.9591 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1707 -2.5125 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -4.3650 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9668 2.8025 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 4.5718 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4054 5.2181 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -4.6001 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6104 -2.3458 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 1.6923 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 0.1286 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5242 -1.0162 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 2.3657 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -2.9317 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6023 0.8642 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1443 1.9990 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2551 2.0008 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3701 -0.8036 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4458 -1.3235 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2560 1.3175 2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1009 -1.4076 2.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8896 -2.2634 1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3734 -1.1157 3.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 17 1 0 0 0 0 4 59 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 18 1 0 0 0 0 6 60 1 0 0 0 0 7 20 1 0 0 0 0 7 61 1 0 0 0 0 8 23 1 0 0 0 0 8 62 1 0 0 0 0 9 24 1 0 0 0 0 9 63 1 0 0 0 0 10 26 1 0 0 0 0 10 64 1 0 0 0 0 11 31 1 0 0 0 0 11 69 1 0 0 0 0 12 32 1 0 0 0 0 12 70 1 0 0 0 0 13 34 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 40 1 0 0 0 0 15 76 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 73 1 0 0 0 0 39 41 2 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M END $$$$ E00SKG -OEChem-05082103283D 55 54 0 1 0 0 0 0 0999 V2000 2.7128 -1.5702 2.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 -0.1147 1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 2.0073 1.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -2.2930 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -3.1369 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 -1.1049 0.6725 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2791 -2.4171 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 1.8537 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 2.3954 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 2.6881 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.2848 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 -3.3449 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 1.5712 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 2.1412 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 2.0749 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -2.5742 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 1.0959 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 2.1770 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 1.2015 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 -3.4850 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 1.1197 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 -2.9550 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 -1.9274 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -3.9646 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -3.6015 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.4594 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -1.6281 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -1.9226 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 1.8055 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 0.8285 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 2.4697 -2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 3.4182 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 3.7257 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 2.7112 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -0.8003 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5775 -0.2498 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -4.1356 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -3.8345 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 0.5430 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 1.5185 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 2.7684 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 1.1487 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1569 3.0935 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 2.1476 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -1.7720 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 -2.1034 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 1.2090 2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 3.1389 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 1.5999 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0693 0.1926 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -0.7924 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 -3.9435 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -4.2842 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -2.9129 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -0.2011 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M END $$$$ E00WFP -OEChem-05082103053D 12 11 0 0 0 0 0 0 0999 V2000 1.8381 -0.1603 -0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.5081 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 0.5200 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 0.1484 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 -1.1648 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 -1.1579 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 1.1530 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 1.1632 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 0.7717 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 -0.6130 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 0.7789 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 -0.6971 0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E00WOC -OEChem-05082103313D 52 51 0 0 0 0 0 0 0999 V2000 -7.1640 0.1939 0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -0.7625 -0.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 1.3128 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 2.1518 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 1.5406 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 1.9047 -0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 0.6702 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 2.7876 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9162 0.8502 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.2797 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8799 -2.6178 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 2.5259 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 -2.0881 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 -2.8878 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 1.6049 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 0.7218 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -1.7770 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0486 0.0065 0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 -0.5651 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -3.2928 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3513 1.5445 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 0.2512 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 3.2146 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 1.9320 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 1.3061 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 2.5979 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 2.0841 -1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 0.8475 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 -0.3852 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 0.9135 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 2.6741 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 3.8424 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2271 1.9001 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 0.5749 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 -1.3719 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 -3.0879 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8965 -3.5029 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 -1.7937 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 3.1240 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 -1.3335 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 -3.0129 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -3.6830 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.9896 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5505 1.5207 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 0.5500 0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 1.2447 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -2.6426 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3044 -0.5057 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -4.2190 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -3.4564 -1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -2.5128 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9139 -0.3540 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 52 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 18 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 2 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 20 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 M END $$$$ E00XNE -OEChem-05082103053D 28 29 0 0 0 0 0 0 0999 V2000 0.0384 0.5677 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 2.4489 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 0.4999 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 1.3848 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 0.2801 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 0.0929 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 0.0951 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 1.2167 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 -0.7297 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 -0.7276 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5899 0.7551 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 -1.0932 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -1.1399 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 -0.1431 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 -1.9914 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4127 -1.5163 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 2.0296 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 2.0313 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 0.4046 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 0.4086 -2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -1.0514 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 -1.0476 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 1.8210 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 -1.5085 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 -1.7807 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6783 0.2266 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9117 -3.0609 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2436 -2.2157 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$ E01EBV -OEChem-05082103093D 22 22 0 0 0 0 0 0 0999 V2000 1.8187 0.4952 0.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -2.2424 0.1024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9809 2.0807 0.0934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -0.1059 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 0.6640 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -1.4800 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 0.0596 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 1.5160 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 -2.0843 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8217 -1.3145 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 1.5493 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 0.8623 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 1.7331 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 1.3279 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8634 2.4805 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 -3.1537 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 -1.7998 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1355 2.3309 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 1.7338 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 0.5849 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 0.3281 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -3.1678 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E01IZK -OEChem-05082103053D 19 19 0 0 0 0 0 0 0999 V2000 2.1225 0.8667 -0.3113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5276 -2.2538 -0.2299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -1.2425 0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 0.0737 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -0.9641 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 1.3872 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3161 -0.6885 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 1.6627 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 0.6249 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 -0.1918 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 0.7256 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1926 2.2165 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -1.4870 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2104 2.6849 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 0.8395 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -2.8311 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8508 -0.1135 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 0.5832 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 1.6444 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E01LXK -OEChem-05082103063D 45 46 0 1 0 0 0 0 0999 V2000 -1.4680 0.4385 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -0.8919 0.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 0.4834 -0.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -2.0054 1.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 0.6319 0.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 0.2156 2.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.7286 0.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.8347 1.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -1.8480 -2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 3.2450 -0.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 0.2057 -2.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -0.8632 -0.3037 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9301 -1.0229 0.1866 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2290 0.3737 0.6887 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5505 1.2243 -0.3791 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7534 -0.7453 0.3971 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6462 -0.7853 1.6390 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1147 -0.5553 1.2746 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2915 0.6577 0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2579 0.7203 -0.7858 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0903 -1.9271 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 2.5323 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.1903 -1.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -1.2732 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 0.5301 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 1.4361 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -1.5992 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -1.7530 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -0.4029 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.6750 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 1.7505 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1311 -2.9324 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 -1.7686 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 2.3605 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 3.1543 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.1132 -2.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 -1.2446 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.9485 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 1.5664 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 0.0666 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -1.5769 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 2.6011 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 -2.5508 -3.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.6806 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 1.1234 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 14 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E01MLR -OEChem-05082103123D 13 13 0 0 0 0 0 0 0999 V2000 -2.0479 0.0086 0.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 1.1205 0.0322 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 -0.7051 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 0.7667 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -1.2047 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8284 0.0139 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 -0.8220 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -1.2469 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 1.3780 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 0.9414 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -2.0299 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -1.4998 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 2.0758 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 M END $$$$ E01TKQ -OEChem-05082103323D 24 23 0 0 0 0 0 0 0999 V2000 1.1999 0.1042 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4124 -0.5606 0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 -1.3044 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -1.2428 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 -0.8190 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 1.0455 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1979 0.2276 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8717 0.4825 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 0.3046 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8411 1.7623 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -2.3469 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 -0.7568 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -1.6290 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -1.8580 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -1.3634 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 1.1580 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 2.0640 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 0.4962 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 1.1238 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -0.5228 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 0.4286 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 2.3321 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 2.1086 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 1.9131 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END $$$$ E01VDF -OEChem-05082103043D 15 14 0 0 0 0 0 0 0999 V2000 -2.4187 0.3489 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 0.3421 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.5181 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -0.5090 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.3361 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 0.9861 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 1.0212 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -1.1695 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 -1.1673 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -1.1426 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 -1.1505 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 0.9724 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 0.9795 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 -0.3002 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 0.8920 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E01VHX -OEChem-05082103303D 34 37 0 0 0 0 0 0 0999 V2000 6.9779 1.5472 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.9779 -1.5472 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.6342 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.6342 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 -2.2181 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 2.2181 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 -0.5219 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0027 0.5219 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6609 0.0914 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 -0.0913 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 0.8709 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0506 -0.8709 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 -1.0388 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 1.0388 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 -1.2967 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1533 1.2967 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 1.5244 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 -1.5244 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 -0.6411 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3849 0.6411 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4454 0.7601 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4454 -0.7601 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 -2.7866 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 2.7866 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 2.6100 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 -2.6100 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 -1.2173 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 1.2172 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 -3.1639 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1371 -3.2114 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 -3.1624 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6215 3.1638 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1371 3.2114 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 3.1624 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 M END $$$$ E01YXN -OEChem-05082103243D 23 23 0 1 0 0 0 0 0999 V2000 -0.7565 -0.0916 0.5386 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 0.0228 0.9479 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9552 0.3151 -0.3306 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5575 0.8833 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 -0.9625 -1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -0.0595 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 1.1495 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 -1.2372 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 1.1813 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -1.2053 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 0.0040 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5883 1.0642 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 1.1574 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 1.7720 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9366 -1.3292 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 -0.7963 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -1.7663 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 2.0921 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8449 -2.1811 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4127 -0.3261 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 2.1236 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 -2.1220 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3856 0.0291 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E01ZRI -OEChem-05082103083D 20 19 0 0 0 0 0 0 0999 V2000 1.1836 0.4465 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -1.5592 0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 -0.2484 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 0.5565 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 0.6585 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 -0.3361 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 -0.2597 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 0.7419 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 -0.8744 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4876 -0.9283 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 1.1796 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 1.2028 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5899 0.0614 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6837 1.2701 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6861 1.3279 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.8877 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -0.8919 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 0.2350 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 1.3895 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 1.3936 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E02ABP -OEChem-05082103333D 64 65 0 0 0 0 0 0 0999 V2000 7.1659 5.5609 -0.3987 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.0962 5.5960 0.4022 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 -2.1892 -1.2146 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 -2.2017 1.2079 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0649 -0.9683 -0.7377 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0751 -0.9586 0.7377 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -2.9477 -2.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 -2.9330 2.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 -0.0095 1.2381 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 0.0103 -1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3335 -2.1819 1.3025 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3675 -2.1704 -1.3004 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 -3.3389 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -3.3529 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -3.3075 -1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 -3.3438 1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 -3.3515 -1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -3.3714 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 -2.0891 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5471 -2.0857 1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4462 -1.0533 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4628 -1.0399 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 1.3184 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 1.3418 -0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 1.6004 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5908 1.6289 0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 2.3485 1.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1959 2.3703 -1.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 2.9125 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8474 2.9445 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 3.6604 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4526 3.6859 -1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 3.9424 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7784 3.9730 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -2.4641 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 -4.2286 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 -4.2439 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -2.4791 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 -4.1612 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -2.3982 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 -2.4465 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -4.2107 2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -3.3513 -2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -4.2811 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -4.2955 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8189 -3.3728 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -2.7625 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 -3.7833 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3979 -2.7360 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0823 -3.7731 2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0925 -0.1565 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1052 -0.1363 -2.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7045 0.8224 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6903 0.8526 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9559 2.1422 2.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9424 2.1600 -2.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1538 3.1168 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1081 3.1529 1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 4.4530 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 4.4772 -2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6528 -2.1838 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9401 -3.0473 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6909 -2.1690 -2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9834 -3.0405 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 17 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 4 20 2 0 0 0 0 5 19 1 0 0 0 0 5 21 2 0 0 0 0 6 20 1 0 0 0 0 6 22 2 0 0 0 0 7 19 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 20 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 51 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 10 52 1 0 0 0 0 11 21 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 22 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 27 31 2 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$ E02AQT -OEChem-05082103263D 17 17 0 1 0 0 0 0 0999 V2000 2.1617 -0.9509 -0.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 1.2164 -0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 0.9314 0.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 -0.2476 0.7251 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7235 -1.3171 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9888 -0.6106 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 0.8635 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 0.1149 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -0.5522 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 -2.1429 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -1.7411 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.9157 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 -0.8485 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 1.1932 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 1.4831 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 1.8003 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -0.7341 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E02AWG -OEChem-05082103293D 24 24 0 1 0 0 0 0 0999 V2000 0.6618 1.3230 -0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 -2.3090 -0.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -0.3534 1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 -1.2361 -0.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 1.2720 -1.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 0.4758 -0.3702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 -0.9371 -0.3514 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9863 -0.0636 0.0748 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4718 -0.5351 0.4176 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7212 0.9670 0.2864 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4712 1.7540 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 -0.3575 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 -0.8301 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 -0.8117 1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5694 1.2770 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 2.8159 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2485 1.6651 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 -0.1492 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 -1.3906 -0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -2.5963 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 -0.1275 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6215 -1.1375 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 0.8786 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 1.3979 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02GAH -OEChem-05082103273D 24 24 0 1 0 0 0 0 0999 V2000 0.8173 0.9667 -0.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.6649 -1.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -1.9912 0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 0.7905 0.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 2.5840 -0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 0.6143 0.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -1.3703 0.1503 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1482 -0.9793 0.5197 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2348 -0.2110 0.4651 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5386 0.3496 -0.1266 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4795 1.4188 0.1511 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6692 -0.5074 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -2.2817 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -0.9039 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 0.0165 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 0.2205 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 1.6989 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 -0.6761 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 -1.3811 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -0.8344 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -1.6951 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 1.6458 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4254 3.3442 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 1.3820 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02IKB -OEChem-05082103053D 3 2 0 0 0 0 0 0 0999 V2000 1.3063 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1096 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1967 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E02WLG -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 -1.6487 0.6571 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 -1.2934 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9006 -0.0812 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 0.7867 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5023 -0.0691 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 1.4215 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 1.4088 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 -0.6844 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 -0.6969 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 0.0839 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 M END $$$$ E02WYE -OEChem-05082103093D 41 40 0 0 0 0 0 0 0999 V2000 -6.4238 -0.6992 -0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 1.3857 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 0.4047 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9873 -0.5018 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 -0.3640 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 0.3184 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 0.4888 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 -0.5845 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1006 -0.3398 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 0.2403 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3725 0.5124 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 -0.6336 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -0.3041 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 0.1646 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7166 -0.0879 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 1.0451 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 1.0720 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 -1.1769 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 -1.1271 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 -0.9996 0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.0442 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 0.9266 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 1.0104 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 1.1476 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 1.1383 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -1.2635 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5288 -1.2057 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0845 -0.9465 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -1.0398 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 0.8565 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 0.9361 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3824 1.1286 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3588 1.2024 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -1.2353 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0813 -1.3067 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6983 -0.9066 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -0.9779 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.3562 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4671 -0.8822 -0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8075 0.5166 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8886 0.5233 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 M END $$$$ E02ZQY -OEChem-05082103073D 44 43 0 0 0 0 0 0 0999 V2000 -0.6713 1.0246 -0.4878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 -1.9346 0.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -0.3616 0.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0881 0.7758 0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -0.9383 -1.6907 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1494 -2.3690 -0.0173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 2.7048 -0.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4441 2.2593 1.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 0.0939 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -0.5688 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 0.8564 1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 -0.9661 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2307 -1.2286 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 1.5759 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 2.0622 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8407 -2.9874 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -0.8599 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1353 1.3352 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 2.9521 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.9705 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 0.2142 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2621 0.3303 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -1.3545 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 0.1032 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 1.5880 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 0.1522 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 -2.5660 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -3.4969 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7689 -1.7487 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9619 -1.1258 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 2.2539 -0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 1.5674 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 3.3969 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 3.7541 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 2.3772 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 -4.7909 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 -4.3859 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 -3.4707 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7728 0.5050 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9806 1.1157 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 -0.1342 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 0.0746 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -0.6012 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0811 0.7256 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$ E03BDU -OEChem-05082103093D 18 17 0 0 0 0 0 0 0999 V2000 3.5915 -0.3494 0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -0.3491 -0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 0.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -0.3720 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 -0.3726 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 0.4953 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 0.4953 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 -1.0031 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 -1.0520 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -1.0110 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -1.0456 -0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 1.0623 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 1.1166 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 1.1446 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 1.1120 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 1.1560 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 0.2288 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 -0.8685 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E03GBZ -OEChem-05082103093D 24 23 0 1 0 0 0 0 0999 V2000 3.5773 -0.6978 -0.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5774 -0.6978 0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 -0.6608 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 -0.6609 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 0.1803 -0.2969 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4606 0.1803 0.2970 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7380 1.0960 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 1.0961 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -1.3097 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -1.3308 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 -1.3014 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 -1.3386 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 0.7819 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 0.7736 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 0.7688 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 1.5846 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7874 0.5245 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 1.8762 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6819 1.6338 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 0.5175 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 1.8349 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 -1.2537 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 -0.1501 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E03GMQ -OEChem-05082103073D 15 14 0 0 0 0 0 0 0999 V2000 0.0001 0.0886 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.0042 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.7243 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 1.4186 -0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 -0.7788 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -0.1866 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -0.8252 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -1.7245 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 1.9576 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 1.9921 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 1.4248 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 -1.7838 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 -0.8731 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 -0.2842 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 0.5741 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E03GSO -OEChem-05082103283D 23 23 0 0 0 0 0 0 0999 V2000 3.2018 0.5781 0.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 -0.2451 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 1.0770 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -1.2906 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 0.3081 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 1.3536 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -1.0140 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2879 -0.5338 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 0.3242 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7361 -0.0196 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0892 -0.5379 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 1.9221 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 -2.3272 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 2.3852 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -1.8731 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -1.5394 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 1.3301 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 0.0874 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 0.6586 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 -1.0454 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 -1.1537 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 -1.1231 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -0.1391 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E03JHL -OEChem-05082103043D 20 19 0 0 0 0 0 0 0999 V2000 4.1961 -0.8576 0.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2399 0.7958 0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 1.2615 -0.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3089 -1.2748 -0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 0.3719 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 -0.3294 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.6184 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 0.6535 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 0.0542 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 -0.0567 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 0.9981 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 1.0494 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 -0.9245 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 -1.0371 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -1.2338 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7609 -1.2728 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 1.2590 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 1.3156 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -0.4280 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0973 0.3190 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 M END $$$$ E03JUX -OEChem-05082103053D 8 7 0 0 0 0 0 0 0999 V2000 -1.3042 -0.0008 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 -1.1479 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 1.1489 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 -0.0001 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 -1.1111 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 -2.0669 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 2.0672 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E03KJL -OEChem-05082103073D 22 21 0 1 0 0 0 0 0999 V2000 1.7318 1.0709 -1.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 0.4785 0.9014 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 -1.6112 0.9265 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 -0.1966 -0.5113 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5599 -0.8012 -0.2932 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3284 0.7162 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -1.2949 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 1.3375 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 0.3007 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 0.4240 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 -1.4200 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 1.5338 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 0.1596 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5242 -1.9957 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 -1.8650 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 -0.8738 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 1.8589 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 2.0653 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4975 0.5847 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -1.0328 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -2.0056 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 1.7712 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E03REJ -OEChem-05082103153D 33 35 0 0 0 0 0 0 0999 V2000 1.8095 -2.7981 0.3562 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 -2.9738 -0.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 1.8581 -0.2573 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3338 -0.3003 -0.3131 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5025 -0.3868 -0.4943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 -0.3188 0.6106 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.6680 -0.1973 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7703 0.4645 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 0.1985 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 -0.6098 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5851 -1.1338 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 1.7967 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3292 -1.9274 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0409 1.2725 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 -2.1889 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 2.8516 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5869 2.5901 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 -0.0961 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -1.1584 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 1.2177 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1633 0.4091 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -0.9053 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 1.4707 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6378 -1.3616 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 2.0458 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1024 1.0915 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 -3.2128 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 3.8776 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2898 3.4117 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 2.0521 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3839 -1.7468 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 2.5073 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 -2.6160 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$ E03VAV -OEChem-05082103303D 37 36 0 1 0 0 0 0 0999 V2000 -2.0565 0.1099 -0.1833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 1.4220 0.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -1.8284 0.2915 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 0.6071 -0.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 0.4281 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 -0.3458 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -0.4975 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 0.5706 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 0.2430 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -0.2085 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.6407 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8587 0.6926 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 0.3690 -0.2430 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2956 -0.5854 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8006 -0.3360 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 1.2234 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 0.9112 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -0.8147 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -1.1531 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6846 -1.3088 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 -0.9724 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 1.0533 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 1.3679 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 0.6570 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 1.0661 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 -0.6733 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6881 -1.0170 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8661 1.4958 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8628 1.1462 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7816 0.1154 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 0.8464 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3441 -1.4172 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 -0.9798 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -1.1459 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9099 -0.7401 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4463 1.0232 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6872 0.1288 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 36 1 0 0 0 0 3 11 2 0 0 0 0 4 15 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 M END $$$$ E03XRS -OEChem-05082103053D 69 69 0 1 0 0 0 0 0999 V2000 -1.1064 -1.1206 0.2665 N 0 0 2 0 0 0 0 0 0 0 0 0 1.3186 -0.9096 0.1091 N 0 0 1 0 0 0 0 0 0 0 0 0 0.2306 -3.9408 -1.8093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1415 -2.5557 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -2.4423 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 -2.2242 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1473 -0.8793 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 -1.0139 1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5413 -0.5966 0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 0.4413 1.5339 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6997 -0.1222 -0.0553 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0185 -1.6304 -2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 1.3426 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 1.1213 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 0.5415 2.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 0.1691 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1126 0.9608 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 2.4085 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6553 -0.3038 3.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4584 -0.9824 1.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 1.8357 -1.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6137 3.5714 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5544 1.4816 -2.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 4.8476 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -2.5947 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -3.2319 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 -3.0032 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -2.2383 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -1.6017 1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1097 0.1202 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1436 -1.4590 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 -1.6107 2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 0.1994 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 -1.4680 1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 0.8837 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -0.9304 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 -1.7293 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 -1.8741 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0863 -0.5752 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 1.3644 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 2.3750 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 1.3214 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 0.8814 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 -4.5801 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -4.1957 -2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 1.5891 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7374 0.2237 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8026 0.4091 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 1.0422 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0253 1.0389 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 -0.0832 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 2.7202 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 2.2235 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 -1.3730 3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4553 -0.0672 4.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6982 -0.1063 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7907 -1.1269 2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 -0.7708 2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 -1.9171 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4182 1.7131 -2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 2.8915 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 3.3184 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 3.7460 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4397 1.6309 -1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6557 2.1149 -3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5373 0.4375 -2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 5.1453 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 5.6658 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6425 4.7149 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 18 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 21 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 M END $$$$ E03YBG -OEChem-05082103043D 15 15 0 0 0 0 0 0 0999 V2000 2.6218 0.0716 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 0.6308 -0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -1.1243 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 -1.5409 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5104 1.2664 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 -0.7331 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 0.0280 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 1.4013 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 1.8511 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 1.8511 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 1.1712 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 2.4760 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5943 1.1803 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -1.1659 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6369 -2.5508 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 M END $$$$ E04CVA -OEChem-05082103233D 11 10 0 0 0 0 0 0 0999 V2000 0.0006 1.8238 0.0877 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.3985 0.5013 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 0.5386 0.4592 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -0.1809 -1.3099 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 0.5354 0.4425 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2853 -0.1976 -1.3076 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 -1.3935 0.5132 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 0.5369 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2578 -0.1338 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 -0.1304 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.5732 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 M END $$$$ E04DZI -OEChem-05082103123D 17 16 0 0 0 0 0 0 0999 V2000 2.0482 -0.0091 -0.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 0.2600 0.9561 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4059 0.0004 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 0.2030 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 0.9840 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -1.4384 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 -0.4760 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 1.2260 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 0.8198 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 2.0234 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 0.8732 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 -1.6134 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 -1.6549 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 -2.1674 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 0.1555 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 1.2265 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1027 -0.9611 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E04FXO -OEChem-05082103053D 3 2 0 0 0 0 0 0 0999 V2000 0.0000 -0.5774 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 0.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 0.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E04HFM -OEChem-05082103083D 16 16 0 0 0 0 0 0 0999 V2000 1.7522 0.0032 -0.0948 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2279 -0.0027 1.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1868 -1.2591 -0.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 1.2694 -0.6853 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 0.0004 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 1.2073 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -1.2087 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.2051 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0827 -1.2109 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 -0.0040 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 2.1612 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -2.1605 -0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 2.1447 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -2.1522 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 -0.0058 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 -0.7908 1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E04KSN -OEChem-05082103063D 26 25 0 1 0 0 0 0 0999 V2000 -1.1862 -1.7940 -1.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -1.5607 -0.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 -0.5745 0.8131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -0.5685 1.7691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 2.0270 -0.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 1.6744 -0.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 -1.0290 0.0283 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7399 -0.4759 -0.4352 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6133 0.0623 0.4716 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4925 0.3096 0.6577 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9264 1.0995 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 0.8299 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 -1.7454 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 0.1596 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 0.5674 1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 1.1525 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 0.6461 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 1.6660 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 0.0103 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 1.3994 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 -1.2399 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -2.1366 -0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 -1.2098 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -0.0481 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 1.5208 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 2.4038 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E04KTP -OEChem-05082103233D 42 43 0 1 0 0 0 0 0999 V2000 4.9400 -0.9745 -0.4092 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 0.2440 3.1779 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 -3.5006 -0.9498 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 -0.7998 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 1.2189 -0.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -0.5661 -0.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 2.4093 -0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -0.0611 -1.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 1.0791 -2.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 1.7102 0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -1.4567 2.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 0.6324 0.5783 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8863 1.0458 0.2470 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2052 0.1146 -0.9032 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5459 -1.1764 -0.4312 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7938 0.8560 -0.0911 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7296 1.5000 -1.1199 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1824 1.0802 -0.8813 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2692 -0.4479 -0.7561 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2509 -1.0403 0.2351 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0396 1.0157 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 -2.0238 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -0.8593 1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5994 0.8562 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 0.4868 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 -1.7714 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 1.2859 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6158 2.5895 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 1.4092 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 -0.8636 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -2.1224 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 2.0990 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 0.6478 2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 -1.4893 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 -2.3175 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 0.1907 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 -1.3464 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 2.9375 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -0.3752 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.5118 -3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 2.6713 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 -1.3311 3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 38 1 0 0 0 0 8 14 1 0 0 0 0 8 39 1 0 0 0 0 9 17 1 0 0 0 0 9 40 1 0 0 0 0 10 18 1 0 0 0 0 10 41 1 0 0 0 0 11 23 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E04WCM -OEChem-05082103083D 45 46 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6357 -0.0523 -1.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 0.0523 -1.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 -2.4452 1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 2.4452 1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 -1.8878 1.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 1.8878 1.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 0.7947 0.9743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 -0.7946 0.9743 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3351 2.3158 -2.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 -2.3158 -2.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 -0.8196 -0.3455 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8461 0.8196 -0.3455 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7369 -1.7413 0.4891 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7369 1.7413 0.4891 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8395 -0.9637 1.2050 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8396 0.9637 1.2050 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5809 -0.0542 0.2232 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5808 0.0542 0.2231 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5989 0.7846 -0.6060 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5989 -0.7846 -0.6059 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3065 1.5817 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3065 -1.5817 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 -1.4760 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 1.4761 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2028 -2.4901 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 2.4902 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 -0.3915 2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 0.3914 2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -0.6632 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 0.6633 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.4994 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 -1.4995 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 0.9226 -2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 2.2842 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8116 -0.9128 -2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0359 -2.2791 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -1.7866 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 1.7866 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3946 -1.3841 2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3945 1.3841 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1421 0.2392 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1422 -0.2391 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6976 1.6795 -2.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8058 -2.8124 -3.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 16 1 0 0 0 0 6 40 1 0 0 0 0 7 17 1 0 0 0 0 7 41 1 0 0 0 0 8 18 1 0 0 0 0 8 42 1 0 0 0 0 9 19 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E04XXD -OEChem-05082103043D 11 10 0 0 0 0 0 0 0999 V2000 1.8198 0.1639 -0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -0.1503 -0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 0.5066 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 -0.5202 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 1.1496 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 1.1639 -0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 -1.1586 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -1.1518 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9373 -0.7214 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 0.5534 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -0.5138 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E04ZMC -OEChem-05082103073D 19 18 0 1 0 0 0 0 0999 V2000 -1.5450 -1.4733 -0.2634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 0.3763 1.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 1.7673 -0.8569 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 0.0130 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 0.3243 -0.7445 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7318 -1.4774 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 0.6838 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -0.2139 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 0.4571 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 -0.0971 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 -1.9585 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 -1.9948 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -1.6168 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 0.2970 1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 0.4931 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 1.7701 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 1.9507 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 2.1741 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 -1.8228 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E05BRC -OEChem-05082103143D 26 26 0 0 0 0 0 0 0999 V2000 0.9726 -2.2161 0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 1.5331 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 0.5446 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 0.0645 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 2.0881 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 0.0029 -1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5092 0.0697 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -1.2794 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 1.0267 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 0.6109 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3485 -1.6951 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 -0.7499 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7995 2.4298 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 2.5201 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 2.5311 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 0.2346 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 0.4676 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -1.0766 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 0.5048 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 0.3729 2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 -1.0157 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 2.0964 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6011 -2.7521 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4075 -1.0867 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 -3.1020 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 1.0698 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E05GFF -OEChem-05082103083D 28 28 0 0 0 0 0 0 0999 V2000 1.2263 0.1186 -0.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 2.2559 -0.3568 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8411 -1.2431 0.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -0.5976 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -0.1661 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 0.5840 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9059 -1.3421 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0933 0.4513 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 1.0629 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 1.2097 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -0.8559 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4057 0.6359 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5316 -1.4296 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -0.6838 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 -1.3493 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -1.0874 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 0.5961 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.2881 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 1.3266 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 1.0518 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 -1.7969 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7663 -2.1112 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 -1.0105 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 2.2369 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 -1.4532 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2365 1.2217 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -2.4575 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7946 -2.1594 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 M END $$$$ E05PEC -OEChem-05082103093D 44 43 0 0 0 0 0 0 0999 V2000 -6.7904 -0.4678 0.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.4728 0.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 1.6011 0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 -1.5951 0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 0.4007 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -0.4455 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9081 -0.4323 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 0.4376 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 0.4167 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 -0.4086 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4483 -0.4393 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4445 0.4465 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 0.3788 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 -0.3729 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0738 0.1642 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -0.1601 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1478 -0.9022 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1457 0.9055 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 1.0568 0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 1.0539 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -1.1013 0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -1.0911 -1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 -1.0568 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8913 -1.1154 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 1.0780 -1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 1.0983 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 1.0706 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2262 1.0755 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1474 -1.0663 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -1.0645 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 -1.0832 0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5044 -1.0708 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 1.0871 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4929 1.0814 -0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1999 0.7931 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1457 0.7859 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 -0.7849 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1507 -0.7863 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0774 -1.5437 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0240 -1.5508 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1443 -0.4529 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0674 1.5512 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 1.5499 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1422 0.4554 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 M END $$$$ E05RKR -OEChem-05082103053D 26 27 0 1 0 0 0 0 0999 V2000 -0.7476 2.5568 0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 0.1996 -0.1502 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -0.8522 -0.0876 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.6144 -0.2849 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 0.0131 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 1.4035 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 1.0522 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -1.9401 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.1100 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 1.0486 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -1.2075 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 0.8655 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -1.3906 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -0.3540 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 1.7548 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.1966 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 -1.6711 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 -2.8444 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -1.8535 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 -1.6335 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7033 -0.4944 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 2.0021 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 -2.0261 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 1.6701 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -2.3370 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -0.4964 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$ E05RPP -OEChem-05082103313D 55 54 0 0 0 0 0 0 0999 V2000 6.3765 -0.5281 -0.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 -2.4396 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 -1.8262 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 3.0931 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 2.2210 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.4492 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 -2.8440 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 2.2798 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 1.3551 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -2.0192 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 3.1472 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 -2.2809 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5128 0.5207 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0223 -0.9617 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1739 2.3314 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9044 -1.7404 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3548 -0.4938 -0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 -1.5497 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 3.1846 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6313 -2.8315 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -3.2939 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -1.3771 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -1.0172 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 3.7715 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 3.7215 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6067 2.8738 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 1.5835 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -1.0236 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -0.6167 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 1.6851 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 1.5732 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 -3.2852 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0101 -3.6683 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 2.0135 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4499 0.6846 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 -2.4852 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0069 -2.8143 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 3.8226 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0974 3.7797 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 -3.0912 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 -1.5482 1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3309 1.1942 -0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 0.0605 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -0.1616 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8186 -0.4834 -1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3663 1.6528 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 1.7102 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 -2.4117 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 -0.1874 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6687 -1.9939 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5182 -2.3206 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2702 3.8560 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 3.7923 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 2.5494 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 -0.9456 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 10 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 12 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 M END $$$$ E05WCT -OEChem-05082103083D 14 13 0 0 0 0 0 0 0999 V2000 -0.5630 0.5160 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.5159 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 -0.1506 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9294 0.1505 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 1.1666 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 1.1551 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4825 -1.1551 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -1.1665 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -0.7710 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 -0.7856 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 0.6060 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.7709 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 -0.6062 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 0.7854 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E05YRY -OEChem-05082103093D 15 15 0 0 0 0 0 0 0999 V2000 1.0308 -1.4007 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 2.1867 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 0.9312 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 -0.0160 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.8163 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5915 0.4396 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2636 0.2288 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 -1.2430 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -1.9429 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 0.6020 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 1.3555 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2349 -0.3216 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 -1.7127 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -3.0225 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.4312 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E06BKD -OEChem-05082103133D 49 48 0 1 0 0 0 0 0999 V2000 -4.3995 0.1262 -0.1862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -1.8421 0.2873 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6793 1.5154 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1748 0.7661 -0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 0.3568 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -0.4504 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 -0.4989 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 0.3800 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 0.2968 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 -0.3514 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1217 0.5486 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 -0.5717 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4409 -0.2039 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0565 0.1882 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 0.6770 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 -0.6567 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6556 -0.5303 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7960 0.4566 -0.2095 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1528 -0.2063 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 1.2217 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 0.7455 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -1.2868 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 -0.8891 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -0.8682 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 -1.3763 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6033 0.7837 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 1.2459 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 1.1635 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 0.6815 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8532 -0.7822 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9832 -1.1908 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4510 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 -0.9509 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1257 1.0250 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0521 1.3553 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5046 -1.0185 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4501 -0.6681 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0705 0.5507 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 1.0485 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6628 1.4829 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7168 1.1268 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5820 0.0869 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6838 -0.9147 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7407 -1.3663 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7251 0.9233 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2575 -0.5982 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3022 -1.0186 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7311 1.1259 1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0259 0.3142 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 48 1 0 0 0 0 4 19 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 M END $$$$ E06CNF -OEChem-05082103083D 15 14 0 0 0 0 0 0 0999 V2000 1.9594 0.0117 0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4504 -0.0005 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -0.6763 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 1.4500 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 -0.7850 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 0.0176 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 -1.7134 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -0.6727 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 1.9218 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 1.5073 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 2.0423 0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -0.3250 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 -1.8143 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 -0.8217 -1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 -0.4505 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E06CZB -OEChem-05082103053D 19 19 0 0 0 0 0 0 0999 V2000 2.8088 -0.0004 -0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 0.0002 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 1.2080 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 -1.2079 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 0.0000 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 1.2082 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -1.2078 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 0.0003 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 2.5259 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -2.5263 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 2.1430 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 -2.1464 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 2.6290 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 2.6295 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 3.3659 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 -2.6303 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -2.6297 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 -3.3662 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 -0.9196 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ E06FKO -OEChem-05082103113D 25 24 0 1 0 0 0 0 0999 V2000 1.5938 1.8140 -1.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 1.6756 -0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.4587 0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 0.5190 1.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 -2.1516 -0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 -1.4784 -1.0909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6499 -0.3040 0.4608 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9727 1.0546 0.0305 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3880 0.5432 -0.4935 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8996 -0.0924 0.4916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2197 -0.2558 0.5278 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2315 -1.1138 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 -0.6692 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 1.7567 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.0476 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -0.6145 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -1.1719 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.6340 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -1.5857 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 2.2197 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 2.1699 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 0.8151 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 -0.0565 2.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -2.5785 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 -1.7305 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E06NOK -OEChem-05082103243D 33 35 0 0 0 0 0 0 0999 V2000 -0.9511 -3.1069 0.7711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 2.3925 1.6002 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4304 1.5625 1.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -0.9117 -0.5816 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 -0.4346 0.3089 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 1.5457 1.2270 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1298 0.1878 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 0.1483 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 -0.9127 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9263 -0.9908 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 1.3268 -1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 -2.0363 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 1.2488 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -2.0751 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 2.4112 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8353 2.3722 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -0.4336 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 0.5311 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 -1.4193 -1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 0.5101 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -1.4405 -1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7528 -0.4757 -1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -1.0428 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 1.3968 -1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3398 1.2403 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -2.9437 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 3.2859 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 3.2167 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 -2.2061 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0723 1.2433 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1744 -2.2111 -2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 -0.4934 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4519 -3.7870 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$ E06RNC -OEChem-05082103043D 16 15 0 1 0 0 0 0 0999 V2000 0.2674 -1.1369 -1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -0.6853 1.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 1.3538 0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.1344 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -0.7589 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -0.6706 0.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.0996 -0.6013 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5071 0.3058 0.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9524 0.1710 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 0.1871 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 0.8742 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 1.2793 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 -1.8528 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -1.5583 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 1.3682 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 1.0451 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E06RUT -OEChem-05082103243D 37 41 0 0 0 0 0 0 0999 V2000 4.4643 2.2240 -1.0998 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4692 -2.2166 -1.0980 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 5.3528 1.1303 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -5.3537 1.1282 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 0.0022 -2.5689 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1099 -0.0024 1.3644 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 -0.0007 -3.7199 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 -0.0067 -1.7624 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -0.0013 2.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 0.0021 -0.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 -0.0024 3.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 4.7156 -0.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 -4.7108 -0.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1201 -0.0005 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3812 -0.0012 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 1.2590 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 -1.2585 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 -0.0022 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.1822 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 -1.1792 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 -0.0025 2.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 -0.0008 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 2.5259 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 -2.5263 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 -0.0027 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.3381 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 -2.3338 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 -0.0013 -1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9629 3.6787 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9691 -3.6778 0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 -0.0022 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 3.5848 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -3.5815 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 2.6100 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -2.6125 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 4.4610 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -5.4774 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 5 22 1 0 0 0 0 6 25 1 0 0 0 0 7 28 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 2 0 0 0 0 12 32 1 0 0 0 0 12 36 1 0 0 0 0 13 33 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 23 2 0 0 0 0 17 20 1 0 0 0 0 17 24 2 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 19 26 2 0 0 0 0 20 27 2 0 0 0 0 22 28 2 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 30 1 0 0 0 0 24 35 1 0 0 0 0 25 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 M END $$$$ E06WYP -OEChem-05082103043D 14 13 0 0 0 0 0 0 0999 V2000 0.0235 -1.3493 0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 -0.0044 -0.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -0.0097 -0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.0124 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 0.6980 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 0.6778 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 -0.0966 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 0.7187 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 1.7246 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 1.7136 -0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 0.6670 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 -1.3033 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3408 -0.9155 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 0.4634 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E07AGB -OEChem-05082103053D 51 50 0 0 0 0 0 0 0999 V2000 10.0552 -0.4067 -0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 -0.3800 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 0.4825 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 0.4372 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 -0.3373 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 -0.4239 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 0.4694 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 0.4435 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -0.3550 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -0.4135 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 0.4492 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3759 0.4510 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6724 -0.4264 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 -0.4067 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9397 0.4235 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9118 0.4353 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1889 -0.4420 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.9852 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -1.0812 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 1.1557 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 1.1170 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 1.1075 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 1.0757 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -0.9694 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -1.0208 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -1.0498 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 -1.0992 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 1.1202 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 1.1341 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 1.0527 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 1.1352 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0754 -0.9775 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1364 -1.0471 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 -1.0053 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 -1.1215 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4224 1.1009 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4398 1.1061 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 1.1710 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 1.0283 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7014 -1.0316 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6291 -1.1216 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 -1.0105 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 -1.1240 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0004 1.1041 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 1.0425 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 1.0195 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 1.1218 0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1741 -1.1104 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2733 -1.0531 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0828 0.1857 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8359 0.1705 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 M END $$$$ E07AXS -OEChem-05082103093D 45 44 0 0 0 0 0 0 0999 V2000 8.8022 0.4015 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -0.4432 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 0.3602 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 0.4292 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 -0.4609 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 -0.4239 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8237 0.3984 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8553 0.4027 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 -0.4188 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -0.4538 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4118 0.3942 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4114 0.3717 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6711 -0.4707 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6783 -0.4693 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9281 0.3828 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 -1.1544 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 -1.0376 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 1.0854 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 0.9468 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 1.1255 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 1.0328 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 -1.0675 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 -1.1607 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 -1.1144 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 -1.0410 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8492 0.9744 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 1.1256 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8612 1.0569 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 1.0567 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -1.0425 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1721 -1.1099 0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -1.1384 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -1.0765 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4680 1.0429 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3736 1.0547 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 1.0424 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 1.0305 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6257 -1.1203 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7239 -1.1211 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6848 -1.0811 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 -1.1232 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0176 1.0225 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9191 1.0225 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8164 -0.2547 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5952 -0.1591 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 M END $$$$ E07JCO -OEChem-05082103053D 12 11 0 0 0 0 0 0 0999 V2000 1.8583 0.1559 -0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -0.1560 -0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -0.5149 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 0.5150 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 -1.1646 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -1.1509 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 1.1509 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 1.1646 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 0.7259 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.5417 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 -0.7259 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 0.5415 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E07KZL -OEChem-05082103043D 5 4 0 0 0 0 0 0 0999 V2000 -0.0416 -1.3017 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 0.6377 0.0001 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1387 0.5685 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 0.0956 -0.0004 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9095 -1.5016 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ E07NIW -OEChem-05082103343D 55 58 0 1 0 0 0 0 0999 V2000 3.5733 -0.8713 -0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1158 1.8401 1.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8967 -0.3017 2.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 -1.8291 0.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -2.5269 -2.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -1.3853 0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 3.1323 -0.6073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 3.9170 -0.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 -1.8869 0.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 3.2356 -0.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7739 0.8907 -0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6167 -2.3662 -0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7011 -2.1523 1.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 0.4834 1.2084 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4895 0.4470 -0.2123 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4920 -0.0927 1.2325 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5588 -1.4367 0.5075 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9181 -1.3384 -0.8782 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0319 0.8639 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 -2.6929 -1.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -0.0883 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 2.2024 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 0.3009 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 1.6423 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3605 2.5945 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 -0.7142 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 -0.2900 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0653 2.0665 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 1.0512 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8002 -1.2426 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 1.4401 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1389 -0.8508 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4716 0.4877 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5207 -2.6995 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2073 -1.8301 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0551 1.1124 -0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 -0.0676 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2112 0.6143 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 -2.2021 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 -0.6430 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 -3.4173 -1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 -3.1026 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6753 2.3408 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 0.5526 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -1.1607 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -2.1597 -2.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 -1.4401 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2656 4.0025 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7393 2.4814 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 4.0798 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -2.8444 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4057 -3.3290 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 -3.1202 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 1.8513 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3338 -3.0236 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 16 1 0 0 0 0 3 44 1 0 0 0 0 4 17 1 0 0 0 0 4 45 1 0 0 0 0 5 20 1 0 0 0 0 5 46 1 0 0 0 0 6 21 1 0 0 0 0 6 47 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 25 1 0 0 0 0 8 50 1 0 0 0 0 9 26 2 0 0 0 0 10 28 2 0 0 0 0 11 33 1 0 0 0 0 11 54 1 0 0 0 0 12 35 1 0 0 0 0 12 55 1 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 M END $$$$ E07QDG -OEChem-05082103073D 22 21 0 1 0 0 0 0 0999 V2000 1.1033 -1.2860 1.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -1.0509 -0.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 1.7545 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 0.1905 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5643 1.0793 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 0.8408 0.2948 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3423 0.3183 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4509 -1.2719 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 -0.5747 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 0.5084 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 0.9573 -1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 2.1273 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 0.9880 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 -0.0803 1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5447 1.3661 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 -0.2347 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -1.3871 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 -1.7963 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -1.8167 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 2.7159 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 1.6785 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 -2.2013 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E07QDW -OEChem-05082103213D 6 5 0 0 0 0 0 0 0999 V2000 -1.6059 -1.4645 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6063 1.4642 0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 1.4646 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -1.4642 0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6718 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M END $$$$ E07RWU -OEChem-05082103093D 53 52 0 0 0 0 0 0 0999 V2000 6.0504 0.3657 -0.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.1223 1.4659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7154 -0.0878 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 -1.1082 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 -0.5897 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 -0.5952 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 0.4074 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -1.6297 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6152 -0.1232 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 -1.1290 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7038 0.8828 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 -2.1031 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0928 0.3694 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 -1.5923 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1741 1.3805 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 -0.3759 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 1.5367 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9766 1.8067 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 2.7070 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 0.1115 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 0.8616 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -1.3226 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 -2.0508 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0961 -0.8150 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 -1.5323 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 0.3366 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 -0.3613 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0366 1.3348 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 0.6664 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -2.5688 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -1.8480 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7912 -1.0694 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6637 -0.3358 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -0.9230 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4176 -0.1719 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 1.0781 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5146 1.8364 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3539 -2.3365 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 -3.0457 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2973 -0.5716 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1315 0.1575 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5017 -2.3776 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 -1.3477 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0166 2.3223 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1834 1.5926 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1589 0.9923 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6813 1.3795 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9547 1.9531 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4204 2.6924 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 0.9480 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 2.8774 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 3.6263 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 2.5045 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M END $$$$ E08BBO -OEChem-05082103123D 26 26 0 0 0 0 0 0 0999 V2000 -2.7046 0.2012 0.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.0882 -0.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 1.6656 -0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 -1.9439 -0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3955 -0.1106 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 -0.3072 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 -0.9001 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 1.2716 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 1.0750 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 1.8644 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -0.7286 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 -0.2861 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9968 0.8831 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.5962 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.9787 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 1.9255 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 2.9423 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 -0.7978 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1747 -0.9903 0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 0.5460 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7847 1.4156 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 1.6049 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -2.2398 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -0.7764 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -2.1910 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2463 2.6256 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$ E08DIP -OEChem-05082103043D 15 15 0 0 0 0 0 0 0999 V2000 -2.3940 1.1116 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -1.2284 -0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -1.1814 0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2969 0.0397 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 1.2273 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -1.1510 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 1.1886 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 0.0472 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -0.0535 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 2.1930 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -2.1309 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 2.1016 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -0.1381 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -2.0884 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -1.2053 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 M END $$$$ E08FQA -OEChem-05082103043D 4 3 0 0 0 0 0 0 0999 V2000 0.7247 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 -0.7000 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8233 -0.6175 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E08HTI -OEChem-05082103043D 16 16 0 0 0 0 0 0 0999 V2000 2.3679 -1.0991 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -0.3077 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 -1.0422 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -0.3826 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5181 -1.0126 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0682 1.7462 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.0116 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0453 -2.1292 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 1.6700 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 -1.9685 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 -1.2032 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 -0.4176 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 2.8317 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 1.5375 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 -0.4826 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E08NVW -OEChem-05082103193D 46 45 0 0 0 0 0 0 0999 V2000 5.7501 -0.0516 -0.2364 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1176 -1.3405 0.5145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -0.3415 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 0.3850 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 0.5071 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 -0.4400 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8151 -0.2155 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6189 0.3575 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 0.6408 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8943 -0.4434 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3392 -0.1188 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1786 0.3580 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 0.7030 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4129 -0.5038 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9382 0.6842 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1387 -0.1806 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 -0.6500 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -1.2590 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 1.2744 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0404 0.7516 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.8056 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 1.4302 -0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -1.3065 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -0.8339 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -1.1320 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 -0.5259 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 1.2512 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 0.7085 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 0.9327 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 1.5630 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9056 -1.3292 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8688 -0.8086 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 -0.4093 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3851 -1.0568 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2032 1.2123 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1976 0.7590 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 1.6215 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 0.9780 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4322 -1.3474 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3203 0.0877 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4379 -0.8997 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 0.9569 1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 1.5942 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1003 -0.5097 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 0.3633 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8966 -1.8721 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 M END $$$$ E08RJB -OEChem-05082103093D 22 22 0 0 0 0 0 0 0999 V2000 -2.1095 -0.3549 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -0.7259 -0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 1.9102 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 0.3608 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 1.3441 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 -0.9877 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 0.7414 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -0.1093 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 0.9788 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -1.3531 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 -1.4348 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 2.4003 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 -1.7872 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 0.4641 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 0.4636 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 1.7543 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -2.4050 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 -1.2838 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9757 -2.0266 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9772 -2.0261 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 0.0798 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E08VAJ -OEChem-05082103053D 19 19 0 0 0 0 0 0 0999 V2000 2.2627 -0.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 1.7917 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 -0.3030 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 -0.2634 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 -0.1985 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1177 -0.9281 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 1.1309 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 1.1959 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 1.8606 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -0.8912 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -2.4077 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -2.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 1.7848 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 2.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.9940 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -2.7702 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -2.7701 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 -2.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1681 2.7496 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E08YBT -OEChem-05082103123D 16 15 0 0 0 0 0 0 0999 V2000 2.1193 1.2947 -0.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9193 0.8702 0.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -1.2806 -0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 -0.5240 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.5350 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 0.0812 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 -0.8948 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -0.0817 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 -1.1566 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -1.1644 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 1.1700 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4757 1.1656 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 -1.4933 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 -1.5419 -0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 -0.3502 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 0.4767 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E09BVZ -OEChem-05082103093D 9 8 0 0 0 0 0 0 0999 V2000 1.2818 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 0.1063 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 0.1063 0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 1.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 M END $$$$ E09DGH -OEChem-05082103083D 35 36 0 0 0 0 0 0 0999 V2000 1.7294 0.6551 1.6096 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 1.8551 0.8355 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 0.0582 0.2894 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -0.6599 0.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 -1.3153 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7244 0.9211 -0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 -2.2312 1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 -1.7939 -1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 2.3577 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4634 0.8426 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 0.5067 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 0.8125 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 -0.5008 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4876 1.1339 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 -1.5271 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3152 0.0996 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8612 -1.2144 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -1.4430 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 0.6285 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -3.2719 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0257 -2.1949 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 -2.0536 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 -1.3706 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -2.8810 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -1.5799 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 2.9494 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 2.8697 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 2.4138 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1963 -0.1433 -2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 1.4224 -2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 1.3266 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8488 2.1575 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2185 -2.5568 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3269 0.3268 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -2.0058 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 11 2 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 M END $$$$ E09EXY -OEChem-05082103043D 8 7 0 0 0 0 0 0 0999 V2000 -0.3035 1.2890 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -0.8878 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -0.3516 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 -0.0496 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 0.0570 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 0.0676 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -1.4356 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2598 1.5081 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E09FSQ -OEChem-05082103223D 33 33 0 1 0 0 0 0 0999 V2000 0.8638 -1.6470 1.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 1.1280 -1.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 3.4099 0.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 -2.1021 -1.1105 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -2.3571 -0.5509 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 0.9059 1.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4192 -0.7787 -0.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2118 1.2685 -0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -0.0082 -0.0605 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -0.4921 0.3604 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -0.2865 -0.2471 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.4872 0.5991 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2183 -0.6895 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4767 0.6831 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 2.5398 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -0.7970 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 -1.4002 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 0.2524 0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5737 -0.1165 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 1.0475 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 2.9842 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0393 2.3753 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 -0.3123 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 -0.8747 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 -1.9179 1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 -0.8423 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -0.8431 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 4.2467 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 -2.4535 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 -2.9502 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 -0.5482 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8097 0.9515 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3327 -0.6482 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 18 2 0 0 0 0 7 19 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$ E09IIR -OEChem-05082103163D 38 37 0 0 0 0 0 0 0999 V2000 -3.6209 -0.7547 -0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 0.7506 -0.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.6215 1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 0.6385 1.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 -0.8058 -1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 0.7244 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -1.2936 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 1.2110 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -0.8535 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 0.8252 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3533 0.2284 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.1658 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 1.5954 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8116 0.1948 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 -1.5626 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8235 -0.1109 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 -1.2044 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 -1.2193 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4612 1.1575 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 1.1065 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.9093 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -2.3879 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 0.7917 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 2.3030 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 -0.0265 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3432 0.1478 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3433 2.3859 0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7322 1.6771 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 1.8008 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4110 0.9193 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2327 -0.8040 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9071 0.4106 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4342 -2.3059 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 -1.6482 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 -1.8350 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4558 -0.7836 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 0.9079 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9069 -0.3833 -0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 M END $$$$ E09KDO -OEChem-05082103103D 30 30 0 0 0 0 0 0 0999 V2000 -2.4469 -0.7440 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 1.5546 0.1905 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -0.6458 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -0.0145 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5866 -2.0713 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 0.1646 -1.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 0.0915 0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -0.9544 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 1.2327 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 0.4410 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 -0.8563 0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 1.3308 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 0.2862 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4709 0.1849 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 -0.5972 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.9862 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 -2.5892 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 -2.6644 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -2.0998 -1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 1.2431 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 -0.1378 -2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 0.0119 -2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -1.8462 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 2.0535 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 -1.6688 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 2.2206 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0155 0.3627 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 -0.4306 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0246 -0.3074 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9588 1.1373 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M END $$$$ E09OPU -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 -1.3915 -0.5796 -0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 -0.5796 0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 0.5796 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 0.5796 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 1.4681 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 0.5356 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 1.4625 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 0.5540 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 -0.5340 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 -1.3546 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E09WWS -OEChem-05082103243D 86 87 0 1 0 0 0 0 0999 V2000 -0.0840 -1.6877 -0.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0148 0.1875 -1.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.0776 0.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3029 -2.7089 0.8713 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7804 -2.5931 1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -2.4888 2.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 -2.3478 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1109 -1.9440 -0.6989 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1513 -2.2671 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -2.4426 1.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 -0.5731 -1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0795 -4.0851 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.5722 0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.2578 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 0.5984 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5816 1.9610 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 3.1840 -0.0469 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0420 -3.0800 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 2.9794 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 -1.0888 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -0.4421 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 2.7549 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 0.0436 -1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7628 -0.2826 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 4.4328 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 2.4963 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -1.4220 1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -0.0809 -2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 2.1903 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9377 0.9178 -2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 1.8872 2.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8624 3.3712 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 1.4270 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6922 1.8555 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 -1.7356 1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -3.4812 1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.5263 2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -3.2653 2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 -3.1480 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 -1.4068 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -1.9147 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 -3.2308 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 -1.5365 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -2.0546 2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4211 -3.4517 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5244 -0.3956 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8162 -0.5844 -1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -4.8968 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 -4.2163 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 -4.2144 -0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 0.4308 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8668 0.6244 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 1.8994 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3357 2.1360 -1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5882 3.3180 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 -2.9561 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -4.0563 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0919 -3.0905 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 2.1497 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6766 3.8670 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 3.6353 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 1.9028 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 4.3243 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 5.3140 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 4.6281 -1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 1.6472 2.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 3.3619 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6967 -0.7793 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 -1.2990 0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 -2.4700 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 0.9797 -2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6961 -0.2286 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 -0.6880 -3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 1.3094 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 0.5393 -3.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 0.9632 -3.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 1.9385 -2.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 2.7450 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 1.6378 2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 1.0341 3.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 4.3075 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 3.4970 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9294 3.2080 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4099 1.1190 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7781 1.9682 -1.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9065 2.8192 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 33 1 0 0 0 0 3 33 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 10 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 22 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 M END $$$$ E09YDF -OEChem-05082103213D 92 94 0 1 0 0 0 0 0999 V2000 -2.9482 2.4477 0.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 0.7071 0.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9818 2.8865 0.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 1.4743 0.3241 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6166 2.6812 -0.9618 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1991 1.3538 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 3.3533 -1.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7306 0.4958 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8282 -1.7645 0.2694 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3388 -0.8103 -0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4362 2.5223 -2.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -2.2029 1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7784 3.6348 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 2.0529 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 2.0354 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 -2.9131 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 -3.3645 1.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -4.0298 0.7187 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9574 -1.0797 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 1.5940 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0914 1.5977 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2918 -2.9951 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -3.5543 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 1.1542 1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 1.1488 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 -4.7957 1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 -2.5142 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 1.5662 -2.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 1.5967 2.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 -3.0629 -2.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 0.6800 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -4.0857 -3.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -1.9580 -2.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2299 1.7041 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6063 1.1480 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -0.1624 1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 1.9183 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 -0.6554 1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1632 0.1955 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9813 1.5362 -2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 0.7595 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3756 4.3333 -1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 3.5337 -2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4845 1.0529 0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 0.2551 0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2442 -2.6573 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6224 -1.3255 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1902 -0.5647 -1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 3.1547 -2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 1.6601 -2.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0828 -2.8926 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2819 -1.3508 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 3.8347 -1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3967 4.5931 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4254 3.2481 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -2.2400 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9226 -3.7837 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -2.5055 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 -4.0711 2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 -4.7604 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4311 -1.7988 1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7332 -0.7004 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5929 -0.2518 1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 -2.4689 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 -2.2332 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 -4.0995 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 -4.2852 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0281 -5.4802 2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 -5.4070 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 -4.1100 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 -1.9757 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -1.7712 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 2.5686 -2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 0.8863 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 1.2064 -2.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 0.5796 2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 2.2342 2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 1.9856 3.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 -3.5703 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 0.0412 3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 0.0663 2.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 1.5349 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 -4.4203 -3.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 -4.9788 -2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -3.6610 -3.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 -1.2238 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -2.3701 -3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 -1.4293 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 -0.8155 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5804 2.9474 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3477 -1.6731 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1948 -0.1406 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 25 1 0 0 0 0 2 34 1 0 0 0 0 3 34 2 0 0 0 0 4 37 1 0 0 0 0 4 39 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 11 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 14 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 16 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 25 2 0 0 0 0 20 28 1 0 0 0 0 21 24 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 30 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 M END $$$$ E09ZKW -OEChem-05082103273D 12 11 0 0 0 0 0 0 0999 V2000 1.8166 -0.3326 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -0.0859 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -0.4747 -1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 -1.2906 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 1.2264 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 1.1186 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 0.0629 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.2241 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 2.2034 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.9971 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -1.1057 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -0.9532 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E09ZWX -OEChem-05082103093D 53 52 0 0 0 0 0 0 0999 V2000 -3.4847 -1.6964 -0.9513 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 3.7104 0.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6788 -2.4930 0.9371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 0.0337 -0.1141 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 0.1592 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 -0.5763 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 -0.4920 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 0.1074 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3574 0.2830 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -0.5945 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6427 -0.3673 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 0.1644 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8816 0.3873 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1666 -0.2814 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5664 -0.5943 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8551 1.3367 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0729 -0.5693 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4008 0.4467 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8565 2.4659 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5914 -1.4301 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 0.2041 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7808 1.1950 -0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -0.6521 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 -1.6017 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 -1.5147 0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1347 -0.5738 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2574 1.1285 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 0.2062 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 1.3166 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 0.3239 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -1.6000 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9758 -0.7324 -1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 -0.3885 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6894 -1.4080 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2896 1.1386 -0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 0.3116 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8818 0.4246 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 1.4233 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1985 -1.3223 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 -0.2997 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 1.4780 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 1.3834 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9302 -1.1981 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7915 0.2154 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4304 0.4525 1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -0.0473 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4160 1.4838 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9441 2.4774 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7081 2.3759 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6994 -0.8510 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5624 -1.8608 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9684 4.4064 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0457 -3.0240 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 19 1 0 0 0 0 2 52 1 0 0 0 0 3 20 1 0 0 0 0 3 53 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 M END $$$$ E09ZXG -OEChem-05082103053D 31 31 0 1 0 0 0 0 0999 V2000 0.4167 2.3656 0.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -0.0351 0.4283 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0704 1.1567 -0.1560 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1195 -1.3636 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -0.2825 -0.3743 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5705 1.0447 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 -1.4666 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 0.0476 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 -0.3844 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.0757 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -0.0067 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 0.0011 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 1.2366 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -2.2170 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -1.4865 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -0.3149 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 1.8891 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 1.1543 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -2.4073 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -1.5097 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 0.9985 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 0.4445 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -1.3190 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -0.3576 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7722 -2.0566 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.8974 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 -1.1242 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -0.9567 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 0.0983 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.8109 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 2.3126 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E0A0TR -OEChem-05082103083D 22 22 0 1 0 0 0 0 0999 V2000 -0.3286 1.4380 -0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.0541 -0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 -2.4030 0.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 -0.1633 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7611 0.7979 1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 2.2710 -0.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -0.9900 0.0233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7347 -1.2176 -0.1865 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1477 0.3466 -0.5965 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5191 -0.0528 0.3875 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5970 0.7191 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 1.3083 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -1.0294 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 -1.3777 -1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 0.3040 -1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 -0.0770 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 -0.0156 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 1.6992 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -1.9932 -0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 -3.1348 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 -0.1865 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 1.4599 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0A1CS -OEChem-05082103043D 4 3 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 0.2906 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 0.6896 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -0.8701 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END $$$$ E0AA3N -OEChem-05082103063D 19 19 0 0 0 0 0 0 0999 V2000 2.5403 0.9305 -0.7926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5906 -0.5680 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.2714 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.4006 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 1.0257 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -1.2908 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 1.3035 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -1.0130 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 0.2841 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 -1.5876 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 0.0978 1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 -1.0805 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 -0.6024 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 1.8297 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -2.3050 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 2.3133 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -1.8064 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 0.5003 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 1.5262 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 M END $$$$ E0B2KS -OEChem-05082103053D 13 13 0 0 0 0 0 0 0999 V2000 -2.3622 0.0001 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0011 0.0000 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 1.2080 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3038 -1.2079 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 1.2080 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 0.0000 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 2.1559 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -2.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 2.1484 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 -2.1486 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -0.0001 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 0.9203 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0B2SX -OEChem-05082103073D 8 7 0 0 0 0 0 0 0999 V2000 -0.6785 -1.0884 -0.1258 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 1.0886 -0.1258 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 0.0000 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -0.0001 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 0.0000 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -0.0002 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 0.8922 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 -0.8925 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0BA0I -OEChem-05082103233D 57 56 0 0 0 0 0 0 0999 V2000 11.2572 0.4647 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 0.2994 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -0.4850 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 -0.4600 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 0.2550 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 0.3570 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -0.5694 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 -0.4475 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5154 0.2298 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 0.3477 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8064 -0.5437 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 -0.4321 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1202 0.1856 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2752 0.3615 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 -0.3947 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2130 1.4836 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3540 -0.6775 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8645 0.4137 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1361 -0.3881 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 1.2063 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 0.6372 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 -1.4087 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.7938 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 -0.7694 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 -1.3784 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0163 1.1836 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 0.5458 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 1.2743 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 0.6591 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -1.4865 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2384 -0.8718 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 -0.7886 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 -1.3473 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4905 1.1460 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5144 0.5368 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 1.2697 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 0.6503 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7799 -1.4836 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8145 -0.8288 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9523 -0.7312 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -1.3558 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1120 0.4431 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2796 0.7095 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2592 1.2622 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 -0.7768 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6121 -1.2741 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1128 1.2951 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 2.1999 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1797 1.9722 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4258 -0.9511 1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3114 -1.6015 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2705 -0.1464 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 0.8233 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8563 1.2859 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2078 -1.2261 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -0.7740 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0531 -0.0704 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 M END $$$$ E0BG2A -OEChem-05082103163D 56 55 0 0 0 0 0 0 0999 V2000 -10.7034 -0.6004 0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6697 1.4089 -0.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9327 -0.4399 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 0.4122 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 0.3176 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -0.3245 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 0.5507 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 -0.5021 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0471 -0.1875 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 0.3232 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 0.6638 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 -0.5482 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 -0.0836 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5043 0.2315 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7892 -0.5943 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0669 0.2473 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7718 -1.3308 -0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7991 0.8580 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3321 -0.6015 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6058 0.1995 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 -0.8197 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -1.3151 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 0.7508 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 1.3125 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 0.7529 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 1.1625 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4747 -0.7015 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5605 -1.2004 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7491 0.9287 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 1.4258 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -1.3208 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 -0.9654 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0691 -1.0836 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 -0.5279 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 0.7927 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 1.1309 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 1.0131 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2503 1.5592 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 -1.0339 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -1.3496 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6324 -0.3957 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 1.0230 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 0.7388 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8015 -1.3574 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7756 -1.1281 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0563 1.0144 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0843 0.7814 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6567 -1.0907 -1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 -2.0976 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7621 -1.7786 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8405 1.1958 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7244 1.7427 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7456 0.3582 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3529 -1.0773 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3299 -1.3823 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5330 -0.0893 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 56 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 M END $$$$ E0BI3X -OEChem-05082103263D 39 39 0 1 0 0 0 0 0999 V2000 -1.8337 2.9115 -0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 -0.0281 -1.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 2.0358 1.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 0.4131 -0.4127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 0.9708 1.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 0.1671 0.0723 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -2.5588 0.2571 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 1.0282 -0.6567 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3701 0.2130 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4857 -1.2131 0.4761 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3150 -0.6407 -0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -0.2954 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 2.0398 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 -1.2164 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 -1.9395 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 -0.1063 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -2.7271 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3947 -0.8940 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5756 0.1586 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -2.2044 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 3.8858 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 1.6211 -1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9631 0.8843 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 -0.4345 -2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 -0.1236 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -0.9132 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -1.9106 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 -1.5215 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 -2.3603 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 0.9091 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9541 -2.5729 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 -2.8319 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -3.7484 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3463 -0.4877 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -2.8181 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 3.3922 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 4.5115 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 4.5201 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 1.3139 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$ E0BS9U -OEChem-05082103253D 24 23 0 1 0 0 0 0 0999 V2000 -0.0176 -1.3519 0.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 1.2088 1.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.3308 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 0.6445 -1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 -0.6031 0.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 -1.5079 -0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -0.0924 -0.2555 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6452 0.9954 0.1914 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8171 0.1651 0.1072 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1330 0.7333 -0.0781 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7599 -0.9702 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -0.5525 0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -0.2053 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 1.9299 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 0.3780 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 1.5554 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 -1.1463 -1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 -1.9050 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -1.3078 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 0.3906 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 -0.5851 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 1.1487 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 0.6141 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 -0.4767 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0BT1Y -OEChem-05082103313D 39 40 0 1 0 0 0 0 0999 V2000 -2.4611 0.0471 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 0.4643 0.2752 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5923 -0.9178 -0.3741 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9999 -1.4224 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 1.7655 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 0.3501 1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 0.4864 -1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 -1.6514 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 2.3694 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.8940 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 1.3838 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 -0.7632 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -2.0718 1.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 0.5672 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 1.2868 1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 0.5266 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 -0.8503 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -2.0931 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 -1.8914 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 2.5265 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5394 1.6181 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7104 1.4244 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 -0.1685 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 0.0393 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.2604 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -0.0240 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 1.5607 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 2.7920 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 3.2137 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -2.8355 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 -2.0420 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 -0.8858 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 -0.8521 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -1.8934 2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -2.5964 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 0.7462 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7954 0.9112 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 2.2787 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 0.6409 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 M END $$$$ E0C3AX -OEChem-05082103053D 38 37 0 0 0 0 0 0 0999 V2000 -7.0213 0.6218 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 -1.3708 0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.3981 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 0.5029 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 0.4275 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 -0.2736 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -0.4748 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 0.6286 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 0.2988 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 -0.1996 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8157 -0.5481 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6367 0.6695 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 0.2632 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9042 -0.1474 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -1.0103 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 -1.0856 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4974 1.1286 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 1.1842 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 1.0554 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 1.1002 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 -0.9432 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 -0.9112 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1726 -1.1663 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 -1.0899 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.2997 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 1.2574 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5634 1.0347 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 0.8734 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 -0.8906 0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 -0.8210 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -1.3046 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8287 -1.0886 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 1.2980 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6699 1.3151 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1657 1.0084 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1327 0.7853 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9696 -0.3920 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8388 0.0803 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 38 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 M END $$$$ E0C3YK -OEChem-05082103083D 13 12 0 0 0 0 0 0 0999 V2000 0.4529 -1.3146 0.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.7849 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 -0.0855 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.0269 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 0.6421 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 1.4081 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 1.4368 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 0.6357 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 -0.6824 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -0.6561 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 1.2660 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 -0.0811 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 1.2589 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 M END $$$$ E0C5QF -OEChem-05082103073D 14 13 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 1.3473 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 -0.2109 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 -1.1365 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 -1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 1.4007 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 2.1671 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 1.5147 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -0.2192 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 0.5872 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 -1.1634 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 -1.1816 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -2.1020 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.0036 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E0C6OP -OEChem-05082103123D 23 22 0 1 0 0 0 0 0999 V2000 -1.2679 -0.2171 0.4984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 -0.0992 -0.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4237 0.5423 0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.4928 0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 1.0039 0.0511 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7911 0.9993 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 1.1097 -1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.3600 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -0.2348 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 -1.8114 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -1.4256 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 1.8478 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 1.9378 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 0.8761 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8982 1.2749 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 1.9490 -1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 0.1924 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -2.3608 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 -2.2147 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 -1.9197 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -1.2900 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 -2.3313 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 -1.5264 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E0CM2S -OEChem-05082103093D 16 15 0 0 0 0 0 0 0999 V2000 -0.6128 0.3157 0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -0.1923 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.4226 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -0.5439 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 0.5459 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 0.2972 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6555 -1.0661 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -1.0701 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -1.1690 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -1.1916 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 1.2135 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 1.1736 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -0.3346 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 0.9377 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 0.9597 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 -0.7152 0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0CR4U -OEChem-05082103053D 17 17 0 0 0 0 0 0 0999 V2000 -2.6893 -1.1938 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8521 1.0734 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -0.0257 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6965 0.0353 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.0053 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 1.2330 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -1.1828 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 1.2127 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -1.2032 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 0.0564 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 2.1924 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 -2.1384 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 2.1527 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -2.1585 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9966 -0.9084 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 0.8424 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -1.1685 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E0CU0W -OEChem-05082103083D 14 13 0 1 0 0 0 0 0999 V2000 2.2571 0.6256 -0.6447 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -1.4188 -0.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 0.3874 -0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 -0.3683 0.4918 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3410 -0.0458 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 0.8199 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -0.7734 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8629 -0.9574 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 0.6784 1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.6266 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 1.2035 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 -1.0944 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 0.7576 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 1.1623 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E0CW9H -OEChem-05082103113D 44 43 0 0 0 0 0 0 0999 V2000 -8.2750 0.6505 0.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2651 -1.3804 -0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 0.4532 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.3743 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 -0.4439 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 0.5253 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 0.3867 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -0.2518 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5548 -0.4630 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3605 0.5959 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 0.3143 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -0.2336 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1431 -0.5389 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 0.6403 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 0.2795 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -0.1599 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 1.0651 0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 1.1416 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 -1.0012 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 -1.0480 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -1.1183 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9806 -1.0703 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 1.1748 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 1.1838 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 1.0359 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 1.0462 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 -0.9476 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 -0.8707 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -1.1528 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 -1.0878 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 1.1834 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3663 1.3129 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 0.9838 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8516 0.9603 -0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6475 -0.8643 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6718 -0.9152 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 -1.2222 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1946 -1.1615 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 1.2598 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8909 1.2962 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5283 0.9508 0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4182 0.8848 -1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2931 -0.3798 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1106 0.1378 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 44 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 M END $$$$ E0CZ6G -OEChem-05082103073D 8 7 0 0 0 0 0 0 0999 V2000 1.4256 0.8888 0.5472 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 0.7901 0.5450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 -1.6797 0.5451 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.0009 -1.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -0.5388 -1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 1.0210 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9025 -0.4788 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0D0FA -OEChem-05082103263D 18 17 0 1 0 0 0 0 0999 V2000 0.9400 -0.9642 -1.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -1.4335 0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 0.4937 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 0.9795 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -0.4595 0.2498 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7316 -0.1953 0.5195 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5975 0.8091 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3557 0.7703 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -1.2331 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 0.1899 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 1.5822 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 1.2206 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 1.7461 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 0.3529 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -1.7578 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -1.2397 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 0.1220 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7347 1.3774 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0D0QF -OEChem-05082103043D 20 19 0 1 0 0 0 0 0999 V2000 2.2858 0.9701 0.2797 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 1.6402 0.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 0.3693 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 -1.8775 0.4986 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -0.8111 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -0.6533 0.3686 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2656 0.4223 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 0.4754 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -0.5355 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -1.6832 -0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -1.0435 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -0.4839 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 1.2591 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 0.2090 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -1.8082 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -2.6701 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 -1.3256 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -0.3183 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.8794 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 2.3619 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0D0QU -OEChem-05082103073D 5 4 0 0 0 0 0 0 0999 V2000 0.8836 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 -0.6985 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 1.0074 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2406 -0.3089 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ E0D6JV -OEChem-05082103043D 12 11 0 1 0 0 0 0 0999 V2000 -1.3875 1.1182 0.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -1.0368 0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 1.1148 -0.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -0.1118 0.4002 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3669 -1.1626 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 0.0781 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 -0.3748 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 -0.8968 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 -1.2376 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -2.1472 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 1.7604 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 -0.9049 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END $$$$ E0D8OB -OEChem-05082103073D 20 20 0 1 0 0 0 0 0999 V2000 -1.0689 -1.6919 -0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -1.1223 0.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 0.1409 1.1624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 1.3693 -0.2178 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -0.3365 -0.6825 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 1.3004 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 0.6397 -0.4567 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9671 0.6020 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7498 -0.7917 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 0.3150 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 -0.4249 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 1.3196 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 2.3450 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3124 0.6416 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 0.1943 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 0.5299 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 2.3346 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 1.4198 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -0.8810 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -2.6142 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 10 16 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E0D8PK -OEChem-05082103243D 37 41 0 0 0 0 0 0 0999 V2000 4.2944 2.2354 -0.7201 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 -2.2278 -0.7178 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4207 -0.0018 1.6968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 0.0018 -0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 -0.0032 2.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 4.7391 0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 -4.7349 0.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -0.0009 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 -0.0014 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 1.2586 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -1.2589 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 -0.0026 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 1.1818 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 -1.1795 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 -0.0031 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 -0.0009 -1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4052 2.5254 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -2.5267 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -0.0030 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 2.3378 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -2.3341 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 3.6783 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -3.6782 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -0.0014 -2.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 3.5845 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 -3.5819 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2454 -0.0023 -1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 0.0000 -2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 2.6293 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -2.6325 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -0.0039 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 4.6457 0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 -4.6425 0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 -0.0009 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1824 -0.0026 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3336 4.5126 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -5.4902 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 6 25 1 0 0 0 0 6 36 1 0 0 0 0 7 26 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 19 27 1 0 0 0 0 19 31 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 26 1 0 0 0 0 23 33 1 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 27 35 1 0 0 0 0 M END $$$$ E0DR4N -OEChem-05082103063D 24 24 0 1 0 0 0 0 0999 V2000 0.8173 0.9667 -0.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.6649 -1.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -1.9912 0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 0.7905 0.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 2.5840 -0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 0.6143 0.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -1.3703 0.1503 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1482 -0.9793 0.5197 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2348 -0.2110 0.4651 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5386 0.3496 -0.1266 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4795 1.4188 0.1511 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6692 -0.5074 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -2.2817 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -0.9039 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 0.0165 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 0.2205 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 1.6989 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 -0.6761 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 -1.3811 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -0.8344 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -1.6951 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 1.6458 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4254 3.3442 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 1.3820 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0DS2Q -OEChem-05082103093D 30 29 0 1 0 0 0 0 0999 V2000 -0.3018 2.3198 -0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 -0.0423 -1.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 1.7714 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 0.2478 1.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 -2.0373 0.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 -0.8347 -0.1839 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 1.0188 0.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9314 -0.0167 -0.2883 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5394 0.7493 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3761 0.2704 0.1756 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0536 -0.6129 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 -0.7318 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 -2.1018 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.0375 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 -1.0120 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.8147 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 1.2650 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.4192 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -0.6437 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 -0.7453 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4025 -0.4821 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3563 2.9512 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 0.8523 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 -0.0753 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.7353 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 1.0673 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 -2.9431 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 -2.1229 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 -2.2500 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -2.0033 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END $$$$ E0DW0Y -OEChem-05082103243D 47 47 0 1 0 0 0 0 0999 V2000 -2.7234 -0.8806 0.9248 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -1.2801 -0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8434 1.6661 -2.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8198 2.7555 0.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -0.9061 -2.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1016 -0.0699 3.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4776 -2.5915 -1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 0.1226 1.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 -1.2944 0.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 1.6018 -1.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9001 2.2986 -0.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9232 0.9803 -1.2742 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2091 1.3929 0.1712 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1076 -0.5258 -1.4493 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4465 0.5042 1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3469 -1.3159 -0.3832 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8372 0.7941 2.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2537 -1.9788 0.1696 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2517 -2.0237 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 -0.5554 0.1324 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3673 -0.5263 -0.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9635 0.8956 -0.1072 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4803 0.9369 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9202 1.2948 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2894 1.3326 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1758 -0.7673 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 0.6717 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6522 -2.3659 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 1.8244 2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 0.6062 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -2.5872 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 0.0054 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 -1.6242 1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -3.0646 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 -1.0172 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7442 1.3931 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 3.0689 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.3748 -3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 1.4489 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 0.4420 0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 0.4695 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0021 -2.0678 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 -0.9837 3.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.4252 2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.8083 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.8376 -0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 2.7284 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 36 1 0 0 0 0 4 13 1 0 0 0 0 4 37 1 0 0 0 0 5 14 1 0 0 0 0 5 38 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 18 1 0 0 0 0 7 42 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 9 21 1 0 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0E1US -OEChem-05082103073D 5 4 0 0 0 0 0 0 0999 V2000 -1.4594 -0.9208 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -0.9210 -0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 0.8843 1.0887 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8847 -1.0884 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0E2WT -OEChem-05082103053D 17 17 0 0 0 0 0 0 0999 V2000 1.2911 -2.1013 -0.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 1.4135 0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 1.9236 -0.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 0.0948 0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 0.1521 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 -1.2205 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 1.0374 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 0.5500 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0535 -1.7077 -0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 -0.8224 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 0.6806 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 2.1094 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 -2.7744 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1451 -1.2079 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 -3.0053 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 2.3225 0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 2.2717 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ E0E4RQ -OEChem-05082103213D 43 44 0 1 0 0 0 0 0999 V2000 2.2684 1.7982 -0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8245 -1.9084 -1.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 -1.2304 -0.9173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1391 2.9661 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6235 2.0128 0.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8354 1.7465 0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -1.4707 -1.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -1.4325 -1.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 0.1963 0.0704 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 1.1964 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 -0.6914 0.5273 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 -0.6150 0.5737 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 2.2704 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1582 -0.2206 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -1.9633 1.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -1.9325 1.2208 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 0.0067 -0.3918 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8336 0.1037 -0.3357 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3925 1.4485 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 -0.8153 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5524 1.5477 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 0.9969 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -0.9187 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9175 2.3720 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -1.3832 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8598 -1.3357 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -2.7444 1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -0.4588 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 0.4494 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -0.6465 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 -0.6185 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 3.2825 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0696 -0.6296 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -1.7894 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -0.6315 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 2.0743 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6545 3.0938 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -3.4900 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -3.2496 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 -1.8088 2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 -1.7672 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 -1.3678 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 3.0860 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 42 1 0 0 0 0 4 24 1 0 0 0 0 4 43 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 32 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 33 1 0 0 0 0 15 25 1 0 0 0 0 15 27 1 0 0 0 0 15 40 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$ E0E5OW -OEChem-05082103043D 14 14 0 0 0 0 0 0 0999 V2000 2.7558 0.0000 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 -0.0001 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 0.0000 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6976 -1.2080 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6974 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 1.2079 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 -2.1522 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -2.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 2.1559 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 2.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 0.9202 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -0.9203 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0E6QG -OEChem-05082103213D 25 24 0 1 0 0 0 0 0999 V2000 0.0013 -0.0653 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 -0.9919 1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 -0.9931 -1.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 -0.2184 -0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7987 -0.2173 0.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -0.1571 -0.1394 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4060 -0.1575 0.1395 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1745 0.7363 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 0.7350 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 0.6644 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6872 0.6647 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.8262 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.8296 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 1.3383 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 1.4054 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 1.3411 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 1.4030 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 1.3540 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8245 1.2362 0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 1.3422 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 1.2449 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2528 -1.5461 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 -0.4186 -1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -0.7115 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 0.3350 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END $$$$ E0E7EH -OEChem-05082103103D 19 20 0 0 0 0 0 0 0999 V2000 -3.4337 -0.7444 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 -0.6252 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4495 0.7741 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.1204 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 1.6368 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 -1.4879 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7637 1.2694 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 -0.2487 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 1.1273 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6442 -0.9785 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.3975 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 2.7158 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -2.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 2.3413 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 1.8166 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 -1.6566 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 0.7934 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 -0.0024 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0EW4S -OEChem-05082103053D 23 23 0 0 0 0 0 0 0999 V2000 -2.1131 -0.3568 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7062 1.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 -0.7318 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 0.3619 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.3466 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 -0.9861 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -0.3646 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 0.9834 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8137 -1.3494 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 0.7406 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -0.1131 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 -1.4395 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 2.4025 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -1.7866 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 1.7599 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 -2.4031 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 0.4601 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7929 0.4592 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3367 -1.2901 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -2.0312 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9785 -2.0303 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -1.7089 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -0.0182 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0EZ1L -OEChem-05082103083D 25 24 0 0 0 0 0 0 0999 V2000 0.5368 -3.6188 -0.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4155 1.3447 -0.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 2.2612 -0.1578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 0.0065 0.2357 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -1.3617 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 0.8986 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 0.4738 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 -2.3015 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 0.4419 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 1.8552 0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 -1.4276 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -1.7660 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 0.9675 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.9206 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 0.4824 -1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 -0.1550 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 -2.3067 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -2.0799 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 0.4297 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -0.5367 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 1.8499 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 2.6318 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -4.2023 0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2645 1.0427 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 2.2953 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0F6AN -OEChem-05082103043D 21 20 0 0 0 0 0 0 0999 V2000 0.0296 0.2095 1.6069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 1.7979 -1.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 2.2689 0.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 -2.3046 -0.7871 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -0.4033 -0.9273 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.6265 0.7317 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -1.1245 0.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 0.3620 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -0.8791 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5374 0.7096 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.5773 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 -1.2305 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -0.3568 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -1.7555 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 -0.7614 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 1.6080 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 0.9361 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 0.9771 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 2.5669 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 -2.5252 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -1.1116 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0F7XM -OEChem-05082103143D 29 29 0 1 0 0 0 0 0999 V2000 -2.1424 0.1465 -1.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 -0.0185 0.3677 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9892 0.0047 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1872 -1.2387 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 1.2743 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 -1.2920 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 0.0437 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 1.1951 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 1.1839 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -1.3121 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 0.0132 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 -0.0898 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 -1.2109 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -2.1801 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 2.1040 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 1.5440 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 -2.0127 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -1.6707 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 2.1369 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 1.1819 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 1.1487 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 2.1452 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -2.1391 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -1.5829 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 -1.2352 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0943 0.1654 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 -0.4498 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 1.0166 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 -0.5659 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0FG5X -OEChem-05082103063D 15 14 0 0 0 0 0 0 0999 V2000 -1.4251 -1.5216 0.6488 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 0.1713 -1.7101 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 1.3565 0.9399 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2387 -0.0924 1.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 0.0019 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 0.0022 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.2846 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4495 -1.2025 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 1.2607 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 1.4237 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 2.1736 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -2.1514 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -1.1670 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -1.2347 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -0.0872 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0G0VL -OEChem-05082103273D 12 11 0 0 0 0 0 0 0999 V2000 1.8166 -0.3326 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -0.0859 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -0.4747 -1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 -1.2906 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 1.2264 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 1.1186 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 0.0629 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.2241 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 2.2034 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.9971 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -1.1057 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -0.9532 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0G8XK -OEChem-05272104373D 16 16 0 0 0 0 0 0 0999 V2000 -1.3005 2.3434 0.1005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 0.1087 -0.2705 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -0.6984 -0.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 -0.3430 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3459 -0.5355 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 0.9253 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0548 -1.4714 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 1.0653 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -1.3314 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -0.0630 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 -1.4379 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 0.2856 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.4665 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 2.0539 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 -2.2196 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.0715 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0G9PF -OEChem-05082103233D 26 27 0 1 0 0 0 0 0999 V2000 -0.0463 -1.4633 -0.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 1.5672 -0.6832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -0.6858 0.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 -0.4926 0.3276 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -0.3816 0.6667 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7103 0.7355 0.1994 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5690 0.2513 0.5646 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7850 0.0104 -0.5707 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0303 -1.1593 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.1130 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 -0.0533 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 0.5586 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.7670 1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 1.3681 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 0.8855 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 0.6039 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -0.8932 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -2.0547 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 0.5582 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0925 1.9830 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9447 0.3692 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0567 0.7183 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 -0.8167 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 0.1267 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 0.9945 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 1.3311 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0GM2D -OEChem-05082103043D 4 3 0 0 0 0 0 0 0999 V2000 0.6123 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.2426 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.2424 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E0GT5A -OEChem-05082103153D 18 18 0 0 0 0 0 0 0999 V2000 0.4839 -1.5496 0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 2.1137 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 1.2185 -0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 0.0550 0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 -0.1975 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 0.7745 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 0.1736 -0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 0.3832 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -1.0603 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8213 -1.9112 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 0.9473 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6777 -0.7733 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 0.3276 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 1.0207 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 -0.7343 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -1.3896 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 -2.9857 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 2.2305 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0H0KW -OEChem-05082103043D 2 1 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -0.2053 -1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END $$$$ E0H0OT -OEChem-05082103093D 13 12 0 0 0 0 0 0 0999 V2000 0.0000 0.6787 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 -1.2445 -0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 -1.2445 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -0.0287 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 -0.0287 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 0.9339 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 0.9338 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 0.3751 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.5467 0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 1.5623 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 1.5598 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 0.3750 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 1.5490 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0H2SC -OEChem-05082103053D 3 2 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2774 0.8929 0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 -0.2383 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0HP7B -OEChem-05082103143D 47 46 0 0 0 0 0 0 0999 V2000 6.0660 0.9480 1.1795 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1016 0.1195 0.0791 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0233 0.2144 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -0.6332 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 -0.6181 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6202 0.1423 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 0.2781 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 -0.7114 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -0.5041 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 0.3925 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 -0.4388 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5807 0.4557 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 0.9734 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3266 -0.7559 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8645 -0.3736 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0972 0.5113 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 0.8683 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 0.8692 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 -1.3322 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -1.2487 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 -1.2246 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 -1.3107 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 0.8772 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 0.7179 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 0.8982 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 0.9647 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 -1.3822 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8679 -1.3082 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.1395 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 -1.1764 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 1.0295 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0115 1.0565 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3972 -1.0869 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 -1.0926 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5328 1.0866 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5943 1.1268 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4568 1.7635 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 1.4313 -1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 0.3296 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 -1.3621 1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3692 -1.3792 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 -0.1013 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9291 -0.9859 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8492 -1.0598 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0791 1.1123 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0037 -0.1019 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1598 1.1901 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0I3RQ -OEChem-05082103073D 17 16 0 1 0 0 0 0 0999 V2000 -1.7106 -1.1847 0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 -1.6811 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 0.1505 -0.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 1.8669 0.5743 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 0.1880 0.2043 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0664 0.4488 0.7285 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5255 0.5514 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 -0.3398 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 0.1699 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 0.7709 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 1.6097 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 0.3376 -1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 -0.0531 -1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 2.0515 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 2.4357 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -1.4093 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 -2.1843 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0I4EJ -OEChem-05082103273D 47 49 0 1 0 0 0 0 0999 V2000 1.5771 1.7039 0.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -0.2458 -1.5605 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 1.2430 -0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5145 0.0984 2.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 1.6319 1.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 4.6697 -0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 0.1687 -0.6768 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 -0.3520 0.4768 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 2.4739 -0.6013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 3.1865 0.2663 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 0.5944 -0.1701 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9205 0.4004 -1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 0.8488 -0.7328 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4430 1.0385 0.3673 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7744 -1.1628 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 1.2169 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 -1.3962 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -2.2771 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 0.8705 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -0.1709 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3785 -3.5763 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -2.7049 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -3.7907 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 1.9285 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -4.7204 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 -5.1680 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 3.4912 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.3016 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 1.3221 -1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -0.3658 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 1.7451 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 1.9412 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -2.1606 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 -0.3935 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -1.0631 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 -2.8635 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 1.4293 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 -0.0534 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3691 1.3538 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -4.3846 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -5.2658 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -5.4054 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -5.1583 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 -5.7832 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -5.6435 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 3.9683 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 0.8746 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 37 1 0 0 0 0 2 13 1 0 0 0 0 2 38 1 0 0 0 0 3 14 1 0 0 0 0 3 39 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 24 2 0 0 0 0 6 27 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 16 2 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$ E0I5TO -OEChem-05082103213D 20 20 0 0 0 0 0 0 0999 V2000 1.0591 -0.3353 0.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 -0.4617 0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 0.7397 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -0.1801 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2144 0.1833 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8516 1.0939 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -1.2950 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2316 1.2530 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 -1.1359 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0476 0.1381 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 1.2664 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 1.4353 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 0.9738 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0738 -0.5669 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.9847 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -2.2899 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 2.2441 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 -2.0040 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1223 0.2619 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 0.2078 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0I5ZK -OEChem-05082103203D 38 39 0 0 0 0 0 0 0999 V2000 5.2385 -0.8692 -0.2814 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 1.8734 -0.4124 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -3.3172 0.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -1.8164 1.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 1.6496 -1.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 2.7637 -0.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 0.0393 -0.1811 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 2.3666 1.1845 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 0.2831 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -0.9394 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 -0.3392 -1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3263 1.1391 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 0.3161 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 0.2777 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 -0.9577 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -2.1181 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 -0.8628 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9773 -0.0994 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7003 1.3788 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8869 -2.0798 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 0.7596 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 -1.2645 -2.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 1.8168 1.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 0.5503 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 1.2072 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6355 -0.5740 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1447 2.0443 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 -3.0005 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5959 0.9459 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2721 -0.7620 -2.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 -2.1536 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8155 -1.6048 -2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0279 1.0792 2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6676 2.3844 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 2.5250 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 2.3749 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 3.1339 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5724 -4.0189 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 15 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 19 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 25 1 0 0 0 0 16 20 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$ E0IS1Z -OEChem-05082103053D 16 16 0 0 0 0 0 0 0999 V2000 -2.7950 0.9134 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 -0.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6821 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6144 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.2668 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -2.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -1.9172 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 -1.9171 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -2.9174 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 2.5941 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 2.0793 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0649 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0J0LX -OEChem-05082103213D 40 40 0 0 0 0 0 0 0999 V2000 0.0079 -1.9528 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -0.6433 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 -0.5969 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.1195 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 0.1198 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 -0.5887 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 1.4923 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 1.5146 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 0.3616 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -1.5297 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 -1.5687 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.9923 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 -0.8662 -1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 0.2376 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 2.2009 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 3.6922 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 2.0904 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 2.1046 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 0.9835 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 0.9949 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 -0.1797 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 -2.3824 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -1.9476 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.9472 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 -2.4024 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 -1.0072 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7124 -2.0084 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 -2.3099 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 -1.9611 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -2.8008 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 0.0724 -2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 -1.3768 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -1.4879 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -0.3429 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 1.1317 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2837 0.5402 1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 4.0777 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1445 4.0662 -1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 4.1009 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3642 -2.2241 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 40 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 7 15 2 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 M END $$$$ E0JB3K -OEChem-05082103053D 15 14 0 0 0 0 0 0 0999 V2000 0.4050 1.3855 1.6974 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 -2.2559 -0.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 0.4205 -0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1309 -0.3082 0.3605 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4506 1.1254 -1.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 0.3338 -0.2208 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2008 0.1156 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -1.3157 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 0.4991 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -1.5592 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -1.4735 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 -0.1691 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 1.5226 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 -2.2108 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.0129 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$ E0JD3S -OEChem-05082103313D 96 97 0 0 0 0 0 0 0999 V2000 -12.8901 -0.8145 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8997 0.4410 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2559 -0.0801 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9687 -0.5754 1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1325 1.4021 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2584 -1.6458 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7656 -0.0110 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 -0.2704 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1937 2.0628 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -2.4292 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9254 1.2838 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7507 -1.5779 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5294 -1.0270 -1.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1074 -2.1999 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5556 1.4186 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4673 1.2391 1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5162 -0.7258 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5386 0.5604 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9033 2.1251 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6162 -2.3640 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3101 -0.1674 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2794 0.1212 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0143 -0.8203 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0576 0.8903 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0214 -2.2597 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2067 2.3079 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8238 -0.2163 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 0.3903 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4906 -0.7696 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 1.0456 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3789 -0.0528 0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 0.4561 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9988 -0.5222 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0244 1.0661 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 -1.9381 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9783 2.4996 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 0.2540 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 0.3050 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -0.0913 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 0.6895 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9809 -0.5336 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6780 -0.1942 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9007 -0.0578 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6261 -1.0679 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1180 1.8792 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7657 1.5561 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0309 -2.3289 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6555 -1.1947 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9377 3.0589 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7245 2.2123 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 -3.0184 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7999 -3.1441 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3418 -1.5315 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6340 -1.6498 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3301 -0.0788 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2784 -2.8883 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0093 -2.6823 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2289 -2.1122 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 2.2601 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8132 0.9231 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4766 1.8465 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 1.6674 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9395 0.5977 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 2.0723 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5940 -1.7437 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 1.5667 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4085 2.7969 1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3430 2.7487 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2131 1.5415 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0172 -2.8518 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0083 -3.1587 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9808 -1.7688 -1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2338 0.8426 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 -0.8649 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0523 -2.7392 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5673 -2.8803 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5251 -2.3381 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7409 2.9103 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2876 2.8471 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7877 2.3189 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 0.8237 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 -0.6420 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3867 -1.7974 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5437 2.0792 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 0.9825 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 -0.5839 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -2.0922 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 -2.6440 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 -2.2497 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 3.1529 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 2.8941 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 2.6034 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 1.2785 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 -0.7259 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -1.1040 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3341 1.7091 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 6 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 9 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 10 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 12 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 2 0 0 0 0 17 65 1 0 0 0 0 18 22 2 0 0 0 0 18 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 23 1 0 0 0 0 21 73 1 0 0 0 0 22 24 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 27 29 1 0 0 0 0 27 81 1 0 0 0 0 28 30 1 0 0 0 0 28 82 1 0 0 0 0 29 31 2 0 0 0 0 29 83 1 0 0 0 0 30 32 2 0 0 0 0 30 84 1 0 0 0 0 31 33 1 0 0 0 0 31 85 1 0 0 0 0 32 34 1 0 0 0 0 32 86 1 0 0 0 0 33 35 1 0 0 0 0 33 37 2 0 0 0 0 34 36 1 0 0 0 0 34 38 2 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 1 0 0 0 0 37 93 1 0 0 0 0 38 40 1 0 0 0 0 38 94 1 0 0 0 0 39 40 2 0 0 0 0 39 95 1 0 0 0 0 40 96 1 0 0 0 0 M END $$$$ E0JP9O -OEChem-05082103043D 26 25 0 0 0 0 0 0 0999 V2000 -4.5241 -0.7597 0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 1.2985 -0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6469 0.3982 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 -0.4883 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -0.3937 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 0.2500 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 0.5396 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.6848 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 -0.2401 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 0.0804 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 1.0598 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 1.0441 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -1.1299 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 -1.1605 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -1.0557 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 -1.0320 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 0.9168 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.8962 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 1.2172 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 1.1605 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 -1.3020 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 -1.3377 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -0.9066 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 0.4462 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 -0.8458 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3741 -0.2699 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 M END $$$$ E0JV1G -OEChem-05082103413D 20 20 0 1 0 0 0 0 0999 V2000 0.2210 -1.1668 0.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 1.4576 0.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 2.3575 0.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -0.8212 -0.7136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 0.6692 -0.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -2.1034 -0.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 0.1702 0.6697 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5740 0.2366 -0.1798 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7968 0.9978 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 -0.9196 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 0.2587 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 -1.1365 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 0.4059 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 0.2303 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 -1.8916 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -0.8749 1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 1.4711 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 2.6124 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -1.5648 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 -0.1261 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0JW9W -OEChem-05082103053D 29 30 0 0 0 0 0 0 0999 V2000 -0.0266 -1.1890 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 1.1397 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2002 -0.4308 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -0.3664 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 1.4396 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 1.4400 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2279 0.4485 1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 0.4490 -1.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 -1.4263 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 -0.7526 1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -0.7519 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 1.7855 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 1.3788 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4423 2.4665 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 2.4670 -1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5205 1.3797 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1763 0.9921 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.1782 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 -0.1775 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1762 0.9926 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 -0.9190 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -2.0809 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -2.0806 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 -0.1279 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -1.8011 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -0.6753 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 -0.1269 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -0.6745 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 -1.8003 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0JZ8Z -OEChem-05082103073D 11 10 0 0 0 0 0 0 0999 V2000 0.0000 -0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2183 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2183 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 0.9244 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 0.9245 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -0.3520 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 -0.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.9245 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.9245 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 M END $$$$ E0K0OU -OEChem-05082103083D 39 38 0 0 0 0 0 0 0999 V2000 0.3720 -0.7968 -1.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 2.1888 0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7938 -0.0379 0.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2953 -1.9436 -0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 1.3644 -1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 -1.6843 0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9535 -0.0478 0.8841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 0.0796 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 0.5745 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -0.6912 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 1.2668 -0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5536 -0.5299 0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 -0.8284 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5805 3.3514 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 -0.9836 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 -2.1988 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 4.2657 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 -0.2862 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 -3.0627 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 1.0691 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.3151 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -0.1756 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2184 -1.6977 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 -1.1463 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 3.8731 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 3.0513 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -1.7991 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 -1.3904 1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -2.7358 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -1.2712 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 3.7511 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7227 4.5594 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 5.1670 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 0.1418 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 0.5436 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0069 -0.9819 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -3.9857 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 -2.5464 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3234 -3.3234 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 24 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END $$$$ E0K2KU -OEChem-05082103093D 24 25 0 1 0 0 0 0 0999 V2000 3.0279 -1.1629 1.2097 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 0.2247 -0.7144 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 1.7181 0.8296 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 -0.1334 -1.3203 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 2.1104 -0.6183 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 -2.4390 0.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.1546 -0.4315 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 0.5631 0.8332 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5060 -0.9485 0.6010 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6796 1.3603 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -1.3580 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 0.9790 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 -1.3103 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7359 0.8006 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6688 -0.4098 -0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 0.1604 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 0.7377 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -1.4606 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 2.3984 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 1.3963 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9384 -2.3393 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 -1.5022 -1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 1.4193 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4821 -0.7347 -1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END $$$$ E0K7ZB -OEChem-05082103053D 6 5 0 0 0 0 0 0 0999 V2000 -0.0897 -0.0002 0.4756 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 -1.2121 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7618 1.2135 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -0.0012 -0.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 -1.9724 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 1.9727 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END $$$$ E0K9AR -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 0.0003 -1.3171 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0872 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.7024 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 0.7019 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 1.3235 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 1.3282 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 0.0196 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 0.0187 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 1.3230 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 1.3278 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0KP0P -OEChem-05082103083D 25 25 0 0 0 0 0 0 0999 V2000 -1.7020 -0.1684 0.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 2.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5323 -0.9160 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9401 -1.0423 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 0.2137 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.3953 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4222 -0.7138 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 0.8543 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.3210 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 -0.9712 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 0.8803 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 -1.4118 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -0.4861 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 -1.6612 -0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 -1.6495 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 0.8118 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2899 0.8140 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6884 -0.1405 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -1.6340 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7024 -0.1274 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4424 2.3902 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -1.7240 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 1.6115 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 -2.4775 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1219 -0.1425 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E0KP1P -OEChem-05082103073D 6 5 0 0 0 0 0 0 0999 V2000 -0.6672 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -0.9290 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.9290 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 0.9290 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -0.9290 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END $$$$ E0KR6X -OEChem-05082103263D 20 20 0 1 0 0 0 0 0999 V2000 -1.4755 1.1745 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -2.3533 -0.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 2.3482 -0.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 0.0169 -1.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 0.0009 0.4401 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0833 -1.2847 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 1.2665 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 0.0166 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -1.2478 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -0.0578 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 0.0326 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 0.0874 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 0.0047 1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 -2.1850 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 0.9300 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 -0.8634 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 0.0430 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 0.6355 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 -0.8816 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9298 0.6423 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0KW7B -OEChem-05082103063D 33 32 0 0 0 0 0 0 0999 V2000 6.2965 -0.8123 -0.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 1.2443 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 0.4194 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -0.3272 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.5103 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 0.6022 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -0.1462 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 0.2376 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 0.8283 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 -0.7102 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2776 0.2238 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 0.0251 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5968 -1.0746 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 1.0042 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 1.1356 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.0367 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.9197 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 -1.1088 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -1.2140 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 1.2828 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 1.2259 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 0.8726 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 0.9116 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 -0.8516 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -0.7323 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 1.4081 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8478 1.5466 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -1.3378 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -1.3550 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0977 0.9382 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6382 -1.3791 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 -1.8564 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1465 -0.3232 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END $$$$ E0L3OO -OEChem-05082103133D 48 47 0 1 0 0 0 0 0999 V2000 -4.9116 0.2149 -0.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 -1.7568 0.2968 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1099 1.6795 0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 0.3617 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 -0.4560 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -0.4752 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 0.3570 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3698 -0.3840 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 0.3305 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 0.4998 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -0.5198 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 -0.2639 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 0.2499 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1648 0.6004 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -0.5771 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1757 -0.4237 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2873 0.5877 -0.2571 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6599 -0.0249 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 0.7321 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 1.2384 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 -1.3053 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 -0.8765 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 -0.8262 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 -1.3644 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 0.7419 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 1.2354 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 -0.7963 1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4567 -1.2368 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 1.2093 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0266 0.6968 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5502 1.3204 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6254 0.9584 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 -0.8805 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -1.4111 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 -0.7102 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 -1.0921 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 0.5940 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 1.1228 0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1620 1.4196 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2173 1.0318 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0671 0.0030 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2735 -1.2735 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2153 -0.7801 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2085 0.9881 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7674 -0.3649 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4453 0.7196 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8357 -0.8727 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8154 2.3245 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 17 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 M END $$$$ E0L5MU -OEChem-05082103053D 29 29 0 0 0 0 0 0 0999 V2000 0.0023 3.1550 0.9583 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -2.0605 0.0814 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 -2.0567 0.0805 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -3.4351 -1.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 -4.0056 0.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 1.7071 -1.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 1.7096 -1.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 1.0595 0.6027 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 1.0568 0.6021 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 0.3667 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 0.3653 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 1.0538 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 -1.6977 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -1.0105 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -1.0092 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -3.1410 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 1.6651 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.6618 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 2.3099 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 2.3054 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 1.2139 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 0.9993 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 1.5856 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 2.6627 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 3.1604 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 2.9674 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 2.8951 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 1.5302 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -4.4029 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 M END $$$$ E0L9VB -OEChem-05082103123D 30 30 0 1 0 0 0 0 0999 V2000 1.8560 -0.6974 -0.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -1.8995 0.2412 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 0.6701 -0.4092 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2237 1.0563 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 1.4493 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 0.2185 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.5881 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 0.5005 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 -0.2783 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 -0.8367 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7517 0.0349 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8921 -0.8057 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 0.7642 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 2.1207 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2624 0.9014 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 1.6219 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8615 2.4203 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 0.3696 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -0.8475 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 1.6457 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 0.4579 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 0.6291 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 0.5960 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.3364 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -0.1397 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -0.1226 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9883 1.0946 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8335 -0.5401 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -1.8715 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0105 -0.6433 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 M END $$$$ E0LJ1H -OEChem-05082103073D 23 23 0 1 0 0 0 0 0999 V2000 -1.5606 -1.5480 -1.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -1.0236 0.4554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 1.6326 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 0.9812 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.7241 -0.2957 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7593 0.4612 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -0.8355 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.2913 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -0.6859 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -1.3157 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 0.8109 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 -0.4925 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.5378 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 2.0589 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 0.8943 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 -1.4840 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 2.3068 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 2.5968 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 1.5450 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -2.3305 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 1.4516 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 -0.8665 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -2.4531 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0LN0E -OEChem-05082103073D 9 8 0 0 0 0 0 0 0999 V2000 1.4415 -0.2624 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 0.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 1.2622 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 1.2622 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 -0.9984 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 -0.9984 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0LQ1C -OEChem-05082103263D 45 45 0 0 0 0 0 0 0999 V2000 2.2652 -0.9058 -0.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 0.2023 1.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 0.9731 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 -0.2255 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 1.9630 0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4319 -1.4711 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 3.1685 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 -2.0247 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 2.8514 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 -2.2918 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.8574 -1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -2.7206 -1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 2.3530 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.1555 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 1.3691 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 -2.1159 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 0.1730 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 1.4725 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 0.6357 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2069 -0.4826 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 0.0633 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8803 1.4438 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 2.3290 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7067 -2.2597 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3357 -1.2486 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 3.7866 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 3.7921 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -2.9608 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 -1.3400 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 3.7930 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 2.4631 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 -1.3845 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 -3.0656 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 1.6739 -2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 0.8923 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 -3.5574 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 -1.8963 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 2.5298 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 3.3136 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -4.0777 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -3.3963 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7931 1.8555 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 1.0430 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -1.9137 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -2.5016 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 M END $$$$ E0LR5E -OEChem-05082103073D 19 18 0 0 0 0 0 0 0999 V2000 -2.4461 0.3527 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.1555 0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.3839 0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 1.3581 -1.0446 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 0.2759 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 0.4160 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -1.0600 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 0.4289 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 1.3690 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -0.3843 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -1.1610 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -1.1451 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -0.3560 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 1.3913 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 1.3228 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 2.2620 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 1.0543 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 -2.9684 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 -0.5378 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0LT2O -OEChem-05082103143D 81 82 0 1 0 0 0 0 0999 V2000 0.7439 -1.3977 -0.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 1.4276 -1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 -2.3982 0.9123 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6874 -2.5672 1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -1.9523 2.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 -2.5615 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 -2.6928 -0.4929 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0989 -2.7639 0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 -1.6226 1.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -1.3155 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -3.7271 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0372 -0.7796 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 -0.1428 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 -0.7238 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4293 1.2220 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 2.4603 -0.0469 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8732 -3.8345 -1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 2.5062 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -0.0589 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 0.0704 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 2.5701 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 0.7930 -1.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 3.7209 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 0.7256 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 2.5588 1.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 2.5408 1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 -0.1114 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7053 0.1538 -2.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0817 1.6448 -3.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 2.4710 2.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 3.7844 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 -3.4779 1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 -1.7257 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 -2.7160 2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -1.0446 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -3.3490 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 -1.6035 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1319 -2.8536 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 -2.0402 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1764 -3.7475 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -2.5429 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 -1.0968 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 -1.3241 -1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 -1.1488 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 -4.5402 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 -4.0136 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -3.6587 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6454 -0.1245 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -0.2983 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 1.3333 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2274 1.2066 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6488 2.4037 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 -3.6754 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 -3.9064 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 -4.7981 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 3.3902 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7818 1.6500 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9107 1.7245 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9978 3.4798 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 3.7245 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 4.6223 -0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6221 3.7871 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 3.4275 2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 1.6725 2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 1.6547 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 -1.1416 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 0.2617 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 0.4922 1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 1.1985 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1785 -0.3167 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8863 -0.3435 -3.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 2.6994 -2.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 1.5140 -3.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 1.4000 -3.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 3.3469 3.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 2.4224 2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 1.5776 3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 4.7036 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 3.7706 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 3.8311 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 2.1425 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 2 0 0 0 0 22 29 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 M END $$$$ E0M1JK -OEChem-05082103053D 13 12 0 1 0 0 0 0 0999 V2000 -0.4721 -1.3536 -0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 0.0013 0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 -0.0168 0.3428 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7489 0.7009 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 0.6681 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 -0.0765 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7012 0.7211 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.7275 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 0.1308 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 1.7013 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8983 0.6691 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2339 -1.8054 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 -0.9097 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END $$$$ E0M1QY -OEChem-05082103053D 24 25 0 0 0 0 0 0 0999 V2000 0.4700 2.5688 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -0.4436 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 0.1412 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 1.0797 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 -1.9372 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 0.2592 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -1.0264 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 1.4220 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -0.2495 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -1.1998 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -2.6960 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1926 1.2061 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 2.1881 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -1.5787 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 -3.1973 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -2.7596 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0447 -3.1963 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 0.7801 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 1.8092 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 1.8083 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 3.1651 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 2.1027 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9346 2.1021 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0M2LZ -OEChem-05082103063D 16 15 0 1 0 0 0 0 0999 V2000 0.8765 -1.7477 0.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 0.2085 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -0.5891 -1.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 -0.7792 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 1.6788 0.4055 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 0.6375 0.5499 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5957 1.1159 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -0.5980 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 0.0732 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 0.4158 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 1.3530 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 2.0203 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 1.3992 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.5341 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -2.5417 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 -0.4573 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0M7DO -OEChem-05082103233D 47 47 0 1 0 0 0 0 0999 V2000 5.0772 0.8786 -0.0199 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 -0.2806 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 1.1994 -1.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 -1.2896 -1.2519 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5405 -1.1700 0.6528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -0.6980 -0.0206 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8116 -0.5048 0.3874 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 2.7441 0.2838 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 -0.1690 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -0.7235 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 1.2832 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 -1.8351 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 -1.0424 -1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 1.6992 -1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 2.3711 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -0.7040 0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 -1.2508 -0.0197 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8218 -2.7388 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1877 0.6778 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 1.2939 0.3946 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7146 0.8765 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 -0.6172 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -0.3138 1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 -2.0141 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -1.6243 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4386 -2.7747 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 -1.3699 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 -1.8842 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 -0.2359 -2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 2.0973 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 0.9281 -1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0449 2.5114 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 3.3336 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 2.5145 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 2.1309 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 -1.0743 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4972 -1.0900 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 -2.9421 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 -3.1272 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 -3.3000 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -0.8295 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4926 1.0237 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6925 1.1566 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 1.3637 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 3.0327 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1966 3.0170 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4327 -2.2594 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 47 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 36 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 20 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$ E0ME2Y -OEChem-05082103093D 23 22 0 0 0 0 0 0 0999 V2000 -1.1883 -0.3837 -0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 0.3044 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 0.3163 0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 0.4141 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 -0.4942 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 0.4188 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 -0.4967 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5801 -0.4856 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 0.4066 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 1.0589 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 1.0636 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -1.1536 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 -1.1286 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 1.0548 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3811 1.0770 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 -1.1076 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 -1.1585 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5806 -1.1627 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 -1.1045 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 -0.1790 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 1.0336 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 1.0835 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 0.8308 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E0MF5O -OEChem-05082103103D 15 14 0 0 0 0 0 0 0999 V2000 0.6791 -0.4358 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.4510 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 0.3805 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 -0.5142 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5015 0.2398 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5893 -0.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 -0.3613 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8602 1.0145 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 1.0130 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 0.0783 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -1.1673 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -1.1659 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 -1.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6629 -1.0960 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1482 0.6854 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0MH5E -OEChem-05082103253D 38 39 0 1 0 0 0 0 0999 V2000 -3.9269 0.7056 2.6573 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7028 1.5913 -0.7547 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 -1.0751 -1.6998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -3.8283 -0.5842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 3.1893 -0.1274 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5865 1.4866 0.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 -0.4513 0.3726 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 -1.2259 -0.0681 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -0.7696 0.9286 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 1.9849 0.2018 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3217 -1.8433 0.3045 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3841 -1.0863 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 0.3401 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.3175 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 -0.1900 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 1.1549 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 0.9153 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.5182 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 -4.1516 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9079 -0.9864 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 1.7064 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 1.6884 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7423 1.2913 -1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1262 -0.4348 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 1.8764 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 0.9116 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 -1.7846 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -0.5500 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 0.1053 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -4.0509 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.8303 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -5.2038 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8618 -2.0363 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 2.7534 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 2.1509 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9494 1.4383 -2.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0107 -1.0661 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4187 2.4780 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 26 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 26 2 0 0 0 0 21 34 1 0 0 0 0 22 25 1 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 2 5 -1 10 1 M END $$$$ E0MU5Y -OEChem-05082103163D 33 33 0 0 0 0 0 0 0999 V2000 -4.1444 -0.2686 -0.0639 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0081 -1.0395 0.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6669 -1.6675 0.5924 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2149 -0.3762 -1.5097 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7603 0.8378 0.6459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 0.6096 0.2573 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 0.3666 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -0.6616 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 1.7407 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 -0.7651 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0235 1.6378 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 0.7079 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0086 0.2685 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -0.3962 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -0.9941 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -0.7746 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 -1.5183 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 2.6818 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 1.7867 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -0.8198 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 -1.7180 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 2.4753 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 1.7445 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 0.6764 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 1.6754 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 0.2883 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 1.1319 -0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4305 -0.3610 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 -1.3891 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -1.0048 -1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -1.9101 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4034 -1.8446 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3706 -2.4885 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$ E0N1TT -OEChem-05082103063D 36 35 0 0 0 0 0 0 0999 V2000 4.3006 -2.5693 -1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 2.2945 2.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2591 -2.6115 0.9969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 2.2980 -2.5113 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 -0.5503 -1.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 2.4467 0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -0.5906 1.8441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 2.4427 -0.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -0.2550 0.1985 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 -0.2518 -0.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 -0.2596 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -0.2292 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2848 -1.6020 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 0.2674 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 -1.6090 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7117 0.2645 -1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -1.4924 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 1.7658 1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 -1.5237 1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 1.7648 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2592 -1.1120 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 0.6363 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 0.6954 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2479 -1.0501 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.1457 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -2.2060 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 0.0588 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -0.1544 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -2.1524 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -2.2069 -0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 0.0375 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4321 -0.1463 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 -2.4899 -1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 3.2732 2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 -2.5478 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 3.2776 -2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 34 1 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 20 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$ E0N2PK -OEChem-05082103053D 12 11 0 0 0 0 0 0 0999 V2000 -0.0004 1.3572 -0.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0177 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 -0.6878 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 -0.6871 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0646 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 -1.7139 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 -0.1484 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -0.7138 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 -1.7132 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 -0.1471 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3066 -0.7131 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 1.3242 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E0N2RU -OEChem-05082103083D 25 25 0 0 0 0 0 0 0999 V2000 -0.4292 2.3458 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -0.5675 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7643 -0.5674 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.1093 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6226 -0.3719 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 1.0979 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -1.6482 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 -0.4017 1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3455 -0.1167 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3483 -0.1132 -2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 -0.4038 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -1.6475 -1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 -2.2100 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.9020 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -2.3930 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 0.4669 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 -0.3845 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 -1.2884 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 2.3514 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END $$$$ E0N6BJ -OEChem-05082103083D 30 30 0 0 0 0 0 0 0999 V2000 -2.0629 -0.8513 -0.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 -0.6827 -0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 -0.3295 1.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.2814 1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 0.9749 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 0.7967 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 2.2091 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 1.8527 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 -0.1087 0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -0.4802 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 3.2650 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 3.0869 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -1.9491 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -1.9081 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 -2.6445 -1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -1.9498 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 2.3604 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 1.7524 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 4.2261 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 3.9103 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 -2.6516 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.5746 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -1.9604 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.7536 -0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 -3.0072 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 -3.4910 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -1.9480 -2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 -2.8752 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -1.8791 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 -1.0984 -0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$ E0NF3V -OEChem-05082103063D 14 13 0 1 0 0 0 0 0999 V2000 1.9164 1.0306 -0.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 1.4730 0.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6876 0.0439 -0.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.9614 0.3145 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -0.5719 0.4674 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5043 -0.3229 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.3087 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -0.3707 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 -0.9735 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -0.4858 -1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -2.1614 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -2.1182 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 1.1706 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 2.0607 0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0NG2J -OEChem-05082103143D 31 31 0 1 0 0 0 0 0999 V2000 0.4167 2.3656 0.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -0.0351 0.4283 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0704 1.1567 -0.1560 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1195 -1.3636 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -0.2825 -0.3743 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5705 1.0447 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 -1.4666 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 0.0476 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 -0.3844 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.0757 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -0.0067 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 0.0011 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 1.2366 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -2.2170 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -1.4865 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -0.3149 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 1.8891 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 1.1543 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -2.4073 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -1.5097 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 0.9985 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 0.4445 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -1.3190 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -0.3576 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7722 -2.0566 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.8974 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 -1.1242 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -0.9567 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 0.0983 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.8109 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 2.3126 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E0NN4I -OEChem-05082103233D 66 68 0 1 0 0 0 0 0999 V2000 -0.8420 -0.8286 0.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 -0.9757 -0.6826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7617 0.3969 0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 0.8487 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 0.8689 -1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 1.6179 -1.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 1.5287 -1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6323 -1.3955 1.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7246 -2.6772 -0.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -1.2501 -0.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3662 1.1673 0.7337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7956 2.1324 1.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -3.1831 1.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0038 2.2173 -0.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5432 -2.6694 -1.6447 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 3.3160 1.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 -0.3541 -0.1407 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6510 0.4941 -1.2217 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7243 0.9833 -0.7678 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3646 -1.4320 0.3746 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5587 -0.1602 -0.1906 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8457 -0.5337 0.2563 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6620 -0.5656 0.0103 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7631 -0.2836 1.4604 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5462 -0.3423 -1.1001 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8550 -1.2773 -0.6277 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1770 -0.7799 -0.0429 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2327 0.7477 -0.0213 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6165 0.9732 1.2757 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9634 1.3286 0.6063 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9694 -2.2159 1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2869 0.9917 -0.0995 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3901 -1.5407 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 2.8521 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 0.3067 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -0.0635 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 1.7914 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -2.1456 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 -0.8765 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4508 -1.5548 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5629 -0.8562 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 -0.1773 2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 -0.2084 -1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 -1.1456 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 -1.1912 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 1.1262 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3934 1.0324 2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 1.0387 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -1.5572 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8859 -2.7334 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0189 0.1807 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8587 -1.3442 -2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1902 -1.7717 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 2.1327 -0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.8282 -2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 3.1925 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 3.2914 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0781 -2.1799 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -2.8152 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1325 -0.9150 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2546 0.8481 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4105 2.1066 2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 -3.6670 2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 2.0640 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -3.4149 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 4.2863 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 30 1 0 0 0 0 5 25 1 0 0 0 0 5 32 1 0 0 0 0 6 18 1 0 0 0 0 6 54 1 0 0 0 0 7 19 1 0 0 0 0 7 55 1 0 0 0 0 8 24 1 0 0 0 0 8 58 1 0 0 0 0 9 26 1 0 0 0 0 9 59 1 0 0 0 0 10 27 1 0 0 0 0 10 60 1 0 0 0 0 11 28 1 0 0 0 0 11 61 1 0 0 0 0 12 29 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 31 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 33 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 30 34 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$ E0NO1Z -OEChem-05082103043D 15 15 0 0 0 0 0 0 0999 V2000 2.3067 -1.1843 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 1.0837 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 0.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 1.2278 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -1.1878 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 1.2003 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7609 -1.2153 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 0.0629 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0914 2.1900 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1555 -2.1407 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 2.1298 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 -2.1661 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5679 -0.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 -1.1536 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0NV2K -OEChem-05082103053D 7 6 0 0 0 0 0 0 0999 V2000 0.0002 -0.0002 -0.1181 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 0.0355 0.8975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -0.0326 0.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 1.2577 -0.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -1.2604 -0.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 0.6912 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -0.6859 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0NY1O -OEChem-05082103043D 16 16 0 0 0 0 0 0 0999 V2000 2.7427 0.0002 -0.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 -0.0002 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.0001 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.2079 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1111 -1.2082 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4847 1.2081 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -1.2079 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 0.0002 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 0.8799 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -0.8828 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 2.1555 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -2.1559 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 2.1486 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -2.1484 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 0.0003 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 0.7034 -1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0O1YN -OEChem-05082103053D 16 16 0 0 0 0 0 0 0999 V2000 1.4274 0.0012 0.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.0013 -0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -1.2016 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7328 -1.2036 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 1.2004 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 1.2050 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 -1.2758 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 -2.0840 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 2.0818 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 1.2746 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 -2.0828 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 -1.2820 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 1.2835 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 2.0849 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 0.0021 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -0.0022 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0O5FX -OEChem-05082103073D 7 7 0 0 0 0 0 0 0999 V2000 -0.0007 0.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.6786 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.6787 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -0.6806 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -0.6805 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0OC0E -OEChem-05082103053D 27 28 0 1 0 0 0 0 0999 V2000 -2.5236 0.3669 0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9678 0.2884 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 0.5208 -0.5698 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6028 -1.2103 0.6019 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0159 -0.5640 -1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -1.7483 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8584 -1.1836 1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3694 -0.0317 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 0.5153 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 1.1276 1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.9190 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 -1.7778 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -0.2453 -2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 -0.8477 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.6478 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 -2.0000 -1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 -0.9376 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 -2.1053 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 0.0122 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 0.1571 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 1.5824 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 0.7384 2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 1.1504 2.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 2.1710 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 2.2768 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 1.9524 -1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 2.6250 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M END $$$$ E0OC2E -OEChem-05082103083D 15 15 0 0 0 0 0 0 0999 V2000 2.9683 -0.0001 0.8219 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 0.0001 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 1.2081 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.2079 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 0.0001 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5066 1.2079 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -1.2080 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 -0.0001 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 2.1561 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -2.1558 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 0.8816 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 -0.8813 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0364 2.1484 0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -2.1486 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2463 -0.0002 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0OF1T -OEChem-05082103043D 15 14 0 1 0 0 0 0 0999 V2000 0.3372 -1.6121 0.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 1.3843 -0.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 0.9616 0.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -0.4593 0.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 -0.8603 -0.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -0.3119 -0.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5472 0.6095 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 0.1627 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9543 0.1255 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.3858 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 1.6237 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 0.6447 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 -2.2083 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 1.6910 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 0.6755 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0OO9B -OEChem-05082103093D 24 24 0 0 0 0 0 0 0999 V2000 2.1516 -0.6114 0.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 -1.4775 0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -0.4593 -1.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -1.8922 -0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 0.7763 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 0.3133 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 2.1405 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 1.2146 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 3.0418 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 2.5787 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -0.1400 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.1055 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -1.5185 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -2.8608 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 2.5135 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 0.8861 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 4.1041 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 3.2812 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -1.0296 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -2.4169 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -1.8066 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 -3.4838 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 -3.1396 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 -3.0079 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0OS5H -OEChem-05082103053D 11 10 0 0 0 0 0 0 0999 V2000 -1.6213 -0.7156 0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.3033 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -0.7599 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 0.0899 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 0.0823 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.3855 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 -1.4038 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -0.5468 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 0.7425 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 0.7256 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.1939 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0OY4C -OEChem-05082103283D 22 22 0 0 0 0 0 0 0999 V2000 3.4449 0.8501 0.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 -1.3598 -0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -0.2515 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 1.0774 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 -1.2483 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 -0.5977 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 1.4097 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 -0.9159 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 0.4130 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 0.2637 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -0.2140 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 0.5731 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 1.8838 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 -2.2894 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -1.6437 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 2.4437 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2521 -1.6917 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 0.6715 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 1.3114 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 0.2169 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1143 -0.1631 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 1.5029 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0P0SJ -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 0.1817 0.0065 -0.5212 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 0.0532 0.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 1.3112 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 -1.3709 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 2.2796 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 1.2252 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8773 1.2284 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.3601 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 -1.2894 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 -2.3059 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0P1KX -OEChem-05082103213D 50 49 0 0 0 0 0 0 0999 V2000 6.3778 0.6722 -0.3573 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 0.0497 1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3748 -0.0078 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2643 -1.0187 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 -0.5662 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -0.4509 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8951 0.4177 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -1.4742 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2749 -0.1657 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 -0.9171 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3863 0.8327 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 -1.8786 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7639 0.2650 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1332 -1.3130 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8684 1.2667 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 -0.1315 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8751 1.8192 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 2.6007 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 0.2511 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 0.9169 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 -1.2929 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 -1.9356 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -1.4834 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 -0.8505 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 0.4546 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.1576 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7342 1.3172 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 0.7359 -1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0252 -2.3882 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -1.7517 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4245 -1.0854 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3233 -0.4387 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.6519 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 0.0152 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2235 1.7611 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3471 1.0884 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -2.1714 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -2.7947 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8026 -0.0071 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9423 -0.6503 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -2.0877 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 -1.0099 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7372 2.1810 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8777 1.5377 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8446 0.8396 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 1.4951 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 2.4495 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 1.9777 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 2.9163 -1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 3.4867 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 M END $$$$ E0P4FL -OEChem-05082103263D 66 68 0 1 0 0 0 0 0999 V2000 -2.8577 -1.1004 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0627 1.2206 -0.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 -0.1993 -0.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 0.4606 0.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 0.0452 2.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1963 1.8516 0.2376 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9172 0.9030 1.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 -3.2967 -1.6523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -4.2195 -0.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1138 -2.6145 1.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3373 -1.5096 -1.1776 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 2.3354 -1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1564 1.2514 -2.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 3.6897 0.0885 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 1.1510 -0.2483 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 -1.4340 2.7525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -0.0125 -0.1769 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6121 0.2364 1.0662 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9756 1.7055 0.9561 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7800 -1.0462 -0.9259 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8386 2.3097 0.1271 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2424 -2.4328 -1.2837 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0511 -0.6950 0.6870 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4670 -3.0539 -0.1236 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5735 -2.0704 0.4159 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5842 -0.3341 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 0.3440 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 1.4192 0.3081 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6190 1.8848 -0.9850 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9036 3.1916 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 0.7511 -1.6059 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4070 0.1720 -0.5738 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6544 -0.2165 0.7055 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5927 -0.6874 1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4765 -0.4316 1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1013 2.1963 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -0.6138 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 2.8787 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -2.3528 -2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.7594 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 -3.3910 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -1.9916 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9959 -0.4950 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 0.4771 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 1.3126 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 0.0507 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 2.2957 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 2.7376 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 2.6176 1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 4.0373 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 -0.0301 -1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9394 -0.6867 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -1.0203 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 0.2505 3.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3746 2.8043 0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 -2.8753 -2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -3.9525 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 -2.6654 2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 0.1545 2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3706 -1.3456 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8685 -1.6817 -1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1275 3.0493 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6784 0.5157 -3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 4.2430 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 1.8356 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -1.7272 3.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 18 1 0 0 0 0 5 54 1 0 0 0 0 6 19 1 0 0 0 0 6 55 1 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 22 1 0 0 0 0 8 56 1 0 0 0 0 9 24 1 0 0 0 0 9 57 1 0 0 0 0 10 25 1 0 0 0 0 10 58 1 0 0 0 0 11 26 1 0 0 0 0 11 61 1 0 0 0 0 12 29 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 30 1 0 0 0 0 14 64 1 0 0 0 0 15 32 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 30 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$ E0P5KD -OEChem-05082103123D 8 7 0 0 0 0 0 0 0999 V2000 -1.4517 -0.8553 -0.0472 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 0.7208 1.1239 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 0.8222 -1.0555 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 0.1077 0.0029 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3957 -0.0167 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -0.7785 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9914 -1.3801 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -1.4312 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ E0P9YZ -OEChem-05082103173D 3 2 0 0 0 0 0 0 0999 V2000 0.0000 -0.5548 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E0PJ5J -OEChem-05082103063D 17 18 0 0 0 0 0 0 0999 V2000 -1.6163 -0.8146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -1.3702 1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -1.3733 -1.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 2.8682 0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 0.8846 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.6319 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 0.7092 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6307 1.6544 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -1.6693 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 1.0531 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 -1.3292 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 0.0190 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 1.3151 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -2.7066 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 2.0885 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 -2.1132 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 0.2582 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 8 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 M END $$$$ E0PV4P -OEChem-05082103123D 26 26 0 1 0 0 0 0 0999 V2000 -2.2319 0.2464 0.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 1.0745 -0.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 -0.7628 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5593 1.0565 -0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -1.1116 -0.0980 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9376 -1.1730 -1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -0.2267 -1.0771 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0636 1.0441 0.4301 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5094 -1.9044 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 2.4687 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 -0.0139 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 -0.6976 1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 -1.5518 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -2.2024 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 -0.8453 -2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7678 -0.1406 -2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 0.6958 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -1.8338 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 -2.9605 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 -1.5262 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 3.1335 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 2.8578 -0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 2.5116 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 -1.6712 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 -0.8114 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 -0.0886 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0Q0RB -OEChem-05082103233D 54 53 0 1 0 0 0 0 0999 V2000 6.0644 0.2349 0.1713 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6407 -0.0284 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4616 -1.5107 -0.3943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 -0.4811 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0055 0.2919 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 0.3318 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 -0.4649 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1847 -0.4944 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5637 0.3761 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 0.2781 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8614 -0.3560 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 -0.5715 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1472 0.4673 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 0.2188 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4151 -0.3259 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 -0.5929 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6598 0.5371 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -0.3531 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 0.6325 0.2654 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3665 1.8104 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 -1.3893 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -0.8084 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 0.6102 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 1.2103 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 1.2286 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 0.6696 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3465 -1.3638 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2972 -0.8062 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -1.3871 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 -0.8474 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4998 1.2946 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6016 0.6833 1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 1.1427 -0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 0.6741 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7876 -0.7185 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9453 -1.2474 0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3609 -1.4121 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 -1.0026 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0826 1.3360 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2139 0.8584 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 1.0969 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 0.6195 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3592 -0.7181 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4942 -1.1862 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9277 -0.9417 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 -1.4590 0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7601 0.9199 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6245 1.3898 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5546 -0.0487 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 0.9536 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4559 1.4717 -1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4387 2.3836 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2101 2.4827 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3314 0.5709 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 54 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 M END $$$$ E0Q1LD -OEChem-05082103153D 24 24 0 1 0 0 0 0 0999 V2000 -0.6720 1.1275 0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -2.5239 -0.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -1.8646 0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 0.6420 1.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 2.7787 -0.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 0.6627 0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 -1.2570 0.1494 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2285 -0.9535 -0.4632 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1578 -0.1778 -0.2485 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6509 0.4849 -0.1654 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5454 1.4491 -0.5945 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4886 -0.3682 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.3301 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1998 -1.1108 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 -0.2053 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 0.7233 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 1.4031 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 -0.2991 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 -1.3311 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6813 -2.4755 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -2.7641 -0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 0.6176 1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 2.7562 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 1.5121 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0Q2ZN -OEChem-05082103043D 17 17 0 1 0 0 0 0 0999 V2000 0.0265 -2.0993 -0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4262 0.9195 -0.1674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -0.4036 0.9314 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 1.0662 0.4956 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 0.6471 -0.2505 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 -0.8619 -0.3284 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2651 0.8679 -0.9147 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0389 0.2034 0.5448 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6093 -1.0745 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 0.4261 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 0.3091 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.0411 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 2.0303 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8597 1.2189 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -1.5576 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 1.4540 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 0.7077 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0Q3PU -OEChem-05082103063D 45 46 0 1 0 0 0 0 0999 V2000 -1.4680 0.4385 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -0.8919 0.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 0.4834 -0.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -2.0054 1.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 0.6319 0.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 0.2156 2.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.7286 0.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.8347 1.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -1.8480 -2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 3.2450 -0.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 0.2057 -2.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -0.8632 -0.3037 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9301 -1.0229 0.1866 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2290 0.3737 0.6887 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5505 1.2243 -0.3791 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7534 -0.7453 0.3971 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6462 -0.7853 1.6390 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1147 -0.5553 1.2746 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2915 0.6577 0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2579 0.7203 -0.7858 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0903 -1.9271 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 2.5323 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.1903 -1.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -1.2732 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 0.5301 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 1.4361 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -1.5992 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -1.7530 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -0.4029 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.6750 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 1.7505 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1311 -2.9324 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 -1.7686 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 2.3605 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 3.1543 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.1132 -2.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 -1.2446 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.9485 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 1.5664 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 0.0666 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -1.5769 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 2.6011 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 -2.5508 -3.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.6806 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 1.1234 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 14 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E0Q3SU -OEChem-05082103423D 32 33 0 1 0 0 0 0 0999 V2000 -1.8505 -0.7705 -0.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 0.5177 1.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -1.2387 -0.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.4852 -0.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 0.1809 -0.9119 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3057 0.5141 0.5168 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2379 -0.4420 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 -0.3807 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 -0.4910 1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 0.0685 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 -0.8264 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 1.4354 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 -0.3543 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 1.9075 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 1.0125 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -2.6183 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4735 1.0684 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 1.5126 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.3517 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -1.3543 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6057 -0.5506 -2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.3046 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -1.5083 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -0.4883 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 -0.2452 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 -1.8769 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4274 2.1510 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 2.9747 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 2.4532 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1847 -3.1759 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 -2.9882 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8299 -2.8154 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$ E0Q3UJ -OEChem-05082103083D 9 8 0 0 0 0 0 0 0999 V2000 -1.5601 -0.8029 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6543 1.2846 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 -0.5993 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 0.0687 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 0.0489 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.6853 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -0.5054 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 1.1318 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 -0.3460 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0Q6DQ -OEChem-05082103073D 26 25 0 1 0 0 0 0 0999 V2000 0.5166 1.3302 -1.1366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -1.3358 -1.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.0186 1.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 1.0310 1.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 -0.1186 -0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3721 0.1020 -0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 0.4748 0.0024 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6047 -0.4724 0.0035 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9649 -0.2560 -0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9614 0.2601 -0.0078 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1762 0.6728 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.6693 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 1.1123 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 -1.1051 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 -0.9551 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 0.9595 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 1.3426 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.2728 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -1.3300 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 -1.2845 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 0.7909 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 -0.8010 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -1.7939 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 0.4178 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -0.6503 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3698 0.6793 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0Q7OI -OEChem-05082103153D 61 61 0 0 0 0 0 0 0999 V2000 2.9634 -2.6346 0.3442 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 3.1689 -0.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 2.1885 0.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -0.1374 -0.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 -4.1105 1.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1614 -2.7078 -0.8631 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 -1.6442 1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3673 0.1809 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 -2.2874 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 -1.2964 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 0.9900 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 0.2007 1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2976 0.8839 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1854 -3.5953 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -2.6611 1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -1.7829 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 1.5804 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 1.1318 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 2.3125 1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1096 1.8638 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 2.4542 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2021 3.1864 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 3.3109 0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 2.2526 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 1.0220 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9604 -1.3247 -0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6688 -2.5453 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 -1.7766 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8737 -1.2480 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 1.2167 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5602 -0.1734 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0477 -0.4116 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4506 1.9396 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9004 0.8485 -2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 0.4046 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -3.4134 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1926 -4.0257 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 -4.3525 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -3.5531 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6956 -2.8773 1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -1.8687 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -1.4579 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -2.5874 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 -0.9801 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 1.5092 1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 0.6777 -2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 2.7806 1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5216 1.9692 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 2.2515 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 4.0363 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8677 4.2240 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 3.3524 1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0554 2.2812 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 3.1561 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2591 0.9691 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9258 1.0691 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 -1.3052 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 -1.3735 -1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 -3.4568 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2409 -2.5121 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 -4.1616 1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 61 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 M END $$$$ E0QG8L -OEChem-05082103093D 20 19 0 0 0 0 0 0 0999 V2000 0.6558 0.3935 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 -0.3932 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 -0.5413 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.5414 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 0.2369 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -0.2372 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 1.0388 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 1.0489 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -1.0225 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 -1.0642 -0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 -1.2015 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -1.1803 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 1.1983 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 1.1837 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 0.8856 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 -0.4510 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 0.8607 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -0.8791 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 -0.8681 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 0.4505 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 M END $$$$ E0QK1M -OEChem-05082103073D 9 8 0 0 0 0 0 0 0999 V2000 0.1511 0.0012 0.0816 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.0035 -1.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -1.2585 0.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 1.2747 0.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -0.0138 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.8782 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -0.9195 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 -0.0087 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -0.8503 -1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0R0WE -OEChem-05082103273D 54 53 0 0 0 0 0 0 0999 V2000 7.2438 0.3284 -0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 -0.1564 1.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 -1.5706 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -1.3743 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0942 -2.3907 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.9226 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 1.3600 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 -0.6197 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 1.9525 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 1.3590 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 -2.6942 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 0.7880 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 2.4841 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 0.8265 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -3.5599 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8401 1.7249 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 2.4473 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 0.7868 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -3.8707 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 0.2564 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -0.6036 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -2.0763 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -2.3555 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 -0.8479 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 -1.8633 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -3.3435 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 2.9375 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 1.3077 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.9612 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 0.3378 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4239 -0.5581 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8056 -1.2134 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 2.5759 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 0.9403 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 2.3772 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 0.7391 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -3.1921 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 -1.7440 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9916 1.2045 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 0.7258 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 1.9282 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 3.5260 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -0.1828 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 1.4521 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -3.0521 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.5038 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6389 1.8410 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7034 3.0866 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 0.1451 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 1.8000 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 -2.9499 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -4.4899 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -4.4129 -1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0434 0.0024 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 54 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M END $$$$ E0R2GM -OEChem-05082103273D 47 47 0 1 0 0 0 0 0999 V2000 -1.6803 0.2613 1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0258 -0.3376 -0.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 -2.9921 -0.2663 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 -2.6532 -0.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4764 0.1080 -1.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 -2.0166 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 2.3519 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 2.8835 1.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -0.3260 1.6122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 3.3819 -1.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1207 -0.5532 0.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -1.9810 0.3343 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8419 -1.5692 -0.6357 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8688 -0.7886 0.7414 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6080 -0.3596 -0.0960 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6483 0.7560 0.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1989 0.1949 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3662 -0.6471 -0.3557 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2990 1.6918 -0.1702 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3802 1.9064 1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 -0.2147 0.1833 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3610 1.9745 -1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -1.0712 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -2.4193 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 -1.3707 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 -1.1638 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2379 -0.6687 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 1.1659 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 0.1392 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 -0.6114 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 2.1595 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1086 2.3733 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8976 1.5717 1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 0.8354 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 -2.5944 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1305 -2.8593 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 0.4185 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 1.5316 -2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 1.6033 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -1.0644 -1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 -2.1057 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -2.0956 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 2.2281 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.4789 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -0.0286 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 3.7184 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 0.3550 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 12 1 0 0 0 0 3 35 1 0 0 0 0 4 13 1 0 0 0 0 4 36 1 0 0 0 0 5 15 1 0 0 0 0 5 37 1 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 9 21 1 0 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0R3FK -OEChem-05082103083D 46 46 0 1 0 0 0 0 0999 V2000 1.3505 0.7244 0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1443 -1.1519 -0.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8721 -0.9272 -1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5741 -2.6076 -0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 1.5335 -1.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 1.2647 -0.9745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -2.7364 1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 2.9909 1.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 1.4434 1.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -3.9835 0.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 1.0881 -1.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0755 2.8861 -0.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -0.6042 -0.1871 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5191 -1.1827 -0.6776 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7526 0.9118 -0.0108 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3606 -0.6994 0.1980 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5479 1.2578 0.8712 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9893 -0.7402 0.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8649 0.1694 -0.5298 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3507 2.7620 1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 -1.9686 0.8932 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1128 0.7506 0.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3293 -2.8791 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 1.6979 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -1.0774 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -0.9190 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 1.2931 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4377 -1.1392 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 0.8145 1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -0.1665 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -0.3616 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 -1.6418 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 3.2441 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1403 3.2396 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7961 -0.0511 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 -0.5418 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 -2.8945 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 2.4773 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 -3.2942 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0169 -2.3425 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 0.8927 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1649 -3.0601 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 2.6003 2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 1.6823 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -3.6264 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8614 1.7099 -2.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 4 14 1 0 0 0 0 4 37 1 0 0 0 0 5 15 1 0 0 0 0 5 38 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 21 1 0 0 0 0 7 42 1 0 0 0 0 8 20 1 0 0 0 0 8 43 1 0 0 0 0 9 22 1 0 0 0 0 9 44 1 0 0 0 0 10 23 1 0 0 0 0 10 45 1 0 0 0 0 11 24 1 0 0 0 0 11 46 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$ E0R7KQ -OEChem-05082103043D 3 2 0 0 0 0 0 0 0999 V2000 -1.1970 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 2 0 0 0 0 M END $$$$ E0R9NS -OEChem-05082103053D 2 1 0 0 0 0 0 0 0999 V2000 -0.5560 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 M END $$$$ E0RE5T -OEChem-05082103343D 58 58 0 1 0 0 0 0 0999 V2000 6.2577 1.0277 0.8487 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 -1.8893 0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9304 0.7779 -0.6491 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 -1.6020 -1.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -0.2538 -0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 1.7323 -0.6262 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 0.0564 -0.2048 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3127 -0.8871 -0.0666 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3874 0.0464 0.4439 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7557 -0.5981 -0.1125 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6053 0.9817 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.4127 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -0.4124 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3119 0.4155 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 0.4607 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5074 -0.3704 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5928 -0.3895 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 0.5000 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9042 0.4028 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -0.3075 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1399 -0.4467 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 0.5344 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4546 0.3260 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6896 -0.5177 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 0.6010 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -1.3716 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 -0.4539 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -1.0829 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 1.9994 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 0.5910 2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 0.8361 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 1.2187 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0198 -0.8941 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0283 -1.2112 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2845 1.2504 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3485 0.8567 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 1.2454 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 0.9610 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 -2.4245 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6421 -1.1990 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5194 -0.8741 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 -0.8554 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5163 -1.1662 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5694 1.4141 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2464 1.2921 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 1.0035 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 1.2314 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0089 0.8515 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 -1.9940 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 -1.0866 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.7847 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1611 -1.3079 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0592 -0.8482 1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5294 0.7383 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4465 1.1786 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6688 -0.9179 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7513 -1.3584 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5957 0.0858 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 39 1 0 0 0 0 3 9 1 0 0 0 0 3 44 1 0 0 0 0 4 10 1 0 0 0 0 4 49 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END $$$$ E0RL2A -OEChem-05082103083D 18 17 0 1 0 0 0 0 0999 V2000 0.8827 -0.3016 0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 0.4390 0.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 1.6003 -0.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 -0.3773 0.3984 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6382 -1.5780 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 0.4411 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.3640 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 -0.5874 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -0.6775 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 -2.2821 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 -2.1053 -0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -1.2698 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 0.6731 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 1.2479 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -0.1099 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.9198 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 -1.4851 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 0.6592 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 M END $$$$ E0S1ZN -OEChem-05082103063D 74 77 0 1 0 0 0 0 0999 V2000 7.4996 1.5828 -0.3199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 -1.1082 -0.2032 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1192 -0.4371 0.9962 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4069 -0.5652 0.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9478 0.0601 -0.3611 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2919 -0.8444 0.1890 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3507 -0.3835 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 -0.0819 -0.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8724 -0.9821 2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 -0.4327 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -1.1293 1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 0.1295 2.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3507 -1.6209 -0.5805 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5360 -2.6262 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 0.2693 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 0.9005 -1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 0.3709 2.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 -1.5261 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 0.5131 0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 1.0788 -1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7871 -1.2758 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 1.5067 -0.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2110 -1.3511 -2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 0.2026 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 0.4923 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 1.9641 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9608 2.4322 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 2.8612 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.6430 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -1.6247 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 1.1384 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 0.2316 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.6670 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.8152 -2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 -0.3057 3.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 -1.9538 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -1.4584 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 0.1809 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -2.1380 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 -0.4196 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -0.4861 3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 1.0968 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -2.6991 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 -3.0472 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -2.8514 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 -3.1942 0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 1.8900 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 0.5660 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 0.6439 2.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 -1.7868 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 -1.6694 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5014 -2.2625 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 0.8850 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 -0.4372 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 0.1540 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 1.8311 -2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4968 -1.8725 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9223 -1.6028 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 2.5078 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -0.2938 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 -1.6408 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -1.9624 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 0.8060 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1073 0.5076 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8276 1.8603 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6571 0.2080 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3119 -0.1425 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0556 2.0552 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5096 1.7460 -1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4214 3.4218 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 2.5173 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 2.5091 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 3.8837 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1039 2.9156 0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 65 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 M END $$$$ E0S6MC -OEChem-05082103213D 12 12 0 0 0 0 0 0 0999 V2000 -3.1004 0.0418 -0.0008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.4995 0.0009 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 0.6121 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7887 -0.7631 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 1.2926 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 -1.0845 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3915 0.0328 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 0.5660 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 1.9162 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 1.9166 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -2.0988 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0S7FK -OEChem-05082103413D 20 20 0 1 0 0 0 0 0999 V2000 0.0932 -1.1066 0.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3436 0.0892 -1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 2.3901 0.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8929 -0.2040 -0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 0.5695 -0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9915 -2.1560 -0.1376 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 0.2618 0.7853 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6059 0.4585 -0.0330 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8212 1.0265 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 -0.4082 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 0.2273 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 -1.1481 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 0.4609 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 1.5092 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 -1.4735 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 -0.1462 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 -0.8522 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 2.6957 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 -0.7644 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 -0.2572 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0SA9J -OEChem-05082103283D 16 15 0 0 0 0 0 0 0999 V2000 3.1307 -0.8944 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4173 1.2726 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 -0.3496 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6893 0.4061 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 0.2043 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0738 -0.1541 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8549 -0.5603 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 0.0754 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6721 -1.4330 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 1.4906 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 1.2884 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0793 -1.2486 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 0.1903 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6143 0.1891 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 -1.6442 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 -0.5232 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0SF4Y -OEChem-05082103043D 9 8 0 0 0 0 0 0 0999 V2000 -1.1712 0.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.2120 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -1.1938 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -0.3720 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 0.9307 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 0.9052 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 0.8364 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0SG3E -OEChem-05082103243D 74 77 0 0 0 0 0 0 0999 V2000 -8.6949 0.6509 1.2174 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 -1.0823 -0.8220 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -2.2783 -1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 0.0443 -1.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.6779 0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 -0.1769 0.7428 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2386 2.4848 0.7732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 -2.4433 -0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6372 -2.2675 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 -0.5302 0.7385 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5639 -0.0442 -0.7308 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 0.5523 0.3465 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 0.2850 0.1405 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4356 -1.5594 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3606 0.6149 1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -1.5492 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -0.6165 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8937 -1.9614 1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2423 1.4162 2.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6227 -2.8551 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -0.9936 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6254 2.8183 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 3.7464 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -2.2960 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -3.2285 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 1.5018 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 2.0189 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 1.1061 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 3.3307 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 3.2336 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1259 5.0629 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 1.6274 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 4.5455 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1961 5.4584 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9756 -0.3702 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 -1.7176 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0817 0.3636 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 -3.1951 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 -2.3495 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -1.6249 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3217 -0.2684 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 -2.4958 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4481 -2.2804 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8093 -2.4454 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 -1.2223 2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 1.2867 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 0.2578 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 0.4044 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1479 -2.3854 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5438 -1.0955 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1254 -2.7107 2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 1.7303 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7150 2.3164 2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 0.8578 3.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 -3.5992 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 -4.2474 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 4.0440 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7894 2.5555 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 5.7936 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 4.8547 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4163 6.4798 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 -0.3166 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -0.6667 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 1.4135 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1355 -2.4159 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 -3.5312 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8047 -4.0496 -1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4046 -3.4073 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4749 -1.5001 -2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 -3.1491 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -2.9109 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9597 -2.8569 -1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3984 -2.7621 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6522 -1.2640 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 28 1 0 0 0 0 6 63 1 0 0 0 0 7 32 2 0 0 0 0 8 36 1 0 0 0 0 8 42 1 0 0 0 0 9 40 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 26 1 0 0 0 0 13 32 1 0 0 0 0 13 35 1 0 0 0 0 13 62 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 25 2 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 30 2 0 0 0 0 23 29 1 0 0 0 0 23 31 2 0 0 0 0 24 25 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 27 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 39 2 0 0 0 0 37 41 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 40 1 0 0 0 0 39 68 1 0 0 0 0 40 41 2 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 M END $$$$ E0SJ4H -OEChem-05082103073D 45 46 0 1 0 0 0 0 0999 V2000 -0.0229 -0.8150 -0.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 0.7383 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 -0.7489 0.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7998 1.9588 -1.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 -2.7017 -0.7891 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -1.4747 -0.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 1.1954 -0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6986 2.1805 -1.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1972 0.6998 0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -3.3492 1.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4497 2.8796 1.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1602 -0.2387 -0.1307 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7265 0.8718 -1.0158 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1533 -0.6504 0.0241 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2088 -1.3265 0.1134 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3201 -1.2924 -0.7297 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6427 -1.0193 -0.0138 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8055 0.4704 0.2897 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0818 1.3546 -0.4988 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5673 0.9868 1.0309 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0156 0.1803 -0.2057 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7064 -2.3865 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 2.4872 1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 0.2071 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 0.5401 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 -1.1605 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -1.8288 -0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 -0.9369 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6852 -1.5921 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 0.6405 0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 0.4668 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 1.9739 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 -0.3225 -1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.9544 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -2.9015 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 3.0637 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 2.7455 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 1.6245 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 -2.8440 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 -2.4175 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 1.1850 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5603 2.4617 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9095 0.0597 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -2.8843 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 2.6344 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E0SM9B -OEChem-05082103053D 8 7 0 0 0 0 0 0 0999 V2000 0.0936 -0.0002 -0.0071 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 -0.8650 -1.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -0.5569 1.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 1.4936 -0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -0.0714 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.8815 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -0.5509 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 2.0806 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0SZ4A -OEChem-05082103163D 25 25 0 0 0 0 0 0 0999 V2000 -1.3536 2.1397 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3406 -2.3017 -0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 -1.4124 0.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0983 -0.7730 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -0.4007 -0.2536 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 -0.1614 -0.2509 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8173 1.0322 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 1.1054 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 1.8706 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 1.4957 1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -1.0971 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 -1.0230 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6316 -0.4743 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 1.5275 -2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 2.9243 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 1.8217 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0852 2.5459 1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.9068 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 1.3956 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0447 -0.3329 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 -1.9210 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -1.3465 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 0.3880 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -1.8311 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 -0.9781 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$ E0T0EN -OEChem-05082103223D 19 19 0 1 0 0 0 0 0999 V2000 1.3913 1.7358 -0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 1.7354 -0.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -1.5042 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -0.6634 0.3980 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2330 -0.6642 0.3974 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7475 0.7258 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 0.7256 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4731 -1.0449 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -1.0459 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -1.7164 -1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -2.4674 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 -0.7240 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -0.7254 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -0.4164 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 -2.0895 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3246 -0.9120 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 -2.0909 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 -0.4181 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -0.9123 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0T1GY -OEChem-05082103103D 14 13 0 0 0 0 0 0 0999 V2000 -0.2577 -0.4782 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 1.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 0.4499 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6506 -0.3197 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 0.0789 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0213 -1.0053 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 1.0804 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 1.0807 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 0.3609 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -0.9687 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 -0.9690 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9158 -1.6188 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.6175 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0182 -0.5553 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0T1MM -OEChem-05082103303D 8 7 0 0 0 0 0 0 0999 V2000 -1.8438 -0.0137 -0.5568 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 1.0653 -0.3854 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 -1.1145 -0.3162 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 0.0062 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7535 0.0566 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 0.0173 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 -0.7969 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 0.9860 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0T2AJ -OEChem-05082103063D 29 28 0 0 0 0 0 0 0999 V2000 0.0565 -1.3271 0.3135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -0.0585 -0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 0.9185 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.8597 -0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 1.9626 0.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 1.5804 -0.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.4215 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 0.6111 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.2335 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -2.3372 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 0.7436 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 1.5525 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 -2.7304 1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7487 -0.0931 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 2.2254 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 -0.9842 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 1.1507 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 1.3255 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -0.5004 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 0.9537 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 -3.5417 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -3.0832 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 -1.8782 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 -0.6332 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -0.7907 1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 0.5556 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 2.9721 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 1.4801 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0841 2.7299 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M END $$$$ E0T2PX -OEChem-05082103103D 43 42 0 0 0 0 0 0 0999 V2000 6.8251 -0.1097 -0.0043 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 0.5233 0.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 1.1858 0.2292 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -0.9711 1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0895 -0.6287 -1.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 0.4694 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4647 -0.3632 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -0.3804 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 0.4295 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 0.4523 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -0.4553 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 -0.3975 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3322 0.3416 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 0.4826 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5808 -0.5383 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1894 -0.3385 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8509 0.2981 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1707 1.0969 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 1.1494 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 -1.0039 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 -1.0385 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 -0.9994 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9076 -1.0686 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 1.0374 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7989 1.1277 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 1.1313 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 1.0812 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9759 -1.0995 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0278 -1.1188 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -1.0848 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -1.0095 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3178 1.0175 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3856 0.9744 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 1.0941 0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 1.1926 -0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5644 -1.1304 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5870 -1.2431 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 -1.0179 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 -0.9355 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9107 0.8748 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7320 -0.3487 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8884 0.9966 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 0.9953 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 2 16 1 0 0 0 0 3 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 M END $$$$ E0T9HR -OEChem-05082103303D 5 4 0 0 0 0 0 0 0999 V2000 0.0230 0.0758 -0.5776 P 0 3 0 0 0 0 0 0 0 0 0 0 1.1415 -0.8131 0.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -0.5531 0.1732 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1532 1.2903 0.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -1.7482 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0TD8C -OEChem-05082103063D 14 13 0 1 0 0 0 0 0999 V2000 2.2268 1.1231 0.0436 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 1.1718 0.9125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 0.4956 -1.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -1.9834 0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1262 -0.6592 0.4341 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4925 -0.5194 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 0.3716 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -0.5515 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.2704 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 -0.6634 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 -2.1083 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2095 -2.7023 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 1.8238 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 1.8374 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0TH0K -OEChem-05082103073D 27 28 0 1 0 0 0 0 0999 V2000 1.4762 -0.8154 1.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 -1.9472 0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 2.0044 0.5482 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8759 0.3655 -0.5832 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 1.1323 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 0.9845 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 0.1349 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 0.4881 0.0402 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9823 0.7078 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 2.2702 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 -1.2045 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1751 0.0055 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -0.8852 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -1.9193 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2274 -1.3216 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 0.2941 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 1.9497 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 1.1902 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 3.2449 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 2.6639 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 -1.6864 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0301 0.4699 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -2.9522 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 0.1348 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1549 1.2657 -0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 -1.8953 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 -1.7057 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 12 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 26 1 0 0 0 0 M END $$$$ E0TI0V -OEChem-05082103433D 52 53 0 1 0 0 0 0 0999 V2000 -0.3808 -1.2800 -1.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.4822 0.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -0.4268 0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 0.4238 -3.0359 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 -2.1054 -0.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 0.7485 -0.8383 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 2.8440 -1.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 2.3533 0.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 -1.3345 2.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 3.0836 1.3073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -0.8698 3.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 -0.6772 -0.8602 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3379 -0.8783 -0.1375 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8998 0.6551 -1.6282 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7189 -0.8793 -0.7974 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4299 0.2369 -0.0675 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0837 1.5419 -1.2491 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3059 1.2473 0.0827 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1928 1.6838 0.2679 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1589 0.3122 0.9494 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9721 -1.6641 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -1.7785 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 2.1958 1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 0.4327 2.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 -2.9342 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 -3.4130 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 1.2311 -1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.6632 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 -0.0918 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 1.1677 -1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 1.8343 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 2.3157 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -0.2636 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 -1.2249 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 -1.9362 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 -1.8134 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -2.8172 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5361 1.6485 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 2.7786 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 0.9600 2.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 0.9548 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 0.1206 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 -2.7887 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 1.0572 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 3.2115 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -3.5145 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 1.7854 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -1.9474 2.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 3.6765 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 -0.7705 3.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -4.3483 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 -2.8857 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 14 1 0 0 0 0 4 42 1 0 0 0 0 5 15 1 0 0 0 0 5 43 1 0 0 0 0 6 16 1 0 0 0 0 6 44 1 0 0 0 0 7 17 1 0 0 0 0 7 45 1 0 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 10 23 1 0 0 0 0 10 49 1 0 0 0 0 11 24 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 24 1 0 0 0 0 20 33 1 0 0 0 0 21 25 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$ E0TU6R -OEChem-05082103213D 15 15 0 0 0 0 0 0 0999 V2000 1.4559 0.0667 0.0249 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.2485 -0.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 0.1430 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 0.0234 1.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7728 2.2526 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 1.3787 -0.1048 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 -1.2157 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -0.0980 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 1.2755 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -2.5779 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 2.3209 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -0.1619 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 -3.1183 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -2.5367 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 -3.1531 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E0U2AB -OEChem-05082103213D 54 58 0 0 0 0 0 0 0999 V2000 2.6720 2.3271 0.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 2.3294 0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 -0.2302 0.5741 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -0.2286 0.5724 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 1.0397 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 1.0402 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.1514 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -0.1506 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 3.5385 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 3.5390 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 2.2888 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 2.2900 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.3358 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 -1.3354 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 4.7292 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 4.7302 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -1.2616 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7066 -1.2601 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 5.9142 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 5.9146 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 -1.3470 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9421 -1.3450 0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3664 -2.2061 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 -2.2044 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 -3.3115 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4921 -3.3092 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8324 -2.3703 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8334 -2.3681 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 -3.2294 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -3.2275 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -4.4049 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4445 -4.4037 -0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 -2.2709 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -2.2702 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 0.6066 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 0.6085 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4842 4.7579 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 4.7598 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 6.8377 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 6.8385 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -0.6201 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 -0.6185 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 -2.1533 -1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -2.1523 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7908 -2.4226 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7897 -2.4226 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 -3.9525 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 -3.9529 -1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1033 -4.0842 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 -4.6822 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9103 -5.3078 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2614 -5.2752 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4827 -4.0818 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3375 -4.7051 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 23 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 29 2 0 0 0 0 23 43 1 0 0 0 0 24 30 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$ E0U3EK -OEChem-05082103213D 15 14 0 0 0 0 0 0 0999 V2000 1.2663 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 -1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 -2.1856 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9046 -1.4493 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 -1.4490 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 1.0203 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 2.0394 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 1.0203 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.8087 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -1.6851 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -1.6852 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0U4QR -OEChem-05082103143D 43 45 0 0 0 0 0 0 0999 V2000 -7.6335 1.4215 -0.0213 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 1.3194 -0.2721 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 1.2866 -0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9631 1.7105 1.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5855 -4.3788 0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 2.7100 -0.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5009 0.3452 -0.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 -3.5351 -0.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3753 1.5614 1.2063 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4165 0.1865 -0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 2.6009 -0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.6829 -0.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 -2.0068 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 -0.5178 -0.3316 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 -0.3093 0.7514 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 -0.1932 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 0.0759 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -2.0927 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -0.8965 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6196 1.1840 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -1.0649 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 0.8021 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 1.6791 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7744 -0.5698 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 -3.3807 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0691 0.8399 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4363 0.0765 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 1.8064 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 -0.5092 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 1.4237 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 -0.8919 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 -2.7568 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 1.9325 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 -2.1388 0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 2.7516 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5972 -1.2711 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 2.8636 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -1.2785 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 2.1831 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -1.9450 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3876 2.3822 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 -5.2626 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 0.7684 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 26 1 0 0 0 0 3 17 2 0 0 0 0 4 41 1 0 0 0 0 5 25 1 0 0 0 0 5 42 1 0 0 0 0 8 25 2 0 0 0 0 9 43 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 37 1 0 0 0 0 29 31 2 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M END $$$$ E0U7LV -OEChem-05082103313D 41 42 0 1 0 0 0 0 0999 V2000 2.2635 -0.8403 0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.4966 0.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7204 2.4477 0.4079 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8385 -0.1602 -0.1438 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 2.6673 -0.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 -3.4305 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 1.3937 -0.2306 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5114 0.0649 0.3244 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5031 1.5653 0.0386 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6145 -1.0925 -0.1212 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7188 0.3160 -0.3627 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0382 -2.4125 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -0.6278 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8344 -0.3781 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8893 -0.3762 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 -0.1503 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 0.4806 0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3116 -0.5733 -1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8773 0.6944 1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6359 -0.3594 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 0.2746 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2092 1.4795 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 0.1197 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 1.8067 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6443 -1.2170 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 0.1871 -1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9717 -2.3706 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0585 -2.6886 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 2.3026 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -0.2175 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 2.4726 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -1.5262 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 -0.7993 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 -3.1721 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9502 -0.2264 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -0.5642 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7754 0.8437 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1075 -1.0697 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0983 1.1924 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 -0.6863 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9499 0.4423 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$ E0U9HW -OEChem-05082103263D 24 24 0 1 0 0 0 0 0999 V2000 -0.3607 -1.3737 0.7522 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 1.5078 1.1872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 -0.9204 -1.4398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 1.9588 -0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -0.6823 -0.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 0.6210 -0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 0.9036 -0.1072 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0567 -0.4448 -0.0942 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1523 0.7155 -0.5213 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8266 -0.3587 0.3323 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9822 -1.6276 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -0.2993 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 1.6073 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 0.4337 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 0.0127 1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9861 -2.1275 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 -2.3477 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 0.0443 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 -1.2601 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.8511 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9094 -1.5255 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 2.6078 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -0.9954 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 0.6936 0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0U9NK -OEChem-05082103063D 27 27 0 0 0 0 0 0 0999 V2000 -2.1076 -0.0513 0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -2.7078 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 1.7977 -0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0728 -0.9266 -0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 2.1730 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -0.9616 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4933 0.3082 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 0.4814 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 1.3814 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 -0.8915 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2026 0.9748 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.3644 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 0.9085 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -0.6573 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.4644 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 -1.5771 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.5640 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 0.9027 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 0.9067 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 2.4531 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -1.6240 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0921 -0.0893 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3954 -1.5871 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1091 -0.0747 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -2.8550 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 2.7015 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.1620 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0UT5F -OEChem-05082103093D 40 40 0 1 0 0 0 0 0999 V2000 0.2475 -0.1361 0.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 -1.8608 1.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -2.1560 -0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 0.1377 -0.1613 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4872 -0.6267 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 1.5548 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6891 0.0854 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 -0.7280 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0056 -0.6728 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 1.6060 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 0.0415 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -0.8091 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 -0.0895 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 -0.7982 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 1.2867 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 -0.1033 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6846 1.9816 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 1.2867 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 0.2778 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -1.6157 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -0.8083 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 2.1751 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 2.0398 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5047 0.2322 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 1.0795 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -1.7186 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -0.8640 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 -1.6669 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1854 -0.8269 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5977 1.0765 2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 2.6470 2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 1.1791 2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1175 -0.5435 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3465 1.0247 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0787 0.1818 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 1.8553 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8216 -0.6315 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6616 3.0642 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7586 1.8280 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 -2.4584 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 14 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$ E0V3RU -OEChem-05082103073D 26 25 0 1 0 0 0 0 0999 V2000 -2.3027 -1.9535 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 -0.5315 1.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8917 1.6021 -0.3339 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -0.2357 0.0497 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9181 -1.4167 -0.3497 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 0.7627 0.2805 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 0.4929 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 0.8748 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2988 0.3560 -0.8131 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3447 1.0326 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7459 -0.7207 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -0.2630 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 -0.4537 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 1.2540 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 1.8211 0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 0.1088 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 0.1202 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6008 1.8203 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 1.3401 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 1.5421 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 2.3685 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 -2.6477 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 -2.2611 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 -1.4589 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1395 0.6251 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 1.6857 0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0V5AX -OEChem-05082103083D 22 21 0 1 0 0 0 0 0999 V2000 0.0350 -1.6445 -0.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 1.6290 0.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 1.6428 0.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 -0.6169 1.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.6434 1.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 -0.3549 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 0.3744 -0.5579 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2973 0.3759 -0.5633 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5838 -0.3719 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -0.3905 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 -0.4969 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 0.5833 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 0.5571 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 0.2281 -0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 -1.3299 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4547 0.1996 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 -1.3465 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -1.5094 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 2.1799 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 2.1066 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 0.2421 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -1.1260 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0V6KE -OEChem-05082103053D 14 13 0 0 0 0 0 0 0999 V2000 1.0051 -0.1135 0.0174 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 1.2404 -0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 -0.9745 -1.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -0.6011 1.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 0.2190 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 0.6381 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 -0.4084 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 1.3111 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 1.2314 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -1.0765 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 -1.0300 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -0.5027 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1192 0.7747 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 1.6189 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 14 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ E0V6QI -OEChem-05082103083D 19 19 0 0 0 0 0 0 0999 V2000 -2.4002 -0.8394 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 -0.3105 -0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3204 1.4612 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 0.1886 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5334 1.3039 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 -1.0946 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9181 1.1361 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 -1.2625 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4654 -0.1470 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 0.3633 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8313 -0.7992 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 2.3123 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.9917 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 2.0131 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0486 -2.2643 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2008 -1.8280 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1933 -0.2939 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -0.2941 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 0.5652 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0V9NU -OEChem-05082103263D 81 84 0 1 0 0 0 0 0999 V2000 -6.4759 1.4137 0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 0.6203 0.4367 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4652 -0.7497 0.0351 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6215 0.2892 0.3461 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2562 0.5861 -0.0938 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0507 -0.6692 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -0.8409 -0.1065 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7028 0.4785 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 -1.7077 0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 1.6901 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.1410 0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 1.7538 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4886 -0.8806 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 -1.9270 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 -1.7559 0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8097 1.3710 -1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 1.2613 1.0195 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7640 1.0754 1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 -1.1967 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 0.3340 -0.8391 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1497 0.8832 -1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 1.3657 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 -2.1654 -0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0736 -1.0094 1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 0.8425 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 2.6684 0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5703 0.7904 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 0.4347 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -0.7883 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0872 -0.9341 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -2.0924 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 0.2398 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6279 -1.2674 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 -2.7450 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 -1.7167 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.4926 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 2.6950 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 -1.1561 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 -1.7625 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 2.0902 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 2.5511 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 -2.6816 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -2.3346 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6998 -2.7496 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 -1.3534 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 1.3188 -2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 2.4369 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3952 1.3046 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 1.0671 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2234 0.4350 2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 2.0973 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 -0.5268 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 -1.2669 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -2.1948 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0324 0.0215 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6173 1.7182 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9566 0.1074 -2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 2.3791 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6137 1.4948 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 0.8740 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0234 -2.2633 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5281 -3.0718 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 -2.1498 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1691 -0.9700 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7362 -0.2139 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -1.9630 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 -0.1334 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 1.5459 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 2.6660 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 3.1861 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 3.2972 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 2.1014 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 1.7604 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 0.0719 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 1.2995 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 0.0322 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4785 -1.4577 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3507 -1.5090 -1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1877 -2.6602 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7704 -1.9607 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0359 -2.6934 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 72 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 21 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 2 0 0 0 0 28 75 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 M END $$$$ E0VB2Y -OEChem-05082103163D 48 47 0 1 0 0 0 0 0999 V2000 4.8369 -0.2378 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4059 0.1245 -0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 1.5566 0.2869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -0.3993 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 0.3721 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 0.4544 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2538 -0.4476 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 -0.3143 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5248 0.3899 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 0.5449 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8125 -0.4139 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 -0.2642 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 0.4249 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 0.5618 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3317 -0.4342 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0456 0.3870 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 -0.5737 -0.3549 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2077 -1.7309 0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 -0.8070 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.2560 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9421 0.8353 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 1.1970 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 0.8524 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 1.3175 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2689 -0.9370 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 -1.2462 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 -1.1700 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.7237 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5035 1.2187 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5356 0.8386 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 0.9359 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1172 1.4071 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8392 -1.2336 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7908 -0.8764 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -1.1445 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 -0.6542 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0935 1.2102 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0985 0.9215 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 1.4174 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 0.9338 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3660 -1.2071 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2297 0.1839 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3611 -0.9252 -1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 -0.9197 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3173 -1.3675 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2941 -2.3312 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -2.3836 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 -0.4626 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 48 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 M END $$$$ E0VM7C -OEChem-05082103133D 16 16 0 0 0 0 0 0 0999 V2000 1.0953 -1.7042 0.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5109 0.5758 0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 0.3643 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 1.3470 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.9910 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 -0.7974 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 1.2054 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 0.5790 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 0.3907 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7776 1.6553 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 2.2264 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -1.2275 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 -1.7915 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 0.4539 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 1.9166 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9668 1.7321 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E0VR2M -OEChem-05082103053D 50 49 0 0 0 0 0 0 0999 V2000 -9.5605 0.6695 -0.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5332 -1.3534 0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.4356 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 0.4509 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 0.4092 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -0.3346 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -0.4722 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 0.5050 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.3187 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 -0.3321 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -0.5009 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 0.5561 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1645 0.3517 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9165 -0.2275 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4506 -0.4776 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 0.6435 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 0.3603 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4681 -0.1310 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 -1.1149 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7587 -1.0564 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 1.0745 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 1.1356 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0499 1.1058 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0675 1.0123 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8365 -0.9824 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 -1.0030 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -1.1927 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -1.0564 -0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 1.1259 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 1.1921 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5908 1.0785 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 0.8661 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 -0.9849 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 -0.9811 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 -1.2311 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8533 -1.0741 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5713 1.2318 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5806 1.1888 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1435 1.0427 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 0.9681 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9460 -0.9033 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 -0.8708 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4539 -1.0823 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 -1.1782 0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1671 1.2837 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1683 1.2834 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7586 1.0487 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6026 -0.2843 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7686 0.9489 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3937 0.1519 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 50 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 M END $$$$ E0VT4B -OEChem-05082103073D 8 7 0 0 0 0 0 0 0999 V2000 1.5468 -1.3431 0.6456 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 -1.3437 -0.6444 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 1.1910 0.4442 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.0970 -1.4234 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 0.0987 1.4233 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 1.1906 -0.4454 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 0.0546 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 0.0549 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ E0VX5C -OEChem-05082103053D 81 82 0 1 0 0 0 0 0999 V2000 3.1682 0.0819 0.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 -4.0320 0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.5351 -0.8804 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6373 1.5667 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.6372 -1.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 2.4549 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 4.3865 0.1828 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1073 3.5008 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6097 -1.4696 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 3.5375 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 1.2405 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.7380 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 2.6673 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -0.9550 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 1.8409 1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 0.8870 1.4028 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5537 5.3340 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -0.3569 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 -2.7670 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -1.2229 1.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 -1.3692 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7382 -2.2563 1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 0.5002 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -3.0258 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6692 -0.8452 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -0.2650 -2.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 -3.6030 -1.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -0.3948 2.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0841 -2.5415 3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 0.2882 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -1.3422 -2.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 2.1722 -2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 1.0697 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 -1.2899 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 -0.2826 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 2.9694 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 1.8253 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 4.9934 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 2.9989 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 4.1498 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 -2.4057 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 -0.9590 -2.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 4.2248 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 2.9266 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 1.6725 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 2.0328 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 0.5332 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0172 1.9824 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 3.2904 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 1.2619 2.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.5539 2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 1.4404 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 4.7993 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 6.0284 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 5.9310 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 -0.0494 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -0.8836 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -2.2390 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 -1.7601 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 1.3914 3.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -0.0650 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 -0.1076 3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3459 -1.6654 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 -0.0771 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 0.5671 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -4.3125 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -4.1772 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 -2.9758 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -0.0128 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 0.4904 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -0.9871 3.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 -2.1041 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -3.6206 3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 -2.1661 3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7654 -0.4967 -3.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 0.7183 -4.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6683 1.0765 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 -2.2346 -3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 -1.6421 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 -0.9676 -3.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -3.8846 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 M END $$$$ E0W0XS -OEChem-05082103093D 13 13 0 1 0 0 0 0 0999 V2000 -0.0218 0.9508 0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.1505 0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 0.6154 -0.0951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 0.0865 0.3926 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6257 -1.2401 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 0.5592 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 0.1787 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.0841 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -2.0793 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 -1.3980 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 0.6471 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 -0.1244 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6511 1.5567 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M END $$$$ E0W5DF -OEChem-05082103333D 57 57 0 1 0 0 0 0 0999 V2000 -0.5733 -1.4956 -2.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 0.0040 -1.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2757 -4.3741 0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 -3.2178 2.5694 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5618 -1.0122 0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 -1.7958 -0.1845 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -0.8730 -0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 1.1950 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 -0.2349 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9535 -0.4149 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0515 1.6122 1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3824 1.2905 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0494 2.1768 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 -1.9840 0.2669 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9131 -3.4707 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 -1.4436 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 -0.2720 -1.2318 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5791 1.2110 -1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -3.6675 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 2.0882 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 -0.4805 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 2.2837 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 2.7015 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5639 3.0927 1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9058 3.5104 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 3.7059 2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 -0.1354 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0463 -0.9375 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -0.5250 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 0.2578 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -0.1635 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 1.6755 1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5185 2.5981 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6473 0.8982 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7936 2.3022 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0761 0.6021 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 1.0324 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0804 2.2892 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 1.8567 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 3.1778 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -1.4200 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 -2.4090 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -4.0199 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7599 -3.9439 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 -0.8014 -2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 -0.8622 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 1.3076 -1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 1.6148 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 1.8139 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 2.5655 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3245 3.2451 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 3.9892 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 -4.4820 1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 4.3361 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2379 0.2938 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 -1.1931 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 0.4102 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 19 1 0 0 0 0 3 53 1 0 0 0 0 4 19 2 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 42 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 23 25 2 0 0 0 0 23 50 1 0 0 0 0 24 26 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$ E0W6SA -OEChem-05082103043D 5 4 0 0 0 0 0 0 0999 V2000 -1.1685 0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -1.4875 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 1.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ E0WA2U -OEChem-05082103073D 5 4 0 0 0 0 0 0 0999 V2000 -0.2945 1.6547 -0.5002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 -1.0825 -0.5002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -0.5723 -0.5000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0001 1.4304 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0X2JN -OEChem-05082103143D 34 36 0 0 0 0 0 0 0999 V2000 -0.2492 -2.9264 -0.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 -0.2500 -0.5384 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 -0.0858 0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 0.3410 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2689 -0.0770 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 -0.6254 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 -1.4489 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 1.7129 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 -1.9843 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2791 0.8894 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -2.3953 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 2.6593 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9838 2.2483 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 -0.6753 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 0.2893 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 -0.2845 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 1.6418 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 -2.1308 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 1.0692 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 2.0324 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 -1.7929 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 2.0770 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 0.5910 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 -3.4504 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 3.7174 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7744 2.9855 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 -1.0226 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 2.4004 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 -2.7277 0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3749 -2.3267 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 -2.4846 -0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 1.3735 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 3.0864 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 -3.8094 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 7 11 2 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 17 20 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$ E0X5RB -OEChem-05082103123D 22 22 0 0 0 0 0 0 0999 V2000 2.0620 -0.6049 1.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -0.0023 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 0.0034 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 1.4006 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 -0.8471 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.2135 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 -1.2012 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0178 1.2191 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 -1.1956 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 0.0145 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3119 1.3088 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9639 1.9481 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 2.0014 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -0.8360 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 -0.4663 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.9023 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1298 2.1787 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 -2.1575 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7554 -1.5266 1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 2.1608 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 -2.1332 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 0.0188 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0X8DD -OEChem-05082103273D 16 15 0 1 0 0 0 0 0999 V2000 0.2674 -1.1369 -1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -0.6853 1.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 1.3538 0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.1344 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -0.7589 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -0.6706 0.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.0996 -0.6013 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5071 0.3058 0.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9524 0.1710 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 0.1871 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 0.8742 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 1.2793 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 -1.8528 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -1.5583 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 1.3682 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 1.0451 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0XB9Z -OEChem-05082103043D 7 6 0 0 0 0 0 0 0999 V2000 1.1443 0.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 -0.1493 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 1.2719 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 -0.1468 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 -1.5252 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0XG3Z -OEChem-05082103063D 24 23 0 1 0 0 0 0 0999 V2000 -2.7908 -1.6235 -0.3318 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 0.2615 0.6609 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 1.7690 -0.0718 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8579 -0.3942 0.2918 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 0.3292 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 -0.2958 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 -0.3826 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 0.3533 -0.4323 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6883 0.3006 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 -0.3175 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 1.3818 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 0.3162 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2045 -0.2620 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 -1.3614 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 -1.4306 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -0.3832 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 0.2891 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 1.3445 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 0.2970 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 1.8676 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 2.1750 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.3724 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 0.1029 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 -2.0269 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0XP0L -OEChem-05082103223D 42 42 0 0 0 0 0 0 0999 V2000 -0.3068 -0.5308 0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -2.5117 0.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8413 2.8574 0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0681 -1.0954 -0.9498 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 1.6086 -0.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 0.2958 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9564 -0.2754 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 -0.7543 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 0.7588 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0532 -0.1357 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4383 0.1194 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 -1.1634 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5269 1.1336 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -1.3231 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.5467 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7754 -1.1949 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 0.7990 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 1.5284 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 -0.4655 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9786 0.8961 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4235 1.0927 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 0.7620 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -0.7037 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 -1.1014 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 -1.2092 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 -1.5556 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8808 1.2125 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9902 1.5641 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 0.3060 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 0.6912 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6218 -0.3142 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 -0.6987 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 -1.5724 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -1.9812 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5213 1.9515 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3904 1.5605 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5111 0.6558 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -2.2549 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 1.2991 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 3.1219 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8624 -2.0335 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9588 2.5313 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 3 40 1 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 20 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ E0XR9O -OEChem-05082103083D 27 27 0 0 0 0 0 0 0999 V2000 -0.3282 0.2656 0.6148 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 0.7884 -0.0368 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8242 0.3830 -1.7335 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 0.0655 0.4836 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -1.5392 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 0.9140 0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 -0.0755 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 0.5568 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -1.4201 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 2.3614 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 -0.7889 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -1.7772 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 0.4570 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2792 -0.1906 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 1.3142 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 -2.1975 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 2.5534 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 2.9943 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 2.6770 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 -1.0672 -0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 -2.8249 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 0.5597 -2.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 0.1543 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9132 1.0152 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -0.6841 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 -1.8939 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7631 -2.2242 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 14 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0XX6I -OEChem-05082103083D 15 14 0 0 0 0 0 0 0999 V2000 -1.1444 -0.6878 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.5540 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4058 -1.5793 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2953 0.3757 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 0.8155 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 -0.3681 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 -2.0559 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -2.0563 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.5249 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.8806 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -1.3051 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7981 0.1974 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 0.1975 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0Y4VO -OEChem-05082103053D 42 42 0 0 0 0 0 0 0999 V2000 0.2543 -1.3257 0.9179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 1.3244 -0.9152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 0.3910 2.3883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1826 -0.3919 -2.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 -2.7400 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 2.7410 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -2.4224 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 2.4249 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -1.5804 1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 1.5808 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 -0.1464 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7581 0.1466 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1887 -3.5660 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 3.5692 1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -0.3086 1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 0.3055 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -0.2931 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9664 0.2925 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1739 -0.1471 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 0.1458 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -2.9728 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 -3.6293 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 2.9735 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 3.6298 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0723 -1.5148 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 -2.2309 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 1.5174 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 2.2336 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3201 -1.8455 2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -0.6847 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 1.8431 -2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 0.6824 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -4.4836 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 -3.3167 -2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 -3.7660 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 4.4867 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 3.3209 2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1514 3.7690 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 -0.5228 2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 0.5219 -2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 -0.2616 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 0.2597 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$ E0Y7QF -OEChem-05082103093D 22 21 0 1 0 0 0 0 0999 V2000 1.1653 1.2597 0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 1.2625 0.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 -0.0663 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 -0.7369 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 -0.0690 -0.3015 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2735 -0.8536 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 0.0363 -1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -0.8326 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 -0.7301 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -1.7864 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3718 -0.0327 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 -1.8820 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 -0.8836 1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -0.3743 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 0.4421 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -0.9407 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7153 0.7256 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 -1.8642 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -0.8463 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 -0.3427 -0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 1.6512 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 1.7701 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E0YA3D -OEChem-05082103053D 14 13 0 0 0 0 0 0 0999 V2000 2.8998 -0.8740 0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 0.8812 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 1.2670 -0.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -1.2651 -0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -0.5438 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 0.5341 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 0.0626 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9199 -0.0620 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -1.1857 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.1642 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.1567 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 1.1747 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -0.4688 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7906 0.4818 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END $$$$ E0Z0TY -OEChem-05082103073D 45 46 0 1 0 0 0 0 0999 V2000 -0.1247 -0.3784 -0.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 0.3057 1.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 1.2964 -0.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 -2.1944 1.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3847 -2.8811 -0.5439 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 -2.1228 -0.9927 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 0.7282 -1.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -2.1309 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 0.5107 0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 3.2878 -1.4875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 2.9850 1.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -0.0593 0.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0246 -1.3204 0.1584 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0183 -0.7970 0.6380 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8068 1.0253 -0.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0402 -1.8240 0.1475 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0825 -1.1885 -0.7706 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6762 0.0647 -0.1243 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4812 -0.9874 0.4819 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5730 1.0012 0.3868 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9923 0.1670 -0.3801 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0229 2.3327 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 2.1795 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 0.3323 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -1.8581 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -1.2861 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 0.7066 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5564 -2.2685 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 -0.9634 -1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 -0.2255 0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 1.4057 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5753 -0.7572 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 -0.1220 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 2.7322 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 2.2108 -1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 1.8422 2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 2.7936 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 -2.9820 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 -2.4879 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7219 -1.7531 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2455 0.1644 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 -1.8873 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3143 0.4499 1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5859 3.3916 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4758 2.4236 2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E0Z6QA -OEChem-05082103043D 14 14 0 0 0 0 0 0 0999 V2000 2.8466 -0.3870 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1013 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7147 1.0393 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -1.3354 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 0.5050 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7902 -1.9194 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 1.8637 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 -2.3599 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 -0.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 1.5653 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0ZB1O -OEChem-05082103373D 27 26 0 1 0 0 0 0 0999 V2000 0.3726 -0.2004 0.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 1.3719 0.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.1445 -1.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 -0.1499 0.6019 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8772 0.8475 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -1.3998 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.5750 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -0.5165 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -0.0360 0.4159 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1420 2.1201 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 -0.3174 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 0.3240 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2954 0.3858 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 1.1152 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1697 -1.9090 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0989 -2.1146 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -1.1452 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7729 -0.5038 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -0.0030 -1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -1.5994 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 2.6062 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 2.8267 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 1.9160 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 0.2049 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 0.0475 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 -1.3890 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4116 1.6637 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ E0ZC1W -OEChem-05082103073D 17 16 0 1 0 0 0 0 0999 V2000 0.6999 -1.5909 0.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 -0.9167 -0.8203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 -0.6098 -1.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 1.6834 0.0854 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 0.1565 1.1081 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 0.7436 0.3906 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5174 1.0666 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -0.6457 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.1130 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 0.8127 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 2.0889 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2732 0.9867 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 1.6193 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 1.4403 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 0.7905 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -0.4370 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 -2.4882 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0ZJ4T -OEChem-05082103113D 50 50 0 0 0 0 0 0 0999 V2000 -0.3231 2.2623 -0.7496 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 0.5280 0.5393 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.3227 0.5331 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 -2.2102 -0.1532 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8921 -1.6812 -0.3075 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 1.4350 0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 2.2521 -0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.9920 -0.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 -0.1585 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 -1.4773 -0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 1.4935 -2.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 4.0400 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 0.3583 2.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 1.3758 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 2.2272 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 1.0833 2.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 -3.3699 -1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 -3.2121 1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 -2.7116 1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 -2.5651 -1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1229 0.4569 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 2.0515 -3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 1.5077 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 4.5986 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 4.5413 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 4.0657 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 -0.2557 2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -0.1127 2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 1.3409 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0154 0.7940 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.3733 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9148 1.4793 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 2.3975 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 3.1962 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 1.6390 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 0.5605 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 0.4953 2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 2.0508 2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 -4.1706 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 -3.8255 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5084 -2.8264 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 -3.6306 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -4.0387 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 -2.5843 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0321 -3.7233 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -2.7871 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1069 -2.2584 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 -3.5623 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 -2.0008 -2.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5296 -2.6738 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 M END $$$$ E0ZW5O -OEChem-05082103053D 15 14 0 0 0 0 0 0 0999 V2000 -2.5643 -1.1122 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5894 -1.1006 -0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.0930 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 0.9464 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 0.9357 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5361 0.1137 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 0.1241 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 -0.5383 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -0.5968 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 1.5620 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 1.6128 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2866 1.5575 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 1.6015 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 0.6932 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.7209 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E00ARE -OEChem-05082103133D 54 54 0 0 0 0 0 0 0999 V2000 2.5362 1.8395 0.2159 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4674 2.6294 -0.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1345 -2.9038 1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2951 -1.6176 -0.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6781 -3.5670 0.2278 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1544 1.1727 0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1072 0.2014 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7469 1.1847 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5575 0.2056 0.2185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 2.1467 0.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4441 -0.8261 -0.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3771 2.1418 -0.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 -0.8815 0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5421 3.0983 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7512 -1.9296 -0.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9513 3.1317 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1738 -1.8908 -0.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8035 1.7268 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 0.3330 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 0.0023 -0.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4799 -0.6463 0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -1.9563 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 -1.3078 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2242 -2.2871 0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0956 0.9069 1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5745 2.1847 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7030 -0.8141 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1095 0.4283 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8087 1.4603 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3312 0.1704 -0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9837 1.2064 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5609 0.0078 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 3.1629 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 1.8777 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9864 -1.8184 -0.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4826 -0.5985 -1.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4168 2.4353 -1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0257 1.1227 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8277 -1.0911 1.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3313 0.1079 -0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1223 4.1107 0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 2.7740 1.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3287 -2.9285 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7712 -1.7518 -1.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 3.8390 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9176 3.4626 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6336 -0.9131 -0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7872 -2.6488 -0.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1916 -2.0911 1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2209 0.7609 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 -0.4185 0.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2872 -2.4953 1.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7138 -0.8167 -1.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9781 -4.1033 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 18 2 0 0 0 0 3 22 1 0 0 0 0 3 52 1 0 0 0 0 4 23 1 0 0 0 0 4 53 1 0 0 0 0 5 24 1 0 0 0 0 5 54 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 M END $$$$ E00HIM -OEChem-05082103253D 55 55 0 0 0 0 0 0 0999 V2000 -5.2365 1.2175 -0.0797 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8112 0.4231 0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3554 1.8360 -1.3857 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3930 1.9871 1.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9673 0.4478 0.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6019 -0.2407 0.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -0.5282 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4235 0.7323 0.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4811 0.2136 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0869 -0.0111 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6973 -0.7172 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0930 0.9611 0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0627 -0.0316 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4267 0.2175 0.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2779 -0.9586 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6059 1.1758 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6025 -0.2398 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4474 -0.0661 -0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9601 -0.5026 1.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8917 -0.6442 -1.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9166 -1.5174 1.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8484 -1.6589 -1.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3607 -2.0954 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0201 1.0239 -0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0543 1.1685 0.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -0.8057 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 -0.9714 -0.6784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1085 -1.0981 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -1.2489 -0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 1.4481 0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 1.3083 -0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5634 0.9263 0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5021 0.8019 -0.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -0.7105 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 -0.6065 1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -1.2978 0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6015 -1.4425 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0397 1.6475 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0285 1.5707 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0940 0.5162 -1.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1461 0.7222 0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4776 -0.4959 -0.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -0.3821 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2886 -1.4609 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1821 -1.7425 -0.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 1.7596 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 1.8647 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6400 0.2391 -1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4340 -0.9483 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7488 0.5311 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6234 -0.0721 2.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5011 -0.3266 -2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3144 -1.8588 2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1930 -2.1107 -2.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1048 -2.8862 0.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 18 1 0 0 0 0 2 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 20 22 2 0 0 0 0 20 52 1 0 0 0 0 21 23 2 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 23 55 1 0 0 0 0 M END $$$$ E00ONP -OEChem-05082103093D 23 22 0 0 0 0 0 0 0999 V2000 -1.1458 -0.1573 -0.3543 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1818 1.8218 0.3339 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 -0.5055 -0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 0.2775 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6210 0.3376 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -1.7857 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 0.7619 -0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 0.1807 0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3555 -0.9311 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8992 -0.7794 -0.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 -0.3257 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 1.1608 -1.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8584 0.5595 1.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4341 -0.1959 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0253 1.2855 0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 -1.5800 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9905 -2.3797 -0.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2034 -2.4061 0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 0.3029 1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7495 1.1186 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 -0.7054 0.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5772 -1.0776 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9573 -1.8797 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 M END $$$$ E00QLA -OEChem-05082103213D 79 82 0 1 0 0 0 0 0999 V2000 4.5239 0.1810 -0.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5642 -2.8032 0.6562 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8055 1.7443 1.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5547 -1.8349 0.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9461 -0.5570 0.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 -4.4671 -0.2521 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3352 2.4097 0.4511 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2070 3.8687 -1.6328 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7461 4.6245 -0.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -5.3297 0.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 2.3404 -0.2612 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 -2.1501 -1.9539 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9894 0.7716 -2.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1758 -0.2525 1.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3864 1.6098 2.3439 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2638 -1.0751 0.5050 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2748 -2.1086 0.0085 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8664 -3.5237 0.4185 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4482 0.9573 0.6332 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2626 1.8458 -0.3053 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8320 -1.4910 0.1673 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4035 -3.7926 0.0580 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3951 2.9611 -0.8912 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6659 3.7256 0.2142 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9198 2.7450 1.1297 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9390 -5.1554 0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 3.4472 2.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 -0.3402 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1661 -1.3609 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1282 0.8994 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0908 1.1206 -0.3775 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0528 -1.1398 -1.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6813 0.1009 -1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9561 0.3322 -1.7941 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2725 0.0323 -1.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4229 0.9499 -1.4784 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6915 0.6316 -0.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9539 1.2738 0.4715 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5767 -0.2993 -1.2532 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1278 0.9785 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7504 -0.5948 -0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0259 0.0442 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1202 -1.3196 2.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3411 -0.9687 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3977 -2.0308 -1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0280 -3.6518 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 0.3297 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7102 1.2623 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7203 -1.4583 -0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -3.7648 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6682 2.5366 -1.5949 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 4.3290 0.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 2.2564 0.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0081 -5.2243 1.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5193 -5.9701 0.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8238 2.7146 2.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5388 4.1756 2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 3.9591 2.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1707 -2.5125 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5569 -4.3650 -1.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9668 2.8025 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6252 4.5718 -1.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4054 5.2181 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 -4.6001 0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6104 -2.3458 -0.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 1.6923 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0954 0.1286 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5242 -1.0162 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 2.3657 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -2.9317 -1.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6023 0.8642 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1443 1.9990 -1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2551 2.0008 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3701 -0.8036 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4458 -1.3235 -0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2560 1.3175 2.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1009 -1.4076 2.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8896 -2.2634 1.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3734 -1.1157 3.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 4 17 1 0 0 0 0 4 59 1 0 0 0 0 5 21 1 0 0 0 0 5 28 1 0 0 0 0 6 18 1 0 0 0 0 6 60 1 0 0 0 0 7 20 1 0 0 0 0 7 61 1 0 0 0 0 8 23 1 0 0 0 0 8 62 1 0 0 0 0 9 24 1 0 0 0 0 9 63 1 0 0 0 0 10 26 1 0 0 0 0 10 64 1 0 0 0 0 11 31 1 0 0 0 0 11 69 1 0 0 0 0 12 32 1 0 0 0 0 12 70 1 0 0 0 0 13 34 2 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 40 1 0 0 0 0 15 76 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 26 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 65 1 0 0 0 0 30 31 2 0 0 0 0 30 66 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 36 37 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 38 73 1 0 0 0 0 39 41 2 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 41 42 1 0 0 0 0 41 75 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 43 79 1 0 0 0 0 M END $$$$ E00SKG -OEChem-05082103283D 55 54 0 1 0 0 0 0 0999 V2000 2.7128 -1.5702 2.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6758 -0.1147 1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9639 2.0073 1.8894 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -2.2930 -0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5950 -3.1369 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8953 -1.1049 0.6725 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2791 -2.4171 -0.5538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 1.8537 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4609 2.3954 -1.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0683 2.6881 -1.3561 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -0.2848 0.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9379 -3.3449 -0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 1.5712 -0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 2.1412 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0362 2.0749 -0.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2209 -2.5742 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0637 1.0959 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7353 2.1770 0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 1.2015 -0.4012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 -3.4850 -0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 1.1197 1.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 -2.9550 -0.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0178 -1.9274 -1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7128 -3.9646 -0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -3.6015 0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.4594 0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1119 -1.6281 0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3653 -1.9226 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0384 1.8055 0.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0060 0.8285 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 2.4697 -2.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 3.4182 -0.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 3.7257 -1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9553 2.7112 -2.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9775 -0.8003 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5775 -0.2498 -0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7918 -4.1356 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -3.8345 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5291 0.5430 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 1.5185 0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 2.7684 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5483 1.1487 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1569 3.0935 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1068 2.1476 -1.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3591 -1.7720 -0.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 -2.1034 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2352 1.2090 2.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6664 3.1389 0.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1433 1.5999 -0.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0693 0.1926 -0.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6465 -0.7924 2.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5605 -3.9435 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 -4.2842 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3441 -2.9129 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 -0.2011 2.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 51 1 0 0 0 0 2 21 1 0 0 0 0 2 55 1 0 0 0 0 3 21 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 17 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 20 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 M END $$$$ E00WFP -OEChem-05082103053D 12 11 0 0 0 0 0 0 0999 V2000 1.8381 -0.1603 -0.0038 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -0.5081 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5908 0.5200 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8989 0.1484 -0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4276 -1.1648 -0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4365 -1.1579 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5433 1.1530 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5477 1.1632 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 0.7717 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6851 -0.6130 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0360 0.7789 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8848 -0.6971 0.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E00WOC -OEChem-05082103313D 52 51 0 0 0 0 0 0 0999 V2000 -7.1640 0.1939 0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9910 -0.7625 -0.8072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1817 1.3128 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0074 2.1518 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4780 1.5406 0.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2956 1.9047 -0.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 0.6702 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 2.7876 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9162 0.8502 0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.2797 -0.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8799 -2.6178 0.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7369 2.5259 -0.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 -2.0881 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0554 -2.8878 -1.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6379 1.6049 -0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 0.7218 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6669 -1.7770 0.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0486 0.0065 0.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2355 -0.5651 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4605 -3.2928 -0.6321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3513 1.5445 -1.4007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9111 0.2512 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2702 3.2146 0.1043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 1.9320 1.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3129 1.3061 1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7626 2.5979 0.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 2.0841 -1.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5652 0.8475 -0.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3171 -0.3852 -0.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 0.9135 -1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 2.6741 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1912 3.8424 -0.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2271 1.9001 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7526 0.5749 1.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 -1.3719 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 -3.0879 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8965 -3.5029 0.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4744 -1.7937 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9334 3.1240 -1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7839 -1.3335 1.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 -3.0129 1.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3678 -3.6830 -1.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 -1.9896 -1.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5505 1.5207 -1.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 0.5500 0.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9058 1.2447 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3114 -2.6426 0.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3044 -0.5057 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -4.2190 -0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -3.4564 -1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9252 -2.5128 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9139 -0.3540 0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 52 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 18 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 2 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 20 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 19 2 0 0 0 0 17 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 M END $$$$ E00XNE -OEChem-05082103053D 28 29 0 0 0 0 0 0 0999 V2000 0.0384 0.5677 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2881 2.4489 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 0.4999 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2139 1.3848 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 0.2801 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 0.0929 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 0.0951 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1662 1.2167 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1074 -0.7297 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1084 -0.7276 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5899 0.7551 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0342 -1.0932 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -1.1399 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6571 -0.1431 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 -1.9914 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4127 -1.5163 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 2.0296 0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2145 2.0313 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5486 0.4046 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 0.4086 -2.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -1.0514 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 -1.0476 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 1.8210 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0303 -1.5085 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5481 -1.7807 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6783 0.2266 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9117 -3.0609 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2436 -2.2157 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 8 1 0 0 0 0 5 11 2 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 7 10 2 0 0 0 0 7 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 M END $$$$ E01EBV -OEChem-05082103093D 22 22 0 0 0 0 0 0 0999 V2000 1.8187 0.4952 0.5634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6931 -2.2424 0.1024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9809 2.0807 0.0934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 -0.1059 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 0.6640 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -1.4800 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 0.0596 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2536 1.5160 -0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6597 -2.0843 -0.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8217 -1.3145 -0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 1.5493 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9705 0.8623 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4782 1.7331 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8885 1.3279 -1.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8634 2.4805 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 -3.1537 -0.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7687 -1.7998 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1355 2.3309 -1.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 1.7338 0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 0.5849 -0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9082 0.3281 -0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 -3.1678 -0.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 12 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E01IZK -OEChem-05082103053D 19 19 0 0 0 0 0 0 0999 V2000 2.1225 0.8667 -0.3113 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5276 -2.2538 -0.2299 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -1.2425 0.5802 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 0.0737 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9503 -0.9641 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 1.3872 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3161 -0.6885 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8568 1.6627 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7694 0.6249 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 -0.1918 0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 0.7256 -0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1926 2.2165 0.3678 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -1.4870 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2104 2.6849 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 0.8395 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -2.8311 -0.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8508 -0.1135 -0.9262 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8988 0.5832 0.7326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9852 1.6444 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 10 2 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E01LXK -OEChem-05082103063D 45 46 0 1 0 0 0 0 0999 V2000 -1.4680 0.4385 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -0.8919 0.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 0.4834 -0.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -2.0054 1.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 0.6319 0.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 0.2156 2.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.7286 0.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.8347 1.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -1.8480 -2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 3.2450 -0.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 0.2057 -2.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -0.8632 -0.3037 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9301 -1.0229 0.1866 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2290 0.3737 0.6887 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5505 1.2243 -0.3791 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7534 -0.7453 0.3971 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6462 -0.7853 1.6390 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1147 -0.5553 1.2746 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2915 0.6577 0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2579 0.7203 -0.7858 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0903 -1.9271 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 2.5323 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.1903 -1.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -1.2732 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 0.5301 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 1.4361 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -1.5992 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -1.7530 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -0.4029 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.6750 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 1.7505 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1311 -2.9324 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 -1.7686 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 2.3605 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 3.1543 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.1132 -2.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 -1.2446 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.9485 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 1.5664 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 0.0666 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -1.5769 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 2.6011 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 -2.5508 -3.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.6806 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 1.1234 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 14 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E01MLR -OEChem-05082103123D 13 13 0 0 0 0 0 0 0999 V2000 -2.0479 0.0086 0.0625 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0135 1.1205 0.0322 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 -0.7051 0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3956 0.7667 -0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -1.2047 -0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8284 0.0139 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 -0.8220 1.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -1.2469 -0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0209 1.3780 0.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6694 0.9414 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2956 -2.0299 0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0193 -1.4998 -1.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3215 2.0758 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 M END $$$$ E01TKQ -OEChem-05082103323D 24 23 0 0 0 0 0 0 0999 V2000 1.1999 0.1042 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4124 -0.5606 0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7393 -1.3044 0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7825 -1.2428 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 -0.8190 -0.9152 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6155 1.0455 0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1979 0.2276 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8717 0.4825 0.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 0.3046 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8411 1.7623 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -2.3469 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 -0.7568 1.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 -1.6290 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1575 -1.8580 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1261 -1.3634 -1.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8159 1.1580 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8238 2.0640 -0.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6176 0.4962 -1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1880 1.1238 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 -0.5228 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 0.4286 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 2.3321 0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3943 2.1086 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9231 1.9131 -0.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 M END $$$$ E01VDF -OEChem-05082103043D 15 14 0 0 0 0 0 0 0999 V2000 -2.4187 0.3489 -0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 0.3421 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.5181 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2861 -0.5090 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.3361 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 0.9861 0.9077 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0261 1.0212 -0.8425 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -1.1695 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2529 -1.1673 0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -1.1426 -0.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3449 -1.1505 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5228 0.9724 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 0.9795 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 -0.3002 -0.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3753 0.8920 -0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E01VHX -OEChem-05082103303D 34 37 0 0 0 0 0 0 0999 V2000 6.9779 1.5472 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.9779 -1.5472 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.6342 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.6342 -0.0001 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3261 -2.2181 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3261 2.2181 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 -0.5219 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0027 0.5219 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6609 0.0914 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 -0.0913 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 0.8709 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0506 -0.8709 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6284 -1.0388 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6284 1.0388 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1533 -1.2967 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1533 1.2967 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 1.5244 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2747 -1.5244 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3848 -0.6411 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3849 0.6411 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4454 0.7601 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4454 -0.7601 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1271 -2.7866 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 2.7866 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 2.6100 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3206 -2.6100 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 -1.2173 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 1.2172 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6217 -3.1639 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1371 -3.2114 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6216 -3.1624 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6215 3.1638 -0.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1371 3.2114 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 3.1624 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 15 19 2 0 0 0 0 15 23 1 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 23 29 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 M END $$$$ E01YXN -OEChem-05082103243D 23 23 0 1 0 0 0 0 0999 V2000 -0.7565 -0.0916 0.5386 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 0.0228 0.9479 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9552 0.3151 -0.3306 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5575 0.8833 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9186 -0.9625 -1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5884 -0.0595 0.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2028 1.1495 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3264 -1.2372 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 1.1813 -0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6959 -1.2053 0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 0.0040 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5883 1.0642 -0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 1.1574 -1.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 1.7720 0.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9366 -1.3292 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 -0.7963 -2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -1.7663 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 2.0921 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8449 -2.1811 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4127 -0.3261 0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 2.1236 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2773 -2.1220 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3856 0.0291 -0.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E01ZRI -OEChem-05082103083D 20 19 0 0 0 0 0 0 0999 V2000 1.1836 0.4465 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -1.5592 0.0064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 -0.2484 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1564 0.5565 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6728 0.6585 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0637 -0.3361 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4286 -0.2597 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 0.7419 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4891 -0.8744 -0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4876 -0.9283 0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1229 1.1796 0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 1.2028 -0.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5899 0.0614 -0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6837 1.2701 0.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6861 1.3279 -0.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -0.8877 0.8962 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4898 -0.8919 -0.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 0.2350 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 1.3895 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 1.3936 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 6 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E02ABP -OEChem-05082103333D 64 65 0 0 0 0 0 0 0999 V2000 7.1659 5.5609 -0.3987 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.0962 5.5960 0.4022 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.2431 -2.1892 -1.2146 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2666 -2.2017 1.2079 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0649 -0.9683 -0.7377 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0751 -0.9586 0.7377 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 -2.9477 -2.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4037 -2.9330 2.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0004 -0.0095 1.2381 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 0.0103 -1.2350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3335 -2.1819 1.3025 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3675 -2.1704 -1.3004 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7407 -3.3389 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7759 -3.3529 0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 -3.3075 -1.5956 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 -3.3438 1.5876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 -3.3515 -1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6399 -3.3714 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 -2.0891 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5471 -2.0857 1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4462 -1.0533 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4628 -1.0399 -0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2766 1.3184 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2650 1.3418 -0.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6115 1.6004 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5908 1.6289 0.4807 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2164 2.3485 1.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1959 2.3703 -1.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 2.9125 -0.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8474 2.9445 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 3.6604 1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4526 3.6859 -1.3988 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8259 3.9424 0.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7784 3.9730 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1651 -2.4641 0.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 -4.2286 0.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 -4.2439 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -2.4791 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 -4.1612 -2.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6846 -2.3982 -2.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7099 -2.4465 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -4.2107 2.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7832 -3.3513 -2.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0080 -4.2811 -1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -4.2955 1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8189 -3.3728 2.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -2.7625 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0443 -3.7833 -2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3979 -2.7360 2.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0823 -3.7731 2.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0925 -0.1565 2.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1052 -0.1363 -2.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7045 0.8224 -1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6903 0.8526 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9559 2.1422 2.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9424 2.1600 -2.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1538 3.1168 -1.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1081 3.1529 1.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4403 4.4530 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3952 4.4772 -2.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6528 -2.1838 2.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9401 -3.0473 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6909 -2.1690 -2.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9834 -3.0405 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 34 1 0 0 0 0 3 17 1 0 0 0 0 3 19 2 0 0 0 0 4 18 1 0 0 0 0 4 20 2 0 0 0 0 5 19 1 0 0 0 0 5 21 2 0 0 0 0 6 20 1 0 0 0 0 6 22 2 0 0 0 0 7 19 1 0 0 0 0 7 47 1 0 0 0 0 7 48 1 0 0 0 0 8 20 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 51 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 10 52 1 0 0 0 0 11 21 1 0 0 0 0 11 61 1 0 0 0 0 11 62 1 0 0 0 0 12 22 1 0 0 0 0 12 63 1 0 0 0 0 12 64 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 54 1 0 0 0 0 27 31 2 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 28 56 1 0 0 0 0 29 33 2 0 0 0 0 29 57 1 0 0 0 0 30 34 2 0 0 0 0 30 58 1 0 0 0 0 31 33 1 0 0 0 0 31 59 1 0 0 0 0 32 34 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$ E02AQT -OEChem-05082103263D 17 17 0 1 0 0 0 0 0999 V2000 2.1617 -0.9509 -0.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5688 1.2164 -0.4953 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7807 0.9314 0.7770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0834 -0.2476 0.7251 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7235 -1.3171 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9888 -0.6106 -0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6499 0.8635 -0.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 0.1149 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 -0.5522 1.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 -2.1429 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1919 -1.7411 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2798 -0.9157 -1.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8187 -0.8485 0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1204 1.1932 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5424 1.4831 -0.2694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2509 1.8003 0.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9837 -0.7341 -0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E02AWG -OEChem-05082103293D 24 24 0 1 0 0 0 0 0999 V2000 0.6618 1.3230 -0.0993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 -2.3090 -0.1069 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 -0.3534 1.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6062 -1.2361 -0.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 1.2720 -1.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2708 0.4758 -0.3702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2099 -0.9371 -0.3514 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9863 -0.0636 0.0748 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4718 -0.5351 0.4176 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7212 0.9670 0.2864 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4712 1.7540 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2098 -0.3575 -0.7956 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4002 -0.8301 -1.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 -0.8117 1.4736 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5694 1.2770 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 2.8159 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2485 1.6651 1.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0165 -0.1492 -1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5517 -1.3906 -0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -2.5963 -0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2555 -0.1275 1.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6215 -1.1375 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9294 0.8786 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 1.3979 -0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02GAH -OEChem-05082103273D 24 24 0 1 0 0 0 0 0999 V2000 0.8173 0.9667 -0.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.6649 -1.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -1.9912 0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 0.7905 0.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 2.5840 -0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 0.6143 0.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -1.3703 0.1503 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1482 -0.9793 0.5197 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2348 -0.2110 0.4651 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5386 0.3496 -0.1266 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4795 1.4188 0.1511 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6692 -0.5074 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -2.2817 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -0.9039 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 0.0165 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 0.2205 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 1.6989 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 -0.6761 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 -1.3811 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -0.8344 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -1.6951 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 1.6458 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4254 3.3442 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 1.3820 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E02IKB -OEChem-05082103053D 3 2 0 0 0 0 0 0 0999 V2000 1.3063 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1096 0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1967 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E02WLG -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 -1.6487 0.6571 -0.0104 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4837 -1.2934 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9006 -0.0812 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 0.7867 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5023 -0.0691 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7326 1.4215 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7464 1.4088 0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 -0.6844 -0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8887 -0.6969 0.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4447 0.0839 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 M END $$$$ E02WYE -OEChem-05082103093D 41 40 0 0 0 0 0 0 0999 V2000 -6.4238 -0.6992 -0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4380 1.3857 -0.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2195 0.4047 0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9873 -0.5018 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5442 -0.3640 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3026 0.3184 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 0.4888 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5378 -0.5845 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1006 -0.3398 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 0.2403 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3725 0.5124 -0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0816 -0.6336 0.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6546 -0.3041 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 0.1646 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7166 -0.0879 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1905 1.0451 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1883 1.0720 -0.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0398 -1.1769 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9819 -1.1271 0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5948 -0.9996 0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.0442 -0.7777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3025 0.9266 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3441 1.0104 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 1.1476 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8549 1.1383 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -1.2635 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5288 -1.2057 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0845 -0.9465 -0.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1283 -1.0398 0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 0.8565 -0.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 0.9361 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3824 1.1286 0.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3588 1.2024 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0790 -1.2353 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0813 -1.3067 -0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6983 -0.9066 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7209 -0.9779 0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5273 0.3562 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4671 -0.8822 -0.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8075 0.5166 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8886 0.5233 0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 M END $$$$ E02ZQY -OEChem-05082103073D 44 43 0 0 0 0 0 0 0999 V2000 -0.6713 1.0246 -0.4878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 -1.9346 0.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2641 -0.3616 0.2203 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0881 0.7758 0.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -0.9383 -1.6907 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1494 -2.3690 -0.0173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 2.7048 -0.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4441 2.2593 1.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0607 0.0939 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1572 -0.5688 1.2561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9637 0.8564 1.2596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 -0.9661 -0.4663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2307 -1.2286 0.4205 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 1.5759 0.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3323 2.0622 0.1029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8407 -2.9874 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 -0.8599 -0.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1353 1.3352 -0.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9178 2.9521 -0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -3.9705 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3991 0.2142 -0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2621 0.3303 -0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7289 -1.3545 1.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6449 0.1032 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5505 1.5880 1.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4972 0.1522 1.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 -2.5660 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1255 -3.4969 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7689 -1.7487 -0.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9619 -1.1258 -1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5028 2.2539 -0.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7479 1.5674 -1.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 3.3969 -1.5462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 3.7541 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5959 2.3772 -1.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 -4.7909 0.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6089 -4.3859 1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1104 -3.4707 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7728 0.5050 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9806 1.1157 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2390 -0.1342 -1.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6485 0.0746 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -0.6012 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0811 0.7256 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 14 2 0 0 0 0 8 15 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 22 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$ E03BDU -OEChem-05082103093D 18 17 0 0 0 0 0 0 0999 V2000 3.5915 -0.3494 0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -0.3491 -0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0007 0.4525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1997 -0.3720 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 -0.3726 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 0.4953 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4481 0.4953 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2214 -1.0031 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 -1.0520 0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2186 -1.0110 0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -1.0456 -0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 1.0623 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4807 1.1166 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4942 1.1446 -0.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4847 1.1120 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 1.1560 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3731 0.2288 0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 -0.8685 0.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E03GBZ -OEChem-05082103093D 24 23 0 1 0 0 0 0 0999 V2000 3.5773 -0.6978 -0.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5774 -0.6978 0.4347 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 -0.6608 -0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 -0.6609 0.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4606 0.1803 -0.2969 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4606 0.1803 0.2970 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7380 1.0960 0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 1.0961 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3085 -1.3097 0.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1015 -1.3308 -0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3088 -1.3014 -0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 -1.3386 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 0.7819 -1.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 0.7736 1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0755 0.7688 0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7118 1.5846 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7874 0.5245 1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 1.8762 0.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6819 1.6338 -0.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 0.5175 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9433 1.8349 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4187 -1.2537 -1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 -0.1501 0.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 23 1 0 0 0 0 2 7 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E03GMQ -OEChem-05082103073D 15 14 0 0 0 0 0 0 0999 V2000 0.0001 0.0886 1.4263 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -0.0042 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.7243 -0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0316 1.4186 -0.5526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 -0.7788 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1666 -0.1866 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -0.8252 -1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 -1.7245 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 1.9576 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 1.9921 -0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 1.4248 -1.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2468 -1.7838 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2975 -0.8731 -1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1543 -0.2842 -0.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 0.5741 1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E03GSO -OEChem-05082103283D 23 23 0 0 0 0 0 0 0999 V2000 3.2018 0.5781 0.0532 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8635 -0.2451 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 1.0770 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0582 -1.2906 -0.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 0.3081 0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9473 1.3536 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -1.0140 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2879 -0.5338 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 0.3242 0.1679 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7361 -0.0196 0.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0892 -0.5379 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 1.9221 -0.1641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2705 -2.3272 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2884 2.3852 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0853 -1.8731 0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -1.5394 -0.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0689 1.3301 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1869 0.0874 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2504 0.6586 -0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9044 -1.0454 -0.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0173 -1.1537 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9437 -1.1231 1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1083 -0.1391 0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 4 7 2 0 0 0 0 4 13 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E03JHL -OEChem-05082103043D 20 19 0 0 0 0 0 0 0999 V2000 4.1961 -0.8576 0.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2399 0.7958 0.0546 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 1.2615 -0.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3089 -1.2748 -0.0047 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6716 0.3719 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6914 -0.3294 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8370 -0.6184 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 0.6535 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1915 0.0542 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 -0.0567 0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 0.9981 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7613 1.0494 -0.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 -0.9245 -0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7576 -1.0371 0.7603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -1.2338 -0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7609 -1.2728 0.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7779 1.2590 0.9053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8368 1.3156 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0773 -0.4280 0.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0973 0.3190 0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 M END $$$$ E03JUX -OEChem-05082103053D 8 7 0 0 0 0 0 0 0999 V2000 -1.3042 -0.0008 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6903 -1.1479 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6888 1.1489 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0749 -0.0001 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 -1.1111 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 -2.0669 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 2.0672 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 1.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E03KJL -OEChem-05082103073D 22 21 0 1 0 0 0 0 0999 V2000 1.7318 1.0709 -1.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2594 0.4785 0.9014 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 -1.6112 0.9265 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8499 -0.1966 -0.5113 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5599 -0.8012 -0.2932 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3284 0.7162 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8909 -1.2949 -0.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 1.3375 0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 0.3007 -0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8062 0.4240 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8584 -1.4200 -1.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 1.5338 0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3472 0.1596 1.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5242 -1.9957 -1.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1186 -1.8650 0.1273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 -0.8738 -1.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 1.8589 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9027 2.0653 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4975 0.5847 0.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4726 -1.0328 1.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5632 -2.0056 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 1.7712 -1.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E03REJ -OEChem-05082103153D 33 35 0 0 0 0 0 0 0999 V2000 1.8095 -2.7981 0.3562 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4648 -2.9738 -0.3499 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9374 1.8581 -0.2573 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3338 -0.3003 -0.3131 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5025 -0.3868 -0.4943 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 -0.3188 0.6106 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.6680 -0.1973 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7703 0.4645 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1455 0.1985 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8752 -0.6098 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5851 -1.1338 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 1.7967 -0.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3292 -1.9274 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0409 1.2725 0.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 -2.1889 -0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2344 2.8516 -0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5869 2.5901 0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 -0.0961 0.4092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -1.1584 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9111 1.2177 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1633 0.4091 0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -0.9053 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 1.4707 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6378 -1.3616 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 2.0458 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1024 1.0915 0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0417 -3.2128 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8821 3.8776 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2898 3.4117 0.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2225 2.0521 0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3839 -1.7468 -0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 2.5073 0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 -2.6160 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 33 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 10 1 0 0 0 0 6 18 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 24 1 0 0 0 0 12 16 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$ E03VAV -OEChem-05082103303D 37 36 0 1 0 0 0 0 0999 V2000 -2.0565 0.1099 -0.1833 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3916 1.4220 0.7212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8998 -1.8284 0.2915 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8481 0.6071 -0.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8196 0.4281 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1265 -0.3458 0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6048 -0.4975 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 0.5706 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 0.2430 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -0.2085 0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.6407 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8587 0.6926 -0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4613 0.3690 -0.2430 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2956 -0.5854 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8006 -0.3360 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7514 1.2234 0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 0.9112 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -0.8147 1.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1819 -1.1531 -0.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6846 -1.3088 -0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6056 -0.9724 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3160 1.0533 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2985 1.3679 0.6904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 0.6570 -1.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2113 1.0661 0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6910 -0.6733 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6881 -1.0170 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8661 1.4958 0.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8628 1.1462 -1.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7816 0.1154 0.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3884 0.8464 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3441 -1.4172 -0.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3286 -0.9798 1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9140 -1.1459 -0.8005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9099 -0.7401 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4463 1.0232 1.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6872 0.1288 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 14 1 0 0 0 0 2 13 1 0 0 0 0 2 36 1 0 0 0 0 3 11 2 0 0 0 0 4 15 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 M END $$$$ E03XRS -OEChem-05082103053D 69 69 0 1 0 0 0 0 0999 V2000 -1.1064 -1.1206 0.2665 N 0 0 2 0 0 0 0 0 0 0 0 0 1.3186 -0.9096 0.1091 N 0 0 1 0 0 0 0 0 0 0 0 0 0.2306 -3.9408 -1.8093 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1415 -2.5557 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -2.4423 -0.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4316 -2.2242 -0.5445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1473 -0.8793 1.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2597 -1.0139 1.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5413 -0.5966 0.8479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6136 0.4413 1.5339 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6997 -0.1222 -0.0553 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0185 -1.6304 -2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8983 1.3426 0.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3484 1.1213 -0.9081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8105 0.5415 2.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0003 0.1691 0.7312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1126 0.9608 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 2.4085 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6553 -0.3038 3.7664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4584 -0.9824 1.6155 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 1.8357 -1.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6137 3.5714 -1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5544 1.4816 -2.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 4.8476 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9975 -2.5947 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -3.2319 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 -3.0032 0.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2778 -2.2383 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -1.6017 1.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1097 0.1202 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1436 -1.4590 0.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 -1.6107 2.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3481 0.1994 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 -1.4680 1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 0.8837 2.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9432 -0.9304 -0.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8334 -1.7293 -3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9261 -1.8741 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0863 -0.5752 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0076 1.3644 -0.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0325 2.3750 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 1.3214 -1.5933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4926 0.8814 -1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3135 -4.5801 -1.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6313 -4.1957 -2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9469 1.5891 2.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7374 0.2237 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8026 0.4091 0.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8746 1.0422 1.3798 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0253 1.0389 0.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0287 -0.0832 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9237 2.7202 0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2419 2.2235 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 -1.3730 3.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4553 -0.0672 4.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6982 -0.1063 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7907 -1.1269 2.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4554 -0.7708 2.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5135 -1.9171 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4182 1.7131 -2.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 2.8915 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 3.3184 -1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 3.7460 -1.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4397 1.6309 -1.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6557 2.1149 -3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5373 0.4375 -2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 5.1453 0.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1080 5.6658 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6425 4.7149 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 35 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 18 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 20 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 21 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 22 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 23 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 22 24 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 64 1 0 0 0 0 23 65 1 0 0 0 0 23 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 24 69 1 0 0 0 0 M END $$$$ E03YBG -OEChem-05082103043D 15 15 0 0 0 0 0 0 0999 V2000 2.6218 0.0716 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7872 0.6308 -0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6221 -1.1243 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7305 -1.5409 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5104 1.2664 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6318 -0.7331 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3984 0.0280 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0031 1.4013 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6787 1.8511 0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6798 1.8511 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6053 1.1712 -0.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7932 2.4760 -0.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5943 1.1803 0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 -1.1659 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6369 -2.5508 0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 M END $$$$ E04CVA -OEChem-05082103233D 11 10 0 0 0 0 0 0 0999 V2000 0.0006 1.8238 0.0877 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.3985 0.5013 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 0.5386 0.4592 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -0.1809 -1.3099 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3650 0.5354 0.4425 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2853 -0.1976 -1.3076 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3469 -1.3935 0.5132 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0007 0.5369 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2578 -0.1338 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2622 -0.1304 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 0.5732 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 3 9 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 10 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 M END $$$$ E04DZI -OEChem-05082103123D 17 16 0 0 0 0 0 0 0999 V2000 2.0482 -0.0091 -0.0743 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5032 0.2600 0.9561 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4059 0.0004 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9215 0.2030 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5379 0.9840 -1.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5227 -1.4384 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0058 -0.4760 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 1.2260 1.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2474 0.8198 -1.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 2.0234 -0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 0.8732 -1.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 -1.6134 -0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2389 -1.6549 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4077 -2.1674 0.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 0.1555 0.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 1.2265 1.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1027 -0.9611 -0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E04FXO -OEChem-05082103053D 3 2 0 0 0 0 0 0 0999 V2000 0.0000 -0.5774 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 0.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3091 0.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E04HFM -OEChem-05082103083D 16 16 0 0 0 0 0 0 0999 V2000 1.7522 0.0032 -0.0948 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2279 -0.0027 1.4693 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1868 -1.2591 -0.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1570 1.2694 -0.6853 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 0.0004 -0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 1.2073 -0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6884 -1.2087 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0862 1.2051 0.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0827 -1.2109 0.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7817 -0.0040 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1723 2.1612 -0.0213 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -2.1605 -0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 2.1447 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6243 -2.1522 0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8673 -0.0058 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 -0.7908 1.9928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E04KSN -OEChem-05082103063D 26 25 0 1 0 0 0 0 0999 V2000 -1.1862 -1.7940 -1.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5483 -1.5607 -0.8896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8512 -0.5745 0.8131 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7111 -0.5685 1.7691 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 2.0270 -0.0841 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 1.6744 -0.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 -1.0290 0.0283 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7399 -0.4759 -0.4352 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6133 0.0623 0.4716 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4925 0.3096 0.6577 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9264 1.0995 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8621 0.8299 0.2238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4776 -1.7454 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5963 0.1596 -1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2666 0.5674 1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8805 1.1525 0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3727 0.6461 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0397 1.6660 -0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 0.0103 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3402 1.3994 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 -1.2399 -1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -2.1366 -0.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6655 -1.2098 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -0.0481 2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6626 1.5208 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 2.4038 -0.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E04KTP -OEChem-05082103233D 42 43 0 1 0 0 0 0 0999 V2000 4.9400 -0.9745 -0.4092 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1075 0.2440 3.1779 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2559 -3.5006 -0.9498 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4535 -0.7998 0.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5589 1.2189 -0.3661 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 -0.5661 -0.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 2.4093 -0.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6000 -0.0611 -1.0685 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3249 1.0791 -2.4235 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 1.7102 0.3018 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -1.4567 2.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4561 0.6324 0.5783 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8863 1.0458 0.2470 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2052 0.1146 -0.9032 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5459 -1.1764 -0.4312 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7938 0.8560 -0.0911 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7296 1.5000 -1.1199 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1824 1.0802 -0.8813 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2692 -0.4479 -0.7561 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2509 -1.0403 0.2351 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0396 1.0157 1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 -2.0238 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5470 -0.8593 1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5994 0.8562 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7916 0.4868 -1.8473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2435 -1.7714 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0956 1.2859 0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6158 2.5895 -1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8143 1.4092 -1.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0338 -0.8636 -1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -2.1224 0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0559 2.0990 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 0.6478 2.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2455 -1.4893 -2.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8185 -2.3175 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 0.1907 2.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4846 -1.3464 2.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7242 2.9375 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9740 -0.3752 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.5118 -3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5966 2.6713 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 -1.3311 3.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 13 1 0 0 0 0 7 38 1 0 0 0 0 8 14 1 0 0 0 0 8 39 1 0 0 0 0 9 17 1 0 0 0 0 9 40 1 0 0 0 0 10 18 1 0 0 0 0 10 41 1 0 0 0 0 11 23 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E04WCM -OEChem-05082103083D 45 46 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6357 -0.0523 -1.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6357 0.0523 -1.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 -2.4452 1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9568 2.4452 1.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 -1.8878 1.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7798 1.8878 1.7575 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4455 0.7947 0.9743 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4455 -0.7946 0.9743 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3351 2.3158 -2.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3352 -2.3158 -2.4207 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8461 -0.8196 -0.3455 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8461 0.8196 -0.3455 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7369 -1.7413 0.4891 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7369 1.7413 0.4891 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8395 -0.9637 1.2050 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8396 0.9637 1.2050 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5809 -0.0542 0.2232 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5808 0.0542 0.2231 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5989 0.7846 -0.6060 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5989 -0.7846 -0.6059 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3065 1.5817 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3065 -1.5817 -1.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2085 -1.4760 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 1.4761 -0.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2028 -2.4901 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2028 2.4902 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4291 -0.3915 2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 0.3914 2.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 -0.6632 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 0.6633 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.4994 0.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0702 -1.4995 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8216 0.9226 -2.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 2.2842 -1.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8116 -0.9128 -2.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0359 -2.2791 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4957 -1.7866 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4957 1.7866 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3946 -1.3841 2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3945 1.3841 2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1421 0.2392 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1422 -0.2391 1.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6976 1.6795 -2.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8058 -2.8124 -3.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 13 1 0 0 0 0 3 21 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 16 1 0 0 0 0 6 40 1 0 0 0 0 7 17 1 0 0 0 0 7 41 1 0 0 0 0 8 18 1 0 0 0 0 8 42 1 0 0 0 0 9 19 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E04XXD -OEChem-05082103043D 11 10 0 0 0 0 0 0 0999 V2000 1.8198 0.1639 -0.0044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -0.1503 -0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 0.5066 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5737 -0.5202 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 1.1496 0.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 1.1639 -0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 -1.1586 -0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 -1.1518 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9373 -0.7214 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5814 0.5534 -0.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5171 -0.5138 -0.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E04ZMC -OEChem-05082103073D 19 18 0 1 0 0 0 0 0999 V2000 -1.5450 -1.4733 -0.2634 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 0.3763 1.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2561 1.7673 -0.8569 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 0.0130 -0.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0464 0.3243 -0.7445 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7318 -1.4774 -0.1626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6518 0.6838 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1858 -0.2139 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0843 0.4571 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 -0.0971 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5567 -1.9585 -1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 -1.9948 0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7866 -1.6168 0.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 0.2970 1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 0.4931 1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5287 1.7701 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1415 1.9507 -1.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4679 2.1741 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2748 -1.8228 0.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 8 2 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E05BRC -OEChem-05082103143D 26 26 0 0 0 0 0 0 0999 V2000 0.9726 -2.2161 0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0697 1.5331 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 0.5446 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 0.0645 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7558 2.0881 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 0.0029 -1.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5092 0.0697 1.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -1.2794 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 1.0267 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 0.6109 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3485 -1.6951 0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 -0.7499 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7995 2.4298 -0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 2.5201 -0.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3105 2.5311 0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 0.2346 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4213 0.4676 -1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6037 -1.0766 -1.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 0.5048 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0093 0.3729 2.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6356 -1.0157 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 2.0964 -0.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6011 -2.7521 0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4075 -1.0867 0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 -3.1020 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9250 1.0698 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 25 1 0 0 0 0 2 10 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E05GFF -OEChem-05082103083D 28 28 0 0 0 0 0 0 0999 V2000 1.2263 0.1186 -0.0194 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 2.2559 -0.3568 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8411 -1.2431 0.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5078 -0.5976 0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -0.1661 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 0.5840 -0.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9059 -1.3421 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0933 0.4513 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2565 1.0629 -0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1371 1.2097 0.4083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 -0.8559 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4057 0.6359 0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5316 -1.4296 -0.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6030 -0.6838 0.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 -1.3493 -0.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 -1.0874 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1579 0.5961 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.2881 -0.9124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7342 1.3266 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7441 1.0518 -1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 -1.7969 1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7663 -2.1112 -0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 -1.0105 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9955 2.2369 0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4485 -1.4532 -0.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2365 1.2217 0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6730 -2.4575 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7946 -2.1594 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 2 9 2 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 M END $$$$ E05PEC -OEChem-05082103093D 44 43 0 0 0 0 0 0 0999 V2000 -6.7904 -0.4678 0.0701 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 0.4728 0.0702 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7704 1.6011 0.0476 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7658 -1.5951 0.0471 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6227 0.4007 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -0.4455 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9081 -0.4323 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9026 0.4376 -0.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1825 0.4167 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1786 -0.4086 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4483 -0.4393 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4445 0.4465 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7186 0.3788 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7148 -0.3729 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0738 0.1642 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0708 -0.1601 0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1478 -0.9022 0.1399 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1457 0.9055 0.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6259 1.0568 0.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 1.0539 -1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6458 -1.1013 0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6731 -1.0911 -1.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9319 -1.0568 -1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8913 -1.1154 0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 1.0780 -1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 1.0983 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1424 1.0706 0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2262 1.0755 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1474 -1.0663 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -1.0645 -0.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4099 -1.0832 0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5044 -1.0708 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4142 1.0871 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4929 1.0814 -0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1999 0.7931 -0.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1457 0.7859 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 -0.7849 -0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1507 -0.7863 0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0774 -1.5437 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0240 -1.5508 1.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1443 -0.4529 0.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0674 1.5512 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0305 1.5499 0.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1422 0.4554 0.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 M END $$$$ E05RKR -OEChem-05082103053D 26 27 0 1 0 0 0 0 0999 V2000 -0.7476 2.5568 0.0106 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4496 0.1996 -0.1502 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3788 -0.8522 -0.0876 N 0 0 1 0 0 0 0 0 0 0 0 0 -2.6144 -0.2849 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9505 0.0131 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1459 1.4035 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 1.0522 0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -1.9401 -1.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.1100 0.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8282 1.0486 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -1.2075 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2065 0.8655 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 -1.3906 0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7145 -0.3540 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3572 1.7548 0.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.1966 -1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7694 -1.6711 -1.9901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7408 -2.8444 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6932 -1.8535 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0945 -1.6335 -0.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7033 -0.4944 0.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4738 2.0021 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8226 -2.0261 0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8849 1.6701 -0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2402 -2.3370 0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7878 -0.4964 0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 7 2 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$ E05RPP -OEChem-05082103313D 55 54 0 0 0 0 0 0 0999 V2000 6.3765 -0.5281 -0.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4313 -2.4396 0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 -1.8262 0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5696 3.0931 -0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 2.2210 -0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.4492 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 -2.8440 0.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 2.2798 -0.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2527 1.3551 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -2.0192 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9133 3.1472 0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5023 -2.2809 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5128 0.5207 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0223 -0.9617 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1739 2.3314 0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9044 -1.7404 -0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3548 -0.4938 -0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 -1.5497 -0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4119 3.1846 0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6313 -2.8315 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4687 -3.2939 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 -1.3771 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0167 -1.0172 1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 3.7715 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3465 3.7215 -1.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6067 2.8738 -1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 1.5835 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -1.0236 -0.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5080 -0.6167 0.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 1.6851 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1035 1.5732 -0.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 -3.2852 1.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0101 -3.6683 -0.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 2.0135 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4499 0.6846 0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 -2.4852 0.9362 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0069 -2.8143 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 3.8226 1.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0974 3.7797 -0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1964 -3.0912 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 -1.5482 1.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3309 1.1942 -0.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8515 0.0605 1.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9777 -0.1616 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8186 -0.4834 -1.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3663 1.6528 -0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 1.7102 1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8283 -2.4117 -1.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6138 -0.1874 -1.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6687 -1.9939 0.6268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5182 -2.3206 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2702 3.8560 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 3.7923 -0.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 2.5494 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2547 -0.9456 -0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 10 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 12 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 15 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 16 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 M END $$$$ E05WCT -OEChem-05082103083D 14 13 0 0 0 0 0 0 0999 V2000 -0.5630 0.5160 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5630 -0.5159 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9293 -0.1506 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9294 0.1505 -0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 1.1666 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4825 1.1551 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4825 -1.1551 0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4723 -1.1665 -0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0542 -0.7710 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0651 -0.7856 0.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7203 0.6060 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.7709 -0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 -0.6062 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0652 0.7854 0.8743 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E05YRY -OEChem-05082103093D 15 15 0 0 0 0 0 0 0999 V2000 1.0308 -1.4007 -0.0012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2303 2.1867 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2683 0.9312 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1656 -0.0160 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.8163 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5915 0.4396 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2636 0.2288 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 -1.2430 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -1.9429 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9373 0.6020 1.0266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7416 1.3555 -0.5778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2349 -0.3216 -0.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3371 -1.7127 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1883 -3.0225 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.4312 0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 5 1 0 0 0 0 2 15 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E06BKD -OEChem-05082103133D 49 48 0 1 0 0 0 0 0999 V2000 -4.3995 0.1262 -0.1862 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2941 -1.8421 0.2873 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6793 1.5154 0.7440 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1748 0.7661 -0.2042 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 0.3568 -0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2944 -0.4504 -0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7702 -0.4989 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5717 0.3800 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 0.2968 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 -0.3514 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1217 0.5486 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7556 -0.5717 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4409 -0.2039 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0565 0.1882 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6724 0.6770 0.0455 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2931 -0.6567 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6556 -0.5303 0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7960 0.4566 -0.2095 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1528 -0.2063 -0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 1.2217 0.4539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 0.7455 -1.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3204 -1.2868 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2844 -0.8891 0.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7872 -0.8682 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7858 -1.3763 -0.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6033 0.7837 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 1.2459 0.5006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4565 1.1635 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 0.6815 -1.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8532 -0.7822 1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9832 -1.1908 -0.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7132 -1.4510 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7531 -0.9509 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1257 1.0250 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0521 1.3553 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5046 -1.0185 -0.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4501 -0.6681 1.1815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0705 0.5507 -1.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 1.0485 0.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6628 1.4829 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7168 1.1268 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5820 0.0869 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6838 -0.9147 1.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7407 -1.3663 -0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7251 0.9233 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2575 -0.5982 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3022 -1.0186 -0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7311 1.1259 1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0259 0.3142 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 18 1 0 0 0 0 3 48 1 0 0 0 0 4 19 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 M END $$$$ E06CNF -OEChem-05082103083D 15 14 0 0 0 0 0 0 0999 V2000 1.9594 0.0117 0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4504 -0.0005 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7828 -0.6763 -0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 1.4500 -0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 -0.7850 -0.0237 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 0.0176 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8604 -1.7134 0.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7368 -0.6727 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4652 1.9218 0.2923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 1.5073 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 2.0423 0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5960 -0.3250 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6455 -1.8143 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8724 -0.8217 -1.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7132 -0.4505 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 M END $$$$ E06CZB -OEChem-05082103053D 19 19 0 0 0 0 0 0 0999 V2000 2.8088 -0.0004 -0.0011 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0735 0.0002 -0.0009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 1.2080 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 -1.2079 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0772 0.0000 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0150 1.2082 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0152 -1.2078 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 0.0003 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 2.5259 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0848 -2.5263 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 2.1430 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5644 -2.1464 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7114 2.6290 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7066 2.6295 -0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 3.3659 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7088 -2.6303 -0.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -2.6297 0.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3811 -3.3662 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 -0.9196 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 8 1 0 0 0 0 2 19 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 M END $$$$ E06FKO -OEChem-05082103113D 25 24 0 1 0 0 0 0 0999 V2000 1.5938 1.8140 -1.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 1.6756 -0.9001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 0.4587 0.9957 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4072 0.5190 1.7040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0744 -2.1516 -0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4828 -1.4784 -1.0909 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6499 -0.3040 0.4608 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9727 1.0546 0.0305 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3880 0.5432 -0.4935 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8996 -0.0924 0.4916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2197 -0.2558 0.5278 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2315 -1.1138 -0.5998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5784 -0.6692 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8136 1.7567 0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -0.0476 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 -0.6145 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6954 -1.1719 0.8199 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -0.6340 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3309 -1.5857 -1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3944 2.2197 -0.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6354 2.1699 -1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6191 0.8151 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8178 -0.0565 2.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 -2.5785 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3649 -1.7305 -1.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 21 1 0 0 0 0 3 10 1 0 0 0 0 3 22 1 0 0 0 0 4 11 1 0 0 0 0 4 23 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E06NOK -OEChem-05082103243D 33 35 0 0 0 0 0 0 0999 V2000 -0.9511 -3.1069 0.7711 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4623 2.3925 1.6002 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4304 1.5625 1.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -0.9117 -0.5816 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7824 -0.4346 0.3089 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6169 1.5457 1.2270 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.1298 0.1878 -0.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 0.1483 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 -0.9127 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9263 -0.9908 0.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 1.3268 -1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7623 -2.0363 0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 1.2488 -0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 -2.0751 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5196 2.4112 -1.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8353 2.3722 -0.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1170 -0.4336 -0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 0.5311 0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5289 -1.4193 -1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3373 0.5101 -0.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -1.4405 -1.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7528 -0.4757 -1.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9510 -1.0428 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6521 1.3968 -1.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3398 1.2403 0.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4592 -2.9437 1.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 3.2859 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 3.2167 -1.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8678 -2.2061 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0723 1.2433 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1744 -2.2111 -2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 -0.4934 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4519 -3.7870 1.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 6 1 0 0 0 0 3 6 2 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 12 2 0 0 0 0 10 14 2 0 0 0 0 10 23 1 0 0 0 0 11 15 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 22 2 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 M CHG 2 2 -1 6 1 M END $$$$ E06RNC -OEChem-05082103043D 16 15 0 1 0 0 0 0 0999 V2000 0.2674 -1.1369 -1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -0.6853 1.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 1.3538 0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.1344 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -0.7589 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -0.6706 0.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.0996 -0.6013 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5071 0.3058 0.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9524 0.1710 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 0.1871 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 0.8742 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 1.2793 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 -1.8528 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -1.5583 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 1.3682 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 1.0451 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E06RUT -OEChem-05082103243D 37 41 0 0 0 0 0 0 0999 V2000 4.4643 2.2240 -1.0998 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.4692 -2.2166 -1.0980 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 5.3528 1.1303 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -5.3537 1.1282 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2033 0.0022 -2.5689 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1099 -0.0024 1.3644 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1337 -0.0007 -3.7199 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.5916 -0.0067 -1.7624 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6417 -0.0013 2.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5671 0.0021 -0.4668 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6759 -0.0024 3.1190 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 4.7156 -0.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9688 -4.7108 -0.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1201 -0.0005 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3812 -0.0012 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7015 1.2590 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7034 -1.2585 0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 -0.0022 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.1822 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9781 -1.1792 -0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0121 -0.0025 2.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5632 -0.0008 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 2.5259 0.8432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 -2.5263 0.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7786 -0.0027 0.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 2.3381 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 -2.3338 -0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 -0.0013 -1.9953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9629 3.6787 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9691 -3.6778 0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9699 -0.0022 -1.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2254 3.5848 0.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -3.5815 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7842 2.6100 1.2865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7803 -2.6125 1.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8064 4.4610 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4565 -5.4774 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 5 22 1 0 0 0 0 6 25 1 0 0 0 0 7 28 1 0 0 0 0 8 31 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 2 0 0 0 0 12 32 1 0 0 0 0 12 36 1 0 0 0 0 13 33 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 19 1 0 0 0 0 16 23 2 0 0 0 0 17 20 1 0 0 0 0 17 24 2 0 0 0 0 18 21 1 0 0 0 0 18 25 1 0 0 0 0 19 26 2 0 0 0 0 20 27 2 0 0 0 0 22 28 2 0 0 0 0 23 29 1 0 0 0 0 23 34 1 0 0 0 0 24 30 1 0 0 0 0 24 35 1 0 0 0 0 25 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 31 1 0 0 0 0 29 32 2 0 0 0 0 30 33 2 0 0 0 0 M END $$$$ E06WYP -OEChem-05082103043D 14 13 0 0 0 0 0 0 0999 V2000 0.0235 -1.3493 0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 -0.0044 -0.2369 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4131 -0.0097 -0.2384 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -0.0124 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2544 0.6980 0.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 0.6778 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0033 -0.0966 -1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 0.7187 1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3018 1.7246 -0.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 1.7136 -0.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 0.6670 1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0214 -1.3033 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3408 -0.9155 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 0.4634 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 12 1 0 0 0 0 2 5 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E07AGB -OEChem-05082103053D 51 50 0 0 0 0 0 0 0999 V2000 10.0552 -0.4067 -0.1201 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 -0.3800 0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2301 0.4825 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3286 0.4372 0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5251 -0.3373 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5933 -0.4239 0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 0.4694 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8517 0.4435 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1140 -0.3550 -0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 -0.4135 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4176 0.4492 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3759 0.4510 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6724 -0.4264 -0.0347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6443 -0.4067 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9397 0.4235 -0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9118 0.4353 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1889 -0.4420 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.9852 1.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0178 -1.0812 -0.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2407 1.1557 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2022 1.1170 -0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 1.1075 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3073 1.0757 -0.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5540 -0.9694 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -1.0208 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -1.0498 1.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5554 -1.0992 -0.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 1.1202 0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 1.1341 -0.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8189 1.0527 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 1.1352 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0754 -0.9775 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1364 -1.0471 0.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1604 -1.0053 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0849 -1.1215 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4224 1.1009 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4398 1.1061 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4026 1.1710 0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3450 1.0283 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7014 -1.0316 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6291 -1.1216 -0.8818 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6709 -1.0105 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6341 -1.1240 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0004 1.1041 0.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9030 1.0425 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9295 1.0195 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 1.1218 0.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1741 -1.1104 -1.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2733 -1.0531 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0828 0.1857 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8359 0.1705 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 M END $$$$ E07AXS -OEChem-05082103093D 45 44 0 0 0 0 0 0 0999 V2000 8.8022 0.4015 -0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -0.4432 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 0.3602 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2957 0.4292 0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 -0.4609 0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5646 -0.4239 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8237 0.3984 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8553 0.4027 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 -0.4188 0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -0.4538 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4118 0.3942 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4114 0.3717 -0.0307 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6711 -0.4707 -0.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6783 -0.4693 -0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9281 0.3828 -0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0727 -1.1544 0.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0267 -1.0376 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 1.0854 -0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 0.9468 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2752 1.1255 -0.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3077 1.0328 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5588 -1.0675 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5703 -1.1607 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 -1.1144 0.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 -1.0410 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8492 0.9744 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 1.1256 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8612 1.0569 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8638 1.0567 -0.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0518 -1.0425 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1721 -1.1099 0.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0980 -1.1384 -0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1382 -1.0765 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4680 1.0429 0.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3736 1.0547 -0.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3783 1.0424 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 1.0305 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6257 -1.1203 -1.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7239 -1.1211 0.7614 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6848 -1.0811 -1.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7661 -1.1232 0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0176 1.0225 0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9191 1.0225 -1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8164 -0.2547 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5952 -0.1591 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 M END $$$$ E07JCO -OEChem-05082103053D 12 11 0 0 0 0 0 0 0999 V2000 1.8583 0.1559 -0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -0.1560 -0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5629 -0.5149 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5629 0.5150 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4896 -1.1646 -0.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -1.1509 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4971 1.1509 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4897 1.1646 -0.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9442 0.7259 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.5417 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 -0.7259 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5996 0.5415 -0.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E07KZL -OEChem-05082103043D 5 4 0 0 0 0 0 0 0999 V2000 -0.0416 -1.3017 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1005 0.6377 0.0001 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1387 0.5685 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0034 0.0956 -0.0004 N 0 3 0 0 0 0 0 0 0 0 0 0 0.9095 -1.5016 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 2 0 0 0 0 M CHG 2 2 -1 4 1 M END $$$$ E07NIW -OEChem-05082103343D 55 58 0 1 0 0 0 0 0999 V2000 3.5733 -0.8713 -0.7630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1158 1.8401 1.6503 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8967 -0.3017 2.5868 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9219 -1.8291 0.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 -2.5269 -2.8438 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 -1.3853 0.1296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 3.1323 -0.6073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0879 3.9170 -0.6579 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 -1.8869 0.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3854 3.2356 -0.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7739 0.8907 -0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6167 -2.3662 -0.7804 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7011 -2.1523 1.4809 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0736 0.4834 1.2084 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4895 0.4470 -0.2123 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4920 -0.0927 1.2325 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5588 -1.4367 0.5075 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9181 -1.3384 -0.8782 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0319 0.8639 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 -2.6929 -1.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -0.0883 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 2.2024 -0.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3173 0.3009 -0.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6508 1.6423 -0.2841 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3605 2.5945 -0.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 -0.7142 0.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7889 -0.2900 0.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0653 2.0665 -0.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1223 1.0512 -0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8002 -1.2426 0.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 1.4401 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1389 -0.8508 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4716 0.4877 0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5207 -2.6995 0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2073 -1.8301 0.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0551 1.1124 -0.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4429 -0.0676 1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2112 0.6143 0.8007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 -2.2021 1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4745 -0.6430 -1.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 -3.4173 -1.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8767 -3.1026 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6753 2.3408 1.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 0.5526 3.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3730 -1.1607 -0.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3734 -2.1597 -2.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3154 -1.4401 0.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2656 4.0025 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7393 2.4814 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8668 4.0798 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -2.8444 1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4057 -3.3290 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9903 -3.1202 -0.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8080 1.8513 -0.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3338 -3.0236 -0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 16 1 0 0 0 0 3 44 1 0 0 0 0 4 17 1 0 0 0 0 4 45 1 0 0 0 0 5 20 1 0 0 0 0 5 46 1 0 0 0 0 6 21 1 0 0 0 0 6 47 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 25 1 0 0 0 0 8 50 1 0 0 0 0 9 26 2 0 0 0 0 10 28 2 0 0 0 0 11 33 1 0 0 0 0 11 54 1 0 0 0 0 12 35 1 0 0 0 0 12 55 1 0 0 0 0 13 35 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 22 25 2 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 28 1 0 0 0 0 26 27 1 0 0 0 0 27 29 1 0 0 0 0 27 30 2 0 0 0 0 28 29 1 0 0 0 0 29 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 33 1 0 0 0 0 31 49 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 34 51 1 0 0 0 0 34 52 1 0 0 0 0 34 53 1 0 0 0 0 M END $$$$ E07QDG -OEChem-05082103073D 22 21 0 1 0 0 0 0 0999 V2000 1.1033 -1.2860 1.2673 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5537 -1.0509 -0.9426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7313 1.7545 0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 0.1905 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5643 1.0793 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 0.8408 0.2948 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3423 0.3183 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4509 -1.2719 -0.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 -0.5747 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5824 0.5084 -1.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 0.9573 -1.6937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8798 2.1273 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3267 0.9880 1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6488 -0.0803 1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5447 1.3661 1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 -0.2347 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -1.3871 -1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9914 -1.7963 0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3866 -1.8167 -0.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4154 2.7159 0.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9986 1.6785 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4347 -2.2013 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END $$$$ E07QDW -OEChem-05082103213D 6 5 0 0 0 0 0 0 0999 V2000 -1.6059 -1.4645 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6063 1.4642 0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6059 1.4646 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6063 -1.4642 0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6718 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6718 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 M END $$$$ E07RWU -OEChem-05082103093D 53 52 0 0 0 0 0 0 0999 V2000 6.0504 0.3657 -0.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8569 -0.1223 1.4659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7154 -0.0878 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6283 -1.1082 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0991 -0.5897 0.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 -0.5952 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2235 0.4074 -0.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8428 -1.6297 0.0272 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6152 -0.1232 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2255 -1.1290 -0.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7038 0.8828 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 -2.1031 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0928 0.3694 0.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7563 -1.5923 -0.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1741 1.3805 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1950 -0.3759 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5802 1.5367 0.1834 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9766 1.8067 -0.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6407 2.7070 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7076 0.1115 -1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5037 0.8616 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -1.3226 1.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8326 -2.0508 -0.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0961 -0.8150 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 -1.5323 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0283 0.3366 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 -0.3613 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0366 1.3348 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1965 0.6664 -1.1866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -2.5688 -0.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8418 -1.8480 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7912 -1.0694 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6637 -0.3358 1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2227 -0.9230 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4176 -0.1719 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 1.0781 -1.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5146 1.8364 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3539 -2.3365 0.9934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 -3.0457 -0.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2973 -0.5716 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1315 0.1575 1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5017 -2.3776 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7548 -1.3477 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0166 2.3223 0.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1834 1.5926 -1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1589 0.9923 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6813 1.3795 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9547 1.9531 -1.4413 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4204 2.6924 0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6301 0.9480 -0.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5051 2.8774 -1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0227 3.6263 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 2.5045 0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 6 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 7 1 0 0 0 0 5 24 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M END $$$$ E08BBO -OEChem-05082103123D 26 26 0 0 0 0 0 0 0999 V2000 -2.7046 0.2012 0.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.0882 -0.3545 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 1.6656 -0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9146 -1.9439 -0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3955 -0.1106 -0.0869 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0089 -0.3072 -0.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 -0.9001 -0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 1.2716 0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1297 1.0750 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9881 1.8644 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 -0.7286 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0508 -0.2861 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9968 0.8831 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -1.5962 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.9787 -0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 1.9255 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0685 2.9423 0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2611 -0.7978 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1747 -0.9903 0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0370 0.5460 0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7847 1.4156 1.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8696 1.6049 -0.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9929 -2.2398 1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0240 -0.7764 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -2.1910 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2463 2.6256 0.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 15 1 0 0 0 0 8 10 2 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$ E08DIP -OEChem-05082103043D 15 15 0 0 0 0 0 0 0999 V2000 -2.3940 1.1116 -0.0088 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -1.2284 -0.0034 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 -1.1814 0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2969 0.0397 0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 1.2273 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4117 -1.1510 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8161 1.1886 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 0.0472 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4302 -0.0535 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 2.1930 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 -2.1309 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 2.1016 0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -0.1381 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -2.0884 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 -1.2053 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 M END $$$$ E08FQA -OEChem-05082103043D 4 3 0 0 0 0 0 0 0999 V2000 0.7247 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7247 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8233 -0.7000 -0.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8233 -0.6175 0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E08HTI -OEChem-05082103043D 16 16 0 0 0 0 0 0 0999 V2000 2.3679 -1.0991 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 -0.3077 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 -1.0422 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 1.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2108 -0.3826 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5181 -1.0126 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0682 1.7462 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.0116 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0453 -2.1292 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0776 1.6700 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4534 -1.9685 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8419 -1.2032 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2866 -0.4176 -0.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1019 2.8317 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 1.5375 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1203 -0.4826 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E08NVW -OEChem-05082103193D 46 45 0 0 0 0 0 0 0999 V2000 5.7501 -0.0516 -0.2364 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1176 -1.3405 0.5145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7400 -0.3415 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0584 0.3850 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5024 0.5071 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3353 -0.4400 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8151 -0.2155 -0.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6189 0.3575 0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 0.6408 0.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8943 -0.4434 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3392 -0.1188 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1786 0.3580 0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5888 0.7030 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4129 -0.5038 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9382 0.6842 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1387 -0.1806 -0.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7239 -0.6500 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7003 -1.2590 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1107 1.2744 -0.5067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0404 0.7516 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 0.8056 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5477 1.4302 -0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3121 -1.3065 0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -0.8339 -1.0861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8656 -1.1320 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 -0.5259 -1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6133 1.2512 -0.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6333 0.7085 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0659 0.9327 1.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0034 1.5630 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9056 -1.3292 0.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8688 -0.8086 -1.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 -0.4093 -1.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3851 -1.0568 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2032 1.2123 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1976 0.7590 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5766 1.6215 -0.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6104 0.9780 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4322 -1.3474 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3203 0.0877 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4379 -0.8997 -1.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 0.9569 1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9540 1.5942 -0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1003 -0.5097 -1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 0.3633 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8966 -1.8721 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 M END $$$$ E08RJB -OEChem-05082103093D 22 22 0 0 0 0 0 0 0999 V2000 -2.1095 -0.3549 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -0.7259 -0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6996 1.9102 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 0.3608 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1019 1.3441 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 -0.9877 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 0.7414 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5199 -0.1093 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4481 0.9788 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -1.3531 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8051 -0.3697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2514 -1.4348 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 2.4003 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2661 -1.7872 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 0.4641 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7883 0.4636 -0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 1.7543 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -2.4050 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3345 -1.2838 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9757 -2.0266 -0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9772 -2.0261 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 0.0798 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 11 1 0 0 0 0 2 22 1 0 0 0 0 3 7 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 10 2 0 0 0 0 6 14 1 0 0 0 0 8 12 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E08VAJ -OEChem-05082103053D 19 19 0 0 0 0 0 0 0999 V2000 2.2627 -0.9870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 1.7917 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6702 -0.3030 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1085 -0.2634 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3066 -0.1985 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1177 -0.9281 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 1.1309 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 1.1959 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0428 1.8606 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -0.8912 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -2.4077 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2062 -2.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 1.7848 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0279 2.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -1.9940 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6477 -2.7702 -0.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6479 -2.7701 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1516 -2.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1681 2.7496 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E08YBT -OEChem-05082103123D 16 15 0 0 0 0 0 0 0999 V2000 2.1193 1.2947 -0.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9193 0.8702 0.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1915 -1.2806 -0.0218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5268 -0.5240 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.5350 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9191 0.0812 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 -0.8948 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 -0.0817 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4352 -1.1566 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4323 -1.1644 0.8764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 1.1700 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4757 1.1656 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0117 -1.4933 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0225 -1.5419 -0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0147 -0.3502 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8178 0.4767 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E09BVZ -OEChem-05082103093D 9 8 0 0 0 0 0 0 0999 V2000 1.2818 -0.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 0.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 -0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 0.1063 -0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2188 -1.2959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 0.1063 0.8871 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 1.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1647 0.2911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -1.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 M END $$$$ E09DGH -OEChem-05082103083D 35 36 0 0 0 0 0 0 0999 V2000 1.7294 0.6551 1.6096 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9457 1.8551 0.8355 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5716 0.0582 0.2894 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 -0.6599 0.6630 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 -1.3153 -0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7244 0.9211 -0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 -2.2312 1.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4362 -1.7939 -1.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0057 2.3577 -0.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4634 0.8426 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 0.5067 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1853 0.8125 0.2442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7065 -0.5008 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4876 1.1339 -0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5635 -1.5271 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3152 0.0996 -0.6151 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8612 -1.2144 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -1.4430 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5952 0.6285 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -3.2719 0.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0257 -2.1949 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 -2.0536 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3921 -1.3706 -2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3810 -2.8810 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4207 -1.5799 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2954 2.9494 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 2.8697 -0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8450 2.4138 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1963 -0.1433 -2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6621 1.4224 -2.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 1.3266 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8488 2.1575 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2185 -2.5568 -0.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3269 0.3268 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5190 -2.0058 -0.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 11 2 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 M END $$$$ E09EXY -OEChem-05082103043D 8 7 0 0 0 0 0 0 0999 V2000 -0.3035 1.2890 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -0.8878 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -0.3516 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 -0.0496 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8368 0.0570 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 0.0676 0.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5207 -1.4356 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2598 1.5081 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E09FSQ -OEChem-05082103223D 33 33 0 1 0 0 0 0 0999 V2000 0.8638 -1.6470 1.6272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4195 1.1280 -1.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 3.4099 0.2496 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 -2.1021 -1.1105 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -2.3571 -0.5509 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 0.9059 1.5021 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4192 -0.7787 -0.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2118 1.2685 -0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -0.0082 -0.0605 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4488 -0.4921 0.3604 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2020 -0.2865 -0.2471 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.4872 0.5991 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2183 -0.6895 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4767 0.6831 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 2.5398 -0.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -0.7970 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5712 -1.4002 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1369 0.2524 0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5737 -0.1165 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 1.0475 1.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6387 2.9842 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0393 2.3753 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1772 -0.3123 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 -0.8747 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5172 -1.9179 1.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5082 -0.8423 0.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -0.8431 -1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1479 4.2467 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 -2.4535 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 -2.9502 -0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6976 -0.5482 1.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8097 0.9515 0.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3327 -0.6482 -0.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 14 2 0 0 0 0 3 15 1 0 0 0 0 3 28 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 18 2 0 0 0 0 7 19 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 M END $$$$ E09IIR -OEChem-05082103163D 38 37 0 0 0 0 0 0 0999 V2000 -3.6209 -0.7547 -0.1808 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5979 0.7506 -0.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.6215 1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7999 0.6385 1.2186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0666 -0.8058 -1.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 0.7244 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -1.2936 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4832 1.2110 -1.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -0.8535 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 0.8252 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3533 0.2284 0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -0.1658 0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7262 1.5954 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8116 0.1948 0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7887 -1.5626 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8235 -0.1109 0.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4306 -1.2044 -0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4601 -1.2193 -1.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4612 1.1575 -0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4892 1.1065 -1.9674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.9093 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 -2.3879 -1.1206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 0.7917 -2.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 2.3030 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3111 -0.0265 1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3432 0.1478 1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3433 2.3859 0.7689 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7322 1.6771 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6111 1.8008 -0.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4110 0.9193 0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2327 -0.8040 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9071 0.4106 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4342 -2.3059 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8008 -1.6482 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 -1.8350 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4558 -0.7836 0.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2147 0.9079 0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9069 -0.3833 -0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 8 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 M END $$$$ E09KDO -OEChem-05082103103D 30 30 0 0 0 0 0 0 0999 V2000 -2.4469 -0.7440 -0.0086 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5606 1.5546 0.1905 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -0.6458 -0.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2504 -0.0145 0.6931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5866 -2.0713 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 0.1646 -1.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 0.0915 0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 -0.9544 0.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 1.2327 -0.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 0.4410 0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4332 -0.8563 0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 1.3308 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9499 0.2862 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4709 0.1849 0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4025 -0.5972 1.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5851 0.9862 0.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 -2.5892 -1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5812 -2.6644 0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -2.0998 -1.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1398 1.2431 -1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8535 -0.1378 -2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0979 0.0119 -2.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -1.8462 1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0761 2.0535 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0968 -1.6688 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 2.2206 -0.9147 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0155 0.3627 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4727 -0.4306 1.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0246 -0.3074 -0.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9588 1.1373 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 12 2 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 M END $$$$ E09OPU -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 -1.3915 -0.5796 -0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3915 -0.5796 0.1488 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6979 0.5796 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6979 0.5796 -0.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2604 1.4681 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6563 0.5356 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 1.4625 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6683 0.5540 -1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 -0.5340 -1.1186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 -1.3546 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E09WWS -OEChem-05082103243D 86 87 0 1 0 0 0 0 0999 V2000 -0.0840 -1.6877 -0.1204 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0148 0.1875 -1.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.0776 0.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3029 -2.7089 0.8713 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7804 -2.5931 1.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -2.4888 2.1182 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6767 -2.3478 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1109 -1.9440 -0.6989 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1513 -2.2671 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0478 -2.4426 1.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 -0.5731 -1.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0795 -4.0851 0.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2623 -1.5722 0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -1.2578 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 0.5984 -0.3499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5816 1.9610 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5763 3.1840 -0.0469 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0420 -3.0800 -1.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6162 2.9794 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 -1.0888 0.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -0.4421 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 2.7549 0.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 0.0436 -1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7628 -0.2826 -0.8486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 4.4328 -0.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2023 2.4963 1.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7055 -1.4220 1.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 -0.0809 -2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 2.1903 1.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9377 0.9178 -2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1188 1.8872 2.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8624 3.3712 0.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 1.4270 -0.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6922 1.8555 -0.8811 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9104 -1.7356 1.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1051 -3.4812 1.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.5263 2.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -3.2653 2.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 -3.1480 -0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 -1.4068 -0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1310 -1.9147 -0.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4457 -3.2308 0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2784 -1.5365 1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5892 -2.0546 2.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4211 -3.4517 1.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5244 -0.3956 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8162 -0.5844 -1.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -4.8968 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 -4.2163 -0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 -4.2144 -0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 0.4308 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8668 0.6244 0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 1.8994 -1.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3357 2.1360 -1.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5882 3.3180 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8356 -2.9561 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1850 -4.0563 -1.2516 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0919 -3.0905 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9691 2.1497 1.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6766 3.8670 1.7878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 3.6353 0.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0547 1.9028 0.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2512 4.3243 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1552 5.3140 -0.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 4.6281 -1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 1.6472 2.5399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 3.3619 2.6419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6967 -0.7793 2.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 -1.2990 0.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6771 -2.4700 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3114 0.9797 -2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6961 -0.2286 -1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3154 -0.6880 -3.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 1.3094 0.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4131 0.5393 -3.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9930 0.9632 -3.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 1.9385 -2.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1549 2.7450 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 1.6378 2.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7111 1.0341 3.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7588 4.3075 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3889 3.4970 -0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9294 3.2080 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4099 1.1190 -0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7781 1.9682 -1.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9065 2.8192 -0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 33 1 0 0 0 0 3 33 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 10 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 39 1 0 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 18 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 18 58 1 0 0 0 0 19 22 1 0 0 0 0 19 59 1 0 0 0 0 19 60 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 22 26 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 24 2 0 0 0 0 23 30 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 29 1 0 0 0 0 26 66 1 0 0 0 0 26 67 1 0 0 0 0 27 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 28 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 33 34 1 0 0 0 0 34 84 1 0 0 0 0 34 85 1 0 0 0 0 34 86 1 0 0 0 0 M END $$$$ E09YDF -OEChem-05082103213D 92 94 0 1 0 0 0 0 0999 V2000 -2.9482 2.4477 0.2923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2933 0.7071 0.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9818 2.8865 0.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 1.4743 0.3241 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6166 2.6812 -0.9618 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1991 1.3538 -1.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6879 3.3533 -1.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7306 0.4958 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8282 -1.7645 0.2694 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3388 -0.8103 -0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4362 2.5223 -2.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6740 -2.2029 1.1961 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7784 3.6348 -0.6466 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8648 2.0529 -0.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6428 2.0354 0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 -2.9131 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3946 -3.3645 1.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1727 -4.0298 0.7187 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9574 -1.0797 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 1.5940 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0914 1.5977 1.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2918 -2.9951 -0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -3.5543 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2294 1.1542 1.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 1.1488 0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3784 -4.7957 1.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8509 -2.5142 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 1.5662 -2.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 1.5967 2.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1398 -3.0629 -2.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8204 0.6800 2.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7841 -4.0857 -3.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0092 -1.9580 -2.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2299 1.7041 0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6063 1.1480 0.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 -0.1624 1.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 1.9183 0.3182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 -0.6554 1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1632 0.1955 0.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9813 1.5362 -2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4303 0.7595 -1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3756 4.3333 -1.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2077 3.5337 -2.9342 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4845 1.0529 0.2414 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9147 0.2551 0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2442 -2.6573 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6224 -1.3255 -1.4926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1902 -0.5647 -1.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7189 3.1547 -2.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 1.6601 -2.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0828 -2.8926 1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2819 -1.3508 1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3915 3.8347 -1.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3967 4.5931 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4254 3.2481 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1006 -2.2400 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9226 -3.7837 -0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0528 -2.5055 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8329 -4.0711 2.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 -4.7604 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4311 -1.7988 1.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7332 -0.7004 0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5929 -0.2518 1.6641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8966 -2.4689 -0.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0343 -2.2332 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5676 -4.0995 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6065 -4.2852 -1.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0281 -5.4802 2.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4091 -5.4070 1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 -4.1100 2.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 -1.9757 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1360 -1.7712 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 2.5686 -2.3141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 0.8863 -2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 1.2064 -2.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2595 0.5796 2.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 2.2342 2.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3562 1.9856 3.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7278 -3.5703 -1.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 0.0412 3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7150 0.0663 2.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 1.5349 3.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6855 -4.4203 -3.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3183 -4.9788 -2.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -3.6610 -3.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2832 -1.2238 -1.8745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -2.3701 -3.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4806 -1.4293 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0298 -0.8155 1.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5804 2.9474 -0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3477 -1.6731 1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1948 -0.1406 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 25 1 0 0 0 0 2 34 1 0 0 0 0 3 34 2 0 0 0 0 4 37 1 0 0 0 0 4 39 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 11 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 10 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 19 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 14 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 16 1 0 0 0 0 12 51 1 0 0 0 0 12 52 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 56 1 0 0 0 0 16 57 1 0 0 0 0 17 18 1 0 0 0 0 17 58 1 0 0 0 0 17 59 1 0 0 0 0 18 22 1 0 0 0 0 18 26 1 0 0 0 0 18 60 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 25 2 0 0 0 0 20 28 1 0 0 0 0 21 24 2 0 0 0 0 21 29 1 0 0 0 0 22 23 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 27 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 31 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 30 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 28 75 1 0 0 0 0 29 76 1 0 0 0 0 29 77 1 0 0 0 0 29 78 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 30 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 31 82 1 0 0 0 0 32 83 1 0 0 0 0 32 84 1 0 0 0 0 32 85 1 0 0 0 0 33 86 1 0 0 0 0 33 87 1 0 0 0 0 33 88 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 38 2 0 0 0 0 36 89 1 0 0 0 0 37 90 1 0 0 0 0 38 39 1 0 0 0 0 38 91 1 0 0 0 0 39 92 1 0 0 0 0 M END $$$$ E09ZKW -OEChem-05082103273D 12 11 0 0 0 0 0 0 0999 V2000 1.8166 -0.3326 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -0.0859 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -0.4747 -1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 -1.2906 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 1.2264 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 1.1186 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 0.0629 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.2241 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 2.2034 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.9971 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -1.1057 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -0.9532 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E09ZWX -OEChem-05082103093D 53 52 0 0 0 0 0 0 0999 V2000 -3.4847 -1.6964 -0.9513 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 3.7104 0.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6788 -2.4930 0.9371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 0.0337 -0.1141 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8024 0.1592 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 -0.5763 -0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1205 -0.4920 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 0.1074 0.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3574 0.2830 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0266 -0.5945 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6427 -0.3673 -0.2206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3077 0.1644 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8816 0.3873 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1666 -0.2814 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5664 -0.5943 -0.4025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8551 1.3367 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0729 -0.5693 -0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4008 0.4467 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8565 2.4659 -0.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5914 -1.4301 0.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 0.2041 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7808 1.1950 -0.0935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -0.6521 -1.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 -1.6017 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 -1.5147 0.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1347 -0.5738 -1.2579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2574 1.1285 -0.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2056 0.2062 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2991 1.3166 -0.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3747 0.3239 1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0604 -1.6000 0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9758 -0.7324 -1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6306 -0.3885 -1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6894 -1.4080 0.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2896 1.1386 -0.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3222 0.3116 1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8818 0.4246 1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 1.4233 -0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1985 -1.3223 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1838 -0.2997 -1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0350 1.4780 1.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7630 1.3834 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9302 -1.1981 -1.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7915 0.2154 -0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4304 0.4525 1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3080 -0.0473 -0.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4160 1.4838 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9441 2.4774 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7081 2.3759 -1.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6994 -0.8510 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5624 -1.8608 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9684 4.4064 -0.4787 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0457 -3.0240 1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 19 1 0 0 0 0 2 52 1 0 0 0 0 3 20 1 0 0 0 0 3 53 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 20 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 M END $$$$ E09ZXG -OEChem-05082103053D 31 31 0 1 0 0 0 0 0999 V2000 0.4167 2.3656 0.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -0.0351 0.4283 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0704 1.1567 -0.1560 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1195 -1.3636 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -0.2825 -0.3743 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5705 1.0447 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 -1.4666 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 0.0476 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 -0.3844 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.0757 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -0.0067 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 0.0011 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 1.2366 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -2.2170 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -1.4865 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -0.3149 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 1.8891 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 1.1543 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -2.4073 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -1.5097 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 0.9985 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 0.4445 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -1.3190 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -0.3576 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7722 -2.0566 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.8974 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 -1.1242 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -0.9567 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 0.0983 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.8109 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 2.3126 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E0A0TR -OEChem-05082103083D 22 22 0 1 0 0 0 0 0999 V2000 -0.3286 1.4380 -0.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.0541 -0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1281 -2.4030 0.5076 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 -0.1633 0.0170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7611 0.7979 1.1072 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7659 2.2710 -0.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 -0.9900 0.0233 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7347 -1.2176 -0.1865 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1477 0.3466 -0.5965 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5191 -0.0528 0.3875 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5970 0.7191 -0.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0188 1.3083 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 -1.0294 1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9695 -1.3777 -1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 0.3040 -1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4901 -0.0770 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3025 -0.0156 -0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8445 1.6992 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 -1.9932 -0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5907 -3.1348 0.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9337 -0.1865 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1315 1.4599 1.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 11 1 0 0 0 0 5 22 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0A1CS -OEChem-05082103043D 4 3 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 0.2906 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7256 0.6896 -0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -0.8701 0.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 M END $$$$ E0AA3N -OEChem-05082103063D 19 19 0 0 0 0 0 0 0999 V2000 2.5403 0.9305 -0.7926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5906 -0.5680 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -0.2714 0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 -0.4006 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3119 1.0257 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -1.2908 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 1.3035 0.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9317 -1.0130 -0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4323 0.2841 -0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 -1.5876 1.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 0.0978 1.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3758 -1.0805 -1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6175 -0.6024 0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 1.8297 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -2.3050 -0.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0126 2.3133 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 -1.8064 -0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4528 0.5003 -0.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7737 1.5262 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 6 8 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 M END $$$$ E0B2KS -OEChem-05082103053D 13 13 0 0 0 0 0 0 0999 V2000 -2.3622 0.0001 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0011 0.0000 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 1.2080 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3038 -1.2079 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0912 1.2080 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 0.0000 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 2.1559 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8415 -2.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6345 2.1484 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6341 -2.1486 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8747 -0.0001 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6772 0.9203 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 2 0 0 0 0 4 9 1 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0B2SX -OEChem-05082103073D 8 7 0 0 0 0 0 0 0999 V2000 -0.6785 -1.0884 -0.1258 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6782 1.0886 -0.1258 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 0.0000 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -0.0001 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1142 0.0000 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -0.0002 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9196 0.8922 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9195 -0.8925 0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0BA0I -OEChem-05082103233D 57 56 0 0 0 0 0 0 0999 V2000 11.2572 0.4647 0.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3965 0.2994 -0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -0.4850 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0912 -0.4600 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9909 0.2550 -0.2149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 0.3570 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -0.5694 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4332 -0.4475 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5154 0.2298 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7198 0.3477 -0.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8064 -0.5437 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9888 -0.4321 0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1202 0.1856 -0.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2752 0.3615 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5818 -0.3947 0.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2130 1.4836 0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3540 -0.6775 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8645 0.4137 -0.0444 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1361 -0.3881 0.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 1.2063 0.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4061 0.6372 -1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 -1.4087 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.7938 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 -0.7694 1.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0907 -1.3784 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0163 1.1836 0.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9950 0.5458 -1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1658 1.2743 0.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1415 0.6591 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -1.4865 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2384 -0.8718 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4201 -0.7886 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 -1.3473 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4905 1.1460 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5144 0.5368 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6912 1.2697 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7598 0.6503 -1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7799 -1.4836 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8145 -0.8288 1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9523 -0.7312 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -1.3558 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1120 0.4431 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2796 0.7095 -1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2592 1.2622 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 -0.7768 1.1829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6121 -1.2741 -0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1128 1.2951 1.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 2.1999 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1797 1.9722 0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4258 -0.9511 1.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3114 -1.6015 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2705 -0.1464 -0.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8875 0.8233 -1.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8563 1.2859 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2078 -1.2261 -0.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1645 -0.7740 1.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0531 -0.0704 0.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 5 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 18 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 M END $$$$ E0BG2A -OEChem-05082103163D 56 55 0 0 0 0 0 0 0999 V2000 -10.7034 -0.6004 0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6697 1.4089 -0.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9327 -0.4399 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1771 0.4122 -0.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6161 0.3176 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -0.3245 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 0.5507 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6675 -0.5021 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0471 -0.1875 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9449 0.3232 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2938 0.6638 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1926 -0.5482 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6144 -0.0836 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5043 0.2315 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7892 -0.5943 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0669 0.2473 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7718 -1.3308 -0.6089 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7991 0.8580 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3321 -0.6015 0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6058 0.1995 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9612 -0.8197 1.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -1.3151 -0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 0.7508 -1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1305 1.3125 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6203 0.7529 -1.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5868 1.1625 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4747 -0.7015 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5605 -1.2004 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7491 0.9287 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6639 1.4258 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6620 -1.3208 -0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6656 -0.9654 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0691 -1.0836 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0528 -0.5279 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9514 0.7927 -1.0676 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9611 1.1309 0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2763 1.0131 -1.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2503 1.5592 0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1719 -1.0339 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -1.3496 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6324 -0.3957 1.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5199 1.0230 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 0.7388 -1.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8015 -1.3574 -0.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7756 -1.1281 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0563 1.0144 0.7712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0843 0.7814 -0.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6567 -1.0907 -1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0366 -2.0976 -0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7621 -1.7786 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8405 1.1958 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7244 1.7427 0.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7456 0.3582 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3529 -1.0773 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3299 -1.3823 -0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5330 -0.0893 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 56 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 6 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 8 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 9 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 19 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 M END $$$$ E0BI3X -OEChem-05082103263D 39 39 0 1 0 0 0 0 0999 V2000 -1.8337 2.9115 -0.4575 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1213 -0.0281 -1.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 2.0358 1.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 0.4131 -0.4127 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1389 0.9708 1.2123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5352 0.1671 0.0723 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9540 -2.5588 0.2571 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 1.0282 -0.6567 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3701 0.2130 -1.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4857 -1.2131 0.4761 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3150 -0.6407 -0.6694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -0.2954 -0.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 2.0398 0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9887 -1.2164 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 -1.9395 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5233 -0.1063 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -2.7271 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3947 -0.8940 0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5756 0.1586 0.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -2.2044 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 3.8858 0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 1.6211 -1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9631 0.8843 -2.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 -0.4345 -2.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2702 -0.1236 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2977 -0.9132 1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -1.9106 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 -1.5215 -0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0113 -2.3603 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 0.9091 -0.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9541 -2.5729 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0719 -2.8319 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -3.7484 0.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3463 -0.4877 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 -2.8181 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2243 3.3922 1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1171 4.5115 -0.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8289 4.5201 0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9882 1.3139 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 19 1 0 0 0 0 4 39 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 M END $$$$ E0BS9U -OEChem-05082103253D 24 23 0 1 0 0 0 0 0999 V2000 -0.0176 -1.3519 0.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 1.2088 1.5932 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.3308 -0.6092 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 0.6445 -1.4872 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 -0.6031 0.0767 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 -1.5079 -0.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3471 -0.0924 -0.2555 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6452 0.9954 0.1914 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8171 0.1651 0.1072 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1330 0.7333 -0.0781 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7599 -0.9702 -0.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -0.5525 0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2588 -0.2053 -1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3684 1.9299 -0.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 0.3780 1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7434 1.5554 0.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7491 -1.1463 -1.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 -1.9050 0.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1537 -1.3078 1.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 0.3906 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6519 -0.5851 1.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1591 1.1487 -1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 0.6141 -1.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1126 -0.4767 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 19 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 9 1 0 0 0 0 3 22 1 0 0 0 0 4 10 1 0 0 0 0 4 23 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0BT1Y -OEChem-05082103313D 39 40 0 1 0 0 0 0 0999 V2000 -2.4611 0.0471 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9861 0.4643 0.2752 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5923 -0.9178 -0.3741 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9999 -1.4224 0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5959 1.7655 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5019 0.3501 1.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9676 0.4864 -1.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 -1.6514 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 2.3694 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7678 -1.8940 -0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8751 1.3838 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8187 -0.7632 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6583 -2.0718 1.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1315 0.5672 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5141 1.2868 1.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 0.5266 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5147 -0.8503 -1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4788 -2.0931 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0767 -1.8914 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3671 2.5265 -0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5394 1.6181 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7104 1.4244 1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4449 -0.1685 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 0.0393 2.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.2604 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9086 -0.0240 -1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 1.5607 -1.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5435 2.7920 1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0229 3.2137 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2722 -2.8355 -0.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3759 -2.0420 -1.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4821 -0.8858 -1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 -0.8521 0.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1437 -1.8934 2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5308 -2.5964 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6197 0.7462 -1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7954 0.9112 2.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8494 2.2787 1.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 0.6409 1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 M END $$$$ E0C3AX -OEChem-05082103053D 38 37 0 0 0 0 0 0 0999 V2000 -7.0213 0.6218 0.0280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9285 -1.3708 0.0651 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6986 -0.3981 -0.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 0.5029 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9876 0.4275 -0.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 -0.2736 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2232 -0.4748 -0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0943 0.6286 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5433 0.2988 0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3834 -0.1996 -0.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8157 -0.5481 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6367 0.6695 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0955 0.2632 0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9042 -0.1474 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -1.0103 -0.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 -1.0856 0.7938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4974 1.1286 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 1.1842 -0.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9960 1.0554 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0228 1.1002 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8876 -0.9432 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8866 -0.9112 -0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1726 -1.1663 0.8284 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2189 -1.0899 -0.9301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0710 1.2997 -0.8889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0782 1.2574 0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5634 1.0347 -0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 0.8734 0.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 -0.8906 0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4023 -0.8210 -0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 -1.3046 0.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8287 -1.0886 -0.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6185 1.2980 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6699 1.3151 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1657 1.0084 -0.7054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1327 0.7853 1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9696 -0.3920 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8388 0.0803 0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 38 1 0 0 0 0 2 14 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 7 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 M END $$$$ E0C3YK -OEChem-05082103083D 13 12 0 0 0 0 0 0 0999 V2000 0.4529 -1.3146 0.0031 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 0.7849 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4991 -0.0855 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 -0.0269 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8184 0.6421 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7184 1.4081 0.9111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 1.4368 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8973 0.6357 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 -0.6824 0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0793 -0.6561 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 1.2660 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6388 -0.0811 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 1.2589 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 M END $$$$ E0C5QF -OEChem-05082103073D 14 13 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 -0.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 1.3473 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4342 -0.2109 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 -1.1365 0.1201 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 -1.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 1.4007 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0922 2.1671 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5526 1.5147 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -0.2192 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0882 0.5872 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8308 -1.1634 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 -1.1816 1.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5355 -2.1020 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.0036 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 M END $$$$ E0C6OP -OEChem-05082103123D 23 22 0 1 0 0 0 0 0999 V2000 -1.2679 -0.2171 0.4984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4361 -0.0992 -0.1914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4237 0.5423 0.1624 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.4928 0.7862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 1.0039 0.0511 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7911 0.9993 0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8535 1.1097 -1.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 -0.3600 0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7709 -0.2348 0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 -1.8114 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3124 -1.4256 -0.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 1.8478 0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 1.9378 0.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 0.8761 1.5305 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8982 1.2749 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 1.9490 -1.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 0.1924 -1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -2.3608 0.9748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 -2.2147 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 -1.9197 -0.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 -1.2900 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8033 -2.3313 -0.3239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3808 -1.5264 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 M END $$$$ E0CM2S -OEChem-05082103093D 16 15 0 0 0 0 0 0 0999 V2000 -0.6128 0.3157 0.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -0.1923 0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.4226 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7439 -0.5439 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7701 0.5459 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 0.2972 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6555 -1.0661 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6494 -1.0701 -0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7241 -1.1690 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -1.1916 0.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7428 1.2135 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7484 1.1736 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8950 -0.3346 -0.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0327 0.9377 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0290 0.9597 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 -0.7152 0.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0CR4U -OEChem-05082103053D 17 17 0 0 0 0 0 0 0999 V2000 -2.6893 -1.1938 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8521 1.0734 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5031 -0.0257 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6965 0.0353 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -0.0053 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0183 1.2330 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -1.1828 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 1.2127 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -1.2032 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1506 0.0564 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 2.1924 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 -2.1384 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9589 2.1527 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -2.1585 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9966 -0.9084 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 0.8424 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -1.1685 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 M END $$$$ E0CU0W -OEChem-05082103083D 14 13 0 1 0 0 0 0 0999 V2000 2.2571 0.6256 -0.6447 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -1.4188 -0.4731 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3067 0.3874 -0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1282 -0.3683 0.4918 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3410 -0.0458 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9624 0.8199 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -0.7734 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8629 -0.9574 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4118 0.6784 1.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.6266 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6146 1.2035 -0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 -1.0944 -1.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 0.7576 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 1.1623 -0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 M END $$$$ E0CW9H -OEChem-05082103113D 44 43 0 0 0 0 0 0 0999 V2000 -8.2750 0.6505 0.0672 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2651 -1.3804 -0.0293 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7563 0.4532 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.3743 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9959 -0.4439 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7675 0.5253 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 0.3867 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -0.2518 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5548 -0.4630 0.0787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3605 0.5959 -0.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8738 0.3143 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 -0.2336 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1431 -0.5389 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 0.6403 -0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4200 0.2795 -0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -0.1599 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7638 1.0651 0.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 1.1416 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4693 -1.0012 -0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4301 -1.0480 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -1.1183 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9806 -1.0703 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7521 1.1748 0.9044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 1.1838 -0.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2835 1.0359 0.9565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2967 1.0462 -0.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0739 -0.9476 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1394 -0.8707 0.9059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5188 -1.1528 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5595 -1.0878 0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 1.1834 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3663 1.3129 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9293 0.9838 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8516 0.9603 -0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6475 -0.8643 0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6718 -0.9152 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0862 -1.2222 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1946 -1.1615 0.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 1.2598 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8909 1.2962 0.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5283 0.9508 0.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4182 0.8848 -1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2931 -0.3798 -0.1763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1106 0.1378 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 44 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 M END $$$$ E0CZ6G -OEChem-05082103073D 8 7 0 0 0 0 0 0 0999 V2000 1.4256 0.8888 0.5472 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 0.7901 0.5450 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0565 -1.6797 0.5451 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 -0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0015 0.0009 -1.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -0.5388 -1.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0328 1.0210 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9025 -0.4788 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0D0FA -OEChem-05082103263D 18 17 0 1 0 0 0 0 0999 V2000 0.9400 -0.9642 -1.0741 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 -1.4335 0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9552 0.4937 0.0834 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7196 0.9795 -0.1324 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -0.4595 0.2498 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7316 -0.1953 0.5195 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5975 0.8091 0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3557 0.7703 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -1.2331 0.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 0.1899 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3007 1.5822 -0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5472 1.2206 1.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8652 1.7461 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 0.3529 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -1.7578 -1.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3796 -1.2397 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 0.1220 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7347 1.3774 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 15 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0D0QF -OEChem-05082103043D 20 19 0 1 0 0 0 0 0999 V2000 2.2858 0.9701 0.2797 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 1.6402 0.6921 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 0.3693 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 -1.8775 0.4986 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4156 -0.8111 -0.8013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5662 -0.6533 0.3686 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2656 0.4223 -1.1208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5486 0.4754 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2617 -0.5355 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0596 -1.6832 -0.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 -1.0435 -1.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0512 -0.4839 1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6282 1.2591 -1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9239 0.2090 -1.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9632 -1.8082 1.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7442 -2.6701 0.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6638 -1.3256 0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -0.3183 1.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -0.8794 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 2.3619 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0D0QU -OEChem-05082103073D 5 4 0 0 0 0 0 0 0999 V2000 0.8836 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 -0.6985 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2405 1.0074 0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2406 -0.3089 -0.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ E0D6JV -OEChem-05082103043D 12 11 0 1 0 0 0 0 0999 V2000 -1.3875 1.1182 0.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4877 -1.0368 0.2617 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2263 1.1148 -0.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7078 -0.1118 0.4002 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3669 -1.1626 -0.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7481 0.0781 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7822 -0.3748 1.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2848 -0.8968 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 -1.2376 -0.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -2.1472 -0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 1.7604 0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4313 -0.9049 0.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 M END $$$$ E0D8OB -OEChem-05082103073D 20 20 0 1 0 0 0 0 0999 V2000 -1.0689 -1.6919 -0.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -1.1223 0.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 0.1409 1.1624 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7494 1.3693 -0.2178 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8201 -0.3365 -0.6825 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 1.3004 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 0.6397 -0.4567 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9671 0.6020 0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7498 -0.7917 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6556 0.3150 -1.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8043 -0.4249 0.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 1.3196 1.3946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2433 2.3450 0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3124 0.6416 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4441 0.1943 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 0.5299 -2.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6419 2.3346 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 1.4198 0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5655 -0.8810 1.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -2.6142 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 10 16 1 0 0 0 0 11 19 1 0 0 0 0 M END $$$$ E0D8PK -OEChem-05082103243D 37 41 0 0 0 0 0 0 0999 V2000 4.2944 2.2354 -0.7201 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2994 -2.2278 -0.7178 I 0 0 0 0 0 0 0 0 0 0 0 0 -1.4207 -0.0018 1.6968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1236 0.0018 -0.3154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 -0.0032 2.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4293 4.7391 0.0577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 -4.7349 0.0564 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7032 -0.0009 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8321 -0.0014 -0.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1377 1.2586 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1397 -1.2589 0.3527 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0391 -0.0026 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4828 1.1818 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4849 -1.1795 -0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7844 -0.0031 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 -0.0009 -1.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4052 2.5254 0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 -2.5267 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -0.0030 -0.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2632 2.3378 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2676 -2.3341 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3755 3.6783 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -3.6782 0.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0283 -0.0014 -2.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7093 3.5845 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7158 -3.5819 0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2454 -0.0023 -1.9268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8729 0.0000 -2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 2.6293 0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4423 -2.6325 0.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1970 -0.0039 0.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0681 4.6457 0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0684 -4.6425 0.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0358 -0.0009 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1824 -0.0026 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3336 4.5126 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -5.4902 0.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 8 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 2 0 0 0 0 6 25 1 0 0 0 0 6 36 1 0 0 0 0 7 26 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 16 2 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 23 2 0 0 0 0 18 30 1 0 0 0 0 19 27 1 0 0 0 0 19 31 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 22 25 1 0 0 0 0 22 32 1 0 0 0 0 23 26 1 0 0 0 0 23 33 1 0 0 0 0 24 27 2 0 0 0 0 24 34 1 0 0 0 0 27 35 1 0 0 0 0 M END $$$$ E0DR4N -OEChem-05082103063D 24 24 0 1 0 0 0 0 0999 V2000 0.8173 0.9667 -0.2366 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -1.6649 -1.2463 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0580 -1.9912 0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 0.7905 0.4197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8271 2.5840 -0.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 0.6143 0.3595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2831 -1.3703 0.1503 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1482 -0.9793 0.5197 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2348 -0.2110 0.4651 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5386 0.3496 -0.1266 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4795 1.4188 0.1511 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6692 -0.5074 0.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -2.2817 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2392 -0.9039 1.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2226 0.0165 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6969 0.2205 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4761 1.6989 1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7543 -0.6761 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0648 -1.3811 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -0.8344 -1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -1.6951 0.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 1.6458 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4254 3.3442 -0.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1069 1.3820 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0DS2Q -OEChem-05082103093D 30 29 0 1 0 0 0 0 0999 V2000 -0.3018 2.3198 -0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9145 -0.0423 -1.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 1.7714 0.2782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 0.2478 1.6007 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0957 -2.0373 0.1037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 -0.8347 -0.1839 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0918 1.0188 0.2367 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9314 -0.0167 -0.2883 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5394 0.7493 -0.2307 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3761 0.2704 0.1756 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0536 -0.6129 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3986 -0.7318 -0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9351 -2.1018 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.0375 1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6501 -1.0120 0.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 0.8147 -1.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 1.2650 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -1.4192 -0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -0.6437 1.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 -0.7453 -1.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4025 -0.4821 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3563 2.9512 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1332 0.8523 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0205 -0.0753 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.7353 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 1.0673 1.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3381 -2.9431 -0.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 -2.1229 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 -2.2500 -0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -2.0033 1.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 23 1 0 0 0 0 3 9 1 0 0 0 0 3 25 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 M END $$$$ E0DW0Y -OEChem-05082103243D 47 47 0 1 0 0 0 0 0999 V2000 -2.7234 -0.8806 0.9248 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9345 -1.2801 -0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8434 1.6661 -2.1265 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8198 2.7555 0.3266 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -0.9061 -2.7498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1016 -0.0699 3.4563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4776 -2.5915 -1.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5424 0.1226 1.3511 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 -1.2944 0.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3956 1.6018 -1.2179 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9001 2.2986 -0.3147 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9232 0.9803 -1.2742 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2091 1.3929 0.1712 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1076 -0.5258 -1.4493 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4465 0.5042 1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3469 -1.3159 -0.3832 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8372 0.7941 2.6098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2537 -1.9788 0.1696 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2517 -2.0237 0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8453 -0.5554 0.1324 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3673 -0.5263 -0.0869 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9635 0.8956 -0.1072 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4803 0.9369 -0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9202 1.2948 -1.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2894 1.3326 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1758 -0.7673 -1.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3656 0.6717 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6522 -2.3659 -0.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6096 1.8244 2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 0.6062 2.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 -2.5872 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 0.0054 -0.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4617 -1.6242 1.4252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5942 -3.0646 0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5923 -1.0172 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7442 1.3931 -1.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1680 3.0689 1.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.3748 -3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 1.4489 0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 0.4420 0.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7895 0.4695 -1.2206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0021 -2.0678 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3104 -0.9837 3.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.4252 2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -0.8083 1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 1.8376 -0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 2.7284 -1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 2 19 1 0 0 0 0 3 12 1 0 0 0 0 3 36 1 0 0 0 0 4 13 1 0 0 0 0 4 37 1 0 0 0 0 5 14 1 0 0 0 0 5 38 1 0 0 0 0 6 17 1 0 0 0 0 6 43 1 0 0 0 0 7 18 1 0 0 0 0 7 42 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 9 21 1 0 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0E1US -OEChem-05082103073D 5 4 0 0 0 0 0 0 0999 V2000 -1.4594 -0.9208 -0.0001 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -0.9210 -0.0002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0002 0.8843 1.0887 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8847 -1.0884 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0E2WT -OEChem-05082103053D 17 17 0 0 0 0 0 0 0999 V2000 1.2911 -2.1013 -0.1412 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9483 1.4135 0.1245 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9249 1.9236 -0.4993 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 0.0948 0.5059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 0.1521 0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2534 -1.2205 -0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5916 1.0374 0.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 0.5500 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0535 -1.7077 -0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1293 -0.8224 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8413 0.6806 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4303 2.1094 0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2484 -2.7744 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1451 -1.2079 -0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 -3.0053 -0.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6073 2.3225 0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 2.2717 -0.4763 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 11 1 0 0 0 0 3 17 1 0 0 0 0 4 11 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 9 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 M END $$$$ E0E4RQ -OEChem-05082103213D 43 44 0 1 0 0 0 0 0999 V2000 2.2684 1.7982 -0.8330 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8245 -1.9084 -1.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7756 -1.2304 -0.9173 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1391 2.9661 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6235 2.0128 0.5838 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8354 1.7465 0.6139 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4789 -1.4707 -1.0499 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5053 -1.4325 -1.0266 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2186 0.1963 0.0704 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5757 1.1964 0.2556 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 -0.6914 0.5273 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9723 -0.6150 0.5737 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 2.2704 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1582 -0.2206 -0.4161 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2007 -1.9633 1.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -1.9325 1.2208 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 0.0067 -0.3918 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8336 0.1037 -0.3357 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3925 1.4485 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9677 -0.8153 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5524 1.5477 0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9601 0.9969 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1156 -0.9187 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9175 2.3720 0.7872 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 -1.3832 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8598 -1.3357 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 -2.7444 1.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -0.4588 -1.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2921 0.4494 -1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 -0.6465 1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 -0.6185 1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 3.2825 -0.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0696 -0.6296 -0.5876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5637 -1.7894 0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8737 -0.6315 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2650 2.0743 1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6545 3.0938 1.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0161 -3.4900 1.8756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0269 -3.2496 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5735 -1.8088 2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 -1.7672 2.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0872 -1.3678 -1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 3.0860 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 2 0 0 0 0 2 20 2 0 0 0 0 3 23 1 0 0 0 0 3 42 1 0 0 0 0 4 24 1 0 0 0 0 4 43 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 8 26 2 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 17 1 0 0 0 0 11 25 1 0 0 0 0 11 30 1 0 0 0 0 12 18 1 0 0 0 0 12 26 1 0 0 0 0 12 31 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 32 1 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 33 1 0 0 0 0 15 25 1 0 0 0 0 15 27 1 0 0 0 0 15 40 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 M END $$$$ E0E5OW -OEChem-05082103043D 14 14 0 0 0 0 0 0 0999 V2000 2.7558 0.0000 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 -0.0001 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3949 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3948 0.0000 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6976 -1.2080 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6973 -1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6974 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6975 1.2079 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2354 -2.1522 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -2.1559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 2.1559 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2353 2.1521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0709 0.9202 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0710 -0.9203 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 13 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0E6QG -OEChem-05082103213D 25 24 0 1 0 0 0 0 0999 V2000 0.0013 -0.0653 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4572 -0.9919 1.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4575 -0.9931 -1.0192 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7988 -0.2184 -0.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7987 -0.2173 0.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4062 -0.1571 -0.1394 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4060 -0.1575 0.1395 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1745 0.7363 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1739 0.7350 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 0.6644 -0.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6872 0.6647 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -0.8262 -1.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3379 -0.8296 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2190 1.3383 0.8711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1307 1.4054 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 1.3411 -0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1309 1.4030 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6994 1.3540 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8245 1.2362 0.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 1.3422 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 1.2449 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2528 -1.5461 0.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 -0.4186 -1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -0.7115 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5986 0.3350 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 22 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 M END $$$$ E0E7EH -OEChem-05082103103D 19 20 0 0 0 0 0 0 0999 V2000 -3.4337 -0.7444 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2372 -0.6252 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4495 0.7741 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -1.1204 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6586 1.6368 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3454 -1.4879 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7637 1.2694 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1662 -0.2487 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9575 1.1273 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6442 -0.9785 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 0.3975 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 2.7158 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -2.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 2.3413 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 1.8166 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4926 -1.6566 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8643 0.7934 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0626 -0.0024 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 2 0 0 0 0 3 5 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 5 13 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 16 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0EW4S -OEChem-05082103053D 23 23 0 0 0 0 0 0 0999 V2000 -2.1131 -0.3568 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7062 1.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1634 -0.7318 -0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1082 0.3619 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 1.3466 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4669 -0.9861 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8017 -0.3646 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 0.9834 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8137 -1.3494 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 0.7406 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 -0.1131 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2535 -1.4395 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8381 2.4025 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2676 -1.7866 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2033 1.7599 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0812 -2.4031 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7946 0.4601 0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7929 0.4592 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3367 -1.2901 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9769 -2.0312 -0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9785 -2.0303 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4242 -1.7089 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -0.0182 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0EZ1L -OEChem-05082103083D 25 24 0 0 0 0 0 0 0999 V2000 0.5368 -3.6188 -0.1522 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4155 1.3447 -0.1559 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8855 2.2612 -0.1578 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 0.0065 0.2357 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2521 -1.3617 -0.2172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 0.8986 -0.2257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2981 0.4738 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8271 -2.3015 0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4173 0.4419 0.3018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 1.8552 0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3166 -1.4276 -1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -1.7660 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 0.9675 -1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 1.9206 0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3538 0.4824 -1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1232 -0.1550 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8644 -2.3067 1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8204 -2.0799 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4349 0.4297 1.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -0.5367 -0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 1.8499 1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9132 2.6318 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -4.2023 0.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2645 1.0427 0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8437 2.2953 -1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 9 1 0 0 0 0 2 24 1 0 0 0 0 3 10 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0F6AN -OEChem-05082103043D 21 20 0 0 0 0 0 0 0999 V2000 0.0296 0.2095 1.6069 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8558 1.7979 -1.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 2.2689 0.6622 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3908 -2.3046 -0.7871 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -0.4033 -0.9273 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5559 -0.6265 0.7317 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -1.1245 0.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1007 0.3620 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4905 -0.8791 -0.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5374 0.7096 -0.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.5773 -0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 -1.2305 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -0.3568 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -1.7555 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4574 -0.7614 -1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8842 1.6080 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5589 0.9361 -1.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 0.9771 2.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4293 2.5669 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 -2.5252 -0.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1914 -1.1116 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 11 2 0 0 0 0 4 12 1 0 0 0 0 4 20 1 0 0 0 0 5 13 1 0 0 0 0 5 21 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0F7XM -OEChem-05082103143D 29 29 0 1 0 0 0 0 0999 V2000 -2.1424 0.1465 -1.3740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4981 -0.0185 0.3677 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9892 0.0047 0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1872 -1.2387 -0.2557 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 1.2743 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6716 -1.2920 0.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 0.0437 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 1.1951 -0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6806 1.1839 0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6498 -1.3121 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8658 0.0132 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 -0.0898 1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0954 -1.2109 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2587 -2.1801 0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1099 2.1040 0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 1.5440 -1.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 -2.0127 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7744 -1.6707 1.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2201 2.1369 -0.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5109 1.1819 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7633 1.1487 0.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3551 2.1452 0.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -2.1391 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 -1.5829 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7406 -1.2352 0.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0943 0.1654 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2006 -0.4498 1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3018 1.0166 0.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 -0.5659 -0.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 8 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0FG5X -OEChem-05082103063D 15 14 0 0 0 0 0 0 0999 V2000 -1.4251 -1.5216 0.6488 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3621 0.1713 -1.7101 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4304 1.3565 0.9399 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2387 -0.0924 1.3884 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 0.0019 0.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 0.0022 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.2846 -0.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4495 -1.2025 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5416 1.2607 -0.4477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2208 1.4237 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 2.1736 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -2.1514 -0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -1.1670 -0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -1.2347 -1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -0.0872 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0G0VL -OEChem-05082103273D 12 11 0 0 0 0 0 0 0999 V2000 1.8166 -0.3326 1.1897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7358 -0.0859 0.0215 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8573 -0.4747 -1.0807 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 -1.2906 0.0077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5582 1.2264 -0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7761 1.1186 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4679 0.0629 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3895 -0.2241 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 2.2034 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.9971 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4203 -1.1057 1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1938 -0.9532 0.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0G8XK -OEChem-05272104373D 16 16 0 0 0 0 0 0 0999 V2000 -1.3005 2.3434 0.1005 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 0.1087 -0.2705 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 -0.6984 -0.8369 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8748 -0.3430 0.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3459 -0.5355 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 0.9253 0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0548 -1.4714 0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 1.0653 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3233 -1.3314 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8815 -0.0630 -0.0687 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5503 -1.4379 1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 0.2856 0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.4665 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 2.0539 -0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9501 -2.2196 0.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.0715 -1.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 7 9 2 0 0 0 0 7 13 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0G9PF -OEChem-05082103233D 26 27 0 1 0 0 0 0 0999 V2000 -0.0463 -1.4633 -0.2677 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0674 1.5672 -0.6832 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -0.6858 0.4419 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7666 -0.4926 0.3276 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2021 -0.3816 0.6667 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7103 0.7355 0.1994 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5690 0.2513 0.5646 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7850 0.0104 -0.5707 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0303 -1.1593 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.1130 -0.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8755 -0.0533 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 0.5586 0.9258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -0.7670 1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0368 1.3681 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7304 0.8855 1.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2627 0.6039 -1.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -0.8932 -2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6457 -2.0547 -1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6181 0.5582 -1.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0925 1.9830 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9447 0.3692 -0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0567 0.7183 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 -0.8167 0.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 0.1267 1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9712 0.9945 1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7847 1.3311 0.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0GM2D -OEChem-05082103043D 4 3 0 0 0 0 0 0 0999 V2000 0.6123 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6123 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.2426 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.2424 0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ E0GT5A -OEChem-05082103153D 18 18 0 0 0 0 0 0 0999 V2000 0.4839 -1.5496 0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1843 2.1137 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 1.2185 -0.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2592 0.0550 0.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8023 -0.1975 0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 0.7745 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0259 0.1736 -0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 0.3832 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -1.0603 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8213 -1.9112 -0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4238 0.9473 1.1124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6777 -0.7733 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0910 0.3276 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6708 1.0207 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9261 -0.7343 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8549 -1.3896 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 -2.9857 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1454 2.2305 0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 2 6 1 0 0 0 0 2 18 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 6 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0H0KW -OEChem-05082103043D 2 1 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -0.2053 -1.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 M END $$$$ E0H0OT -OEChem-05082103093D 13 12 0 0 0 0 0 0 0999 V2000 0.0000 0.6787 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 -1.2445 -0.0013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 -1.2445 0.0015 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1687 -0.0287 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1687 -0.0287 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 0.9339 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3196 0.9338 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 0.3751 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 1.5467 0.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2803 1.5623 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2815 1.5598 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2599 0.3750 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 1.5490 -0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0H2SC -OEChem-05082103053D 3 2 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2774 0.8929 0.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 -0.2383 -0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 M END $$$$ E0HP7B -OEChem-05082103143D 47 46 0 0 0 0 0 0 0999 V2000 6.0660 0.9480 1.1795 O 0 5 0 0 0 0 0 0 0 0 0 0 6.1016 0.1195 0.0791 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0233 0.2144 -0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -0.6332 -0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2606 -0.6181 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6202 0.1423 -0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5011 0.2781 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8757 -0.7114 0.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8176 -0.5041 -0.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 0.3925 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 -0.4388 -0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5807 0.4557 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2090 0.9734 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3266 -0.7559 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8645 -0.3736 0.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0972 0.5113 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0597 0.8683 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0045 0.8692 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2883 -1.3322 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2749 -1.2487 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 -1.2246 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 -1.3107 0.7223 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6013 0.8772 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6213 0.7179 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4668 0.8982 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4821 0.9647 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9687 -1.3822 -0.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8679 -1.3082 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -1.1395 -0.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8402 -1.1764 0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0662 1.0295 -0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0115 1.0565 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3972 -1.0869 -0.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 -1.0926 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5328 1.0866 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5943 1.1268 -0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4568 1.7635 -1.1132 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2028 1.4313 -1.1551 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0829 0.3296 -2.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2247 -1.3621 1.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3692 -1.3792 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1992 -0.1013 0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9291 -0.9859 -0.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8492 -1.0598 0.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0791 1.1123 1.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0037 -0.1019 0.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1598 1.1901 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 M CHG 2 1 -1 2 1 M END $$$$ E0I3RQ -OEChem-05082103073D 17 16 0 1 0 0 0 0 0999 V2000 -1.7106 -1.1847 0.3581 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9758 -1.6811 0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0214 0.1505 -0.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4053 1.8669 0.5743 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 0.1880 0.2043 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0664 0.4488 0.7285 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5255 0.5514 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1216 -0.3398 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1453 0.1699 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 0.7709 0.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3273 1.6097 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5518 0.3376 -1.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8762 -0.0531 -1.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3076 2.0515 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2745 2.4357 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 -1.4093 1.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6641 -2.1843 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 16 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 8 2 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 M END $$$$ E0I4EJ -OEChem-05082103273D 47 49 0 1 0 0 0 0 0999 V2000 1.5771 1.7039 0.6395 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 -0.2458 -1.5605 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 1.2430 -0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5145 0.0984 2.2992 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6591 1.6319 1.0671 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 4.6697 -0.5235 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3946 0.1687 -0.6768 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 -0.3520 0.4768 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 2.4739 -0.6013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 3.1865 0.2663 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9687 0.5944 -0.1701 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9205 0.4004 -1.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3813 0.8488 -0.7328 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4430 1.0385 0.3673 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7744 -1.1628 -0.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 1.2169 -0.3852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 -1.3962 0.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0439 -2.2771 -0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 0.8705 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 -0.1709 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3785 -3.5763 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4555 -2.7049 0.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 -3.7907 0.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5852 1.9285 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -4.7204 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1039 -5.1680 0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8857 3.4912 -0.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -0.3016 0.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 1.3221 -1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 -0.3658 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3733 1.7451 -1.3654 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2237 1.9412 0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0369 -2.1606 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 -0.3935 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8737 -1.0631 0.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4369 -2.8635 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7995 1.4293 1.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6643 -0.0534 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3691 1.3538 0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -4.3846 -1.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -5.2658 0.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -5.4054 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -5.1583 0.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1525 -5.7832 -0.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4395 -5.6435 1.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7395 3.9683 0.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2118 0.8746 2.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 37 1 0 0 0 0 2 13 1 0 0 0 0 2 38 1 0 0 0 0 3 14 1 0 0 0 0 3 39 1 0 0 0 0 4 20 1 0 0 0 0 4 47 1 0 0 0 0 5 24 2 0 0 0 0 6 27 2 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 19 2 0 0 0 0 9 16 2 0 0 0 0 9 27 1 0 0 0 0 10 24 1 0 0 0 0 10 27 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 18 33 1 0 0 0 0 19 24 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END $$$$ E0I5TO -OEChem-05082103213D 20 20 0 0 0 0 0 0 0999 V2000 1.0591 -0.3353 0.2678 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8513 -0.4617 0.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8807 0.7397 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -0.1801 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2144 0.1833 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8516 1.0939 0.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1034 -1.2950 -0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2316 1.2530 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4835 -1.1359 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0476 0.1381 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4313 1.2664 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0307 1.4353 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 0.9738 -1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0738 -0.5669 -1.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.9847 0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6697 -2.2899 -0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6722 2.2441 0.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1188 -2.0040 -0.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1223 0.2619 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9963 0.2078 1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0I5ZK -OEChem-05082103203D 38 39 0 0 0 0 0 0 0999 V2000 5.2385 -0.8692 -0.2814 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 1.8734 -0.4124 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -3.3172 0.5885 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 -1.8164 1.2378 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7781 1.6496 -1.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 2.7637 -0.9704 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 0.0393 -0.1811 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8785 2.3666 1.1845 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7949 0.2831 -0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -0.9394 0.3034 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6033 -0.3392 -1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3263 1.1391 0.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 0.3161 -0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 0.2777 0.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6832 -0.9577 0.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -2.1181 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5253 -0.8628 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9773 -0.0994 -1.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7003 1.3788 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8869 -2.0798 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5260 0.7596 -0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0457 -1.2645 -2.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 1.8168 1.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9157 0.5503 -0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 1.2072 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6355 -0.5740 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1447 2.0443 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4646 -3.0005 0.2172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5959 0.9459 -0.1286 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2721 -0.7620 -2.7285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 -2.1536 -1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8155 -1.6048 -2.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0279 1.0792 2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6676 2.3844 1.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0405 2.5250 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 2.3749 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 3.1339 1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5724 -4.0189 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 3 16 1 0 0 0 0 3 38 1 0 0 0 0 4 15 2 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 19 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 14 25 1 0 0 0 0 16 20 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 26 1 0 0 0 0 19 21 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 22 32 1 0 0 0 0 23 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$ E0IS1Z -OEChem-05082103053D 16 16 0 0 0 0 0 0 0999 V2000 -2.7950 0.9134 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9461 -0.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6826 -0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6821 -1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.5178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6144 -0.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6493 -1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1827 1.5553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.2668 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0247 -2.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 -1.9172 0.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 -1.9171 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1383 -2.9174 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5032 2.5941 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9035 2.0793 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0649 -1.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 7 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 M END $$$$ E0J0LX -OEChem-05082103213D 40 40 0 0 0 0 0 0 0999 V2000 0.0079 -1.9528 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5157 -0.6433 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 -0.5969 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.1195 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 0.1198 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0047 -0.5887 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2319 1.4923 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 1.5146 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6879 0.3616 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6068 -1.5297 1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7079 -1.5687 -1.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5070 -1.9923 0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 -0.8662 -1.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6063 0.2376 0.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0305 2.2009 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 3.6922 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 2.0904 -0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 2.1046 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 0.9835 -0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 0.9949 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6437 -0.1797 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 -2.3824 1.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -1.9476 1.3668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.9472 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0011 -2.4024 -1.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5837 -1.0072 -2.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7124 -2.0084 -1.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 -2.3099 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9732 -1.9611 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -2.8008 0.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1163 0.0724 -2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9714 -1.3768 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -1.4879 -2.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5299 -0.3429 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 1.1317 0.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2837 0.5402 1.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 4.0777 0.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1445 4.0662 -1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 4.1009 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3642 -2.2241 -0.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 40 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 8 2 0 0 0 0 7 15 2 0 0 0 0 7 17 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 M END $$$$ E0JB3K -OEChem-05082103053D 15 14 0 0 0 0 0 0 0999 V2000 0.4050 1.3855 1.6974 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 -2.2559 -0.3107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5172 0.4205 -0.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1309 -0.3082 0.3605 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4506 1.1254 -1.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2449 0.3338 -0.2208 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2008 0.1156 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3744 -1.3157 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 0.4991 -0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2994 -1.5592 1.5657 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -1.4735 1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 -0.1691 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 1.5226 -1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 -2.2108 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.0129 0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 M CHG 2 4 -1 6 1 M END $$$$ E0JD3S -OEChem-05082103313D 96 97 0 0 0 0 0 0 0999 V2000 -12.8901 -0.8145 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8997 0.4410 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2559 -0.0801 -0.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9687 -0.5754 1.1283 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1325 1.4021 -0.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2584 -1.6458 0.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7656 -0.0110 0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7051 -0.2704 -0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1937 2.0628 0.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9914 -2.4292 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9254 1.2838 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7507 -1.5779 -0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5294 -1.0270 -1.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1074 -2.1999 0.1487 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5556 1.4186 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4673 1.2391 1.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5162 -0.7258 0.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5386 0.5604 -0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9033 2.1251 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6162 -2.3640 -1.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3101 -0.1674 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2794 0.1212 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0143 -0.8203 0.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0576 0.8903 -0.3702 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0214 -2.2597 0.8498 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2067 2.3079 -0.8682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8238 -0.2163 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 0.3903 -0.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4906 -0.7696 0.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5378 1.0456 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3789 -0.0528 0.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3476 0.4561 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9988 -0.5222 0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0244 1.0661 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7772 -1.9381 0.6986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9783 2.4996 -0.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9244 0.2540 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9379 0.3050 -0.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5200 -0.0913 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 0.6895 -0.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9809 -0.5336 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6780 -0.1942 0.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9007 -0.0578 1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6261 -1.0679 2.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1180 1.8792 -0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7657 1.5561 -1.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0309 -2.3289 0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6555 -1.1947 -0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9377 3.0589 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7245 2.2123 1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1799 -3.0184 -1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7999 -3.1441 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3418 -1.5315 -2.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6340 -1.6498 -2.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3301 -0.0788 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2784 -2.8883 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0093 -2.6823 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2289 -2.1122 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8973 2.2601 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8132 0.9231 -1.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4766 1.8465 0.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3367 1.6674 2.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9395 0.5977 2.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8023 2.0723 1.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5940 -1.7437 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 1.5667 -0.6416 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4085 2.7969 1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3430 2.7487 0.5854 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2131 1.5415 1.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0172 -2.8518 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0083 -3.1587 -1.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9808 -1.7688 -1.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2338 0.8426 -0.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0889 -0.8649 0.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0523 -2.7392 0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5673 -2.8803 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5251 -2.3381 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7409 2.9103 -0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2876 2.8471 -1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7877 2.3189 -1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8440 0.8237 -0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7362 -0.6420 0.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3867 -1.7974 0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5437 2.0792 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4832 0.9825 -0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 -0.5839 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -2.0922 1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2048 -2.6440 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7457 -2.2497 0.8542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4831 3.1529 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9677 2.8941 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4696 2.6034 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1061 1.2785 -0.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0859 -0.7259 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2764 -1.1040 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3341 1.7091 -0.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 5 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 4 6 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 9 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 10 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 11 2 0 0 0 0 7 17 1 0 0 0 0 8 12 2 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 12 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 53 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 56 1 0 0 0 0 14 57 1 0 0 0 0 14 58 1 0 0 0 0 15 59 1 0 0 0 0 15 60 1 0 0 0 0 15 61 1 0 0 0 0 16 62 1 0 0 0 0 16 63 1 0 0 0 0 16 64 1 0 0 0 0 17 21 2 0 0 0 0 17 65 1 0 0 0 0 18 22 2 0 0 0 0 18 66 1 0 0 0 0 19 67 1 0 0 0 0 19 68 1 0 0 0 0 19 69 1 0 0 0 0 20 70 1 0 0 0 0 20 71 1 0 0 0 0 20 72 1 0 0 0 0 21 23 1 0 0 0 0 21 73 1 0 0 0 0 22 24 1 0 0 0 0 22 74 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 75 1 0 0 0 0 25 76 1 0 0 0 0 25 77 1 0 0 0 0 26 78 1 0 0 0 0 26 79 1 0 0 0 0 26 80 1 0 0 0 0 27 29 1 0 0 0 0 27 81 1 0 0 0 0 28 30 1 0 0 0 0 28 82 1 0 0 0 0 29 31 2 0 0 0 0 29 83 1 0 0 0 0 30 32 2 0 0 0 0 30 84 1 0 0 0 0 31 33 1 0 0 0 0 31 85 1 0 0 0 0 32 34 1 0 0 0 0 32 86 1 0 0 0 0 33 35 1 0 0 0 0 33 37 2 0 0 0 0 34 36 1 0 0 0 0 34 38 2 0 0 0 0 35 87 1 0 0 0 0 35 88 1 0 0 0 0 35 89 1 0 0 0 0 36 90 1 0 0 0 0 36 91 1 0 0 0 0 36 92 1 0 0 0 0 37 39 1 0 0 0 0 37 93 1 0 0 0 0 38 40 1 0 0 0 0 38 94 1 0 0 0 0 39 40 2 0 0 0 0 39 95 1 0 0 0 0 40 96 1 0 0 0 0 M END $$$$ E0JP9O -OEChem-05082103043D 26 25 0 0 0 0 0 0 0999 V2000 -4.5241 -0.7597 0.0159 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5648 1.2985 -0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6469 0.3982 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3981 -0.4883 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9560 -0.3937 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9435 0.2500 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 0.5396 0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -0.6848 0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 -0.2401 0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 0.0804 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 1.0598 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6076 1.0441 0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4377 -1.1299 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 -1.1605 0.8338 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -1.0557 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0028 -1.0320 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9769 0.9168 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 0.8962 -0.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 1.2172 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1365 1.1605 0.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1189 -1.3020 0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 -1.3377 -0.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5488 -0.9066 0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3243 0.4462 0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5485 -0.8458 -0.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3741 -0.2699 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 26 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 M END $$$$ E0JV1G -OEChem-05082103413D 20 20 0 1 0 0 0 0 0999 V2000 0.2210 -1.1668 0.5972 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 1.4576 0.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 2.3575 0.0977 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6610 -0.8212 -0.7136 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0443 0.6692 -0.6707 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -2.1034 -0.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3149 0.1702 0.6697 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5740 0.2366 -0.1798 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7968 0.9978 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5173 -0.9196 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 0.2587 -0.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 -1.1365 0.0894 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5232 0.4059 1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3358 0.2303 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0512 -1.8916 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8655 -0.8749 1.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 1.4711 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1616 2.6124 0.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 -1.5648 -0.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5884 -0.1261 -0.8053 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0JW9W -OEChem-05082103053D 29 30 0 0 0 0 0 0 0999 V2000 -0.0266 -1.1890 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8182 1.1397 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2002 -0.4308 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2129 -0.3664 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 1.4396 1.2312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0586 1.4400 -1.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2279 0.4485 1.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 0.4490 -1.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3555 -1.4263 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 -0.7526 1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 -0.7519 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7032 1.7855 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5204 1.3788 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4423 2.4665 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4421 2.4670 -1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5205 1.3797 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1763 0.9921 1.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -0.1782 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1319 -0.1775 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1762 0.9926 -1.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3255 -0.9190 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -2.0809 0.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3054 -2.0806 -0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9293 -0.1279 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3523 -1.8011 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4488 -0.6753 2.1592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9289 -0.1269 -1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4484 -0.6745 -2.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3524 -1.8003 -1.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 12 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 M END $$$$ E0JZ8Z -OEChem-05082103073D 11 10 0 0 0 0 0 0 0999 V2000 0.0000 -0.5689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 0.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2183 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2183 -0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 0.9244 0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2967 0.9245 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 -0.3520 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 -0.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.9245 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.9245 -0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 M END $$$$ E0K0OU -OEChem-05082103083D 39 38 0 0 0 0 0 0 0999 V2000 0.3720 -0.7968 -1.3431 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 2.1888 0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7938 -0.0379 0.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2953 -1.9436 -0.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0417 1.3644 -1.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 -1.6843 0.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9535 -0.0478 0.8841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1612 0.0796 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5255 0.5745 0.2711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6206 -0.6912 0.8383 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 1.2668 -0.7711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5536 -0.5299 0.3672 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0909 -0.8284 0.5026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5805 3.3514 -0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 -0.9836 0.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6544 -2.1988 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7107 4.2657 1.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1648 -0.2862 -0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 -3.0627 0.4401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4469 1.0691 1.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 1.3151 -0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -0.1756 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2184 -1.6977 1.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 -1.1463 -1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0556 3.8731 -0.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 3.0513 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -1.7991 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 -1.3904 1.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -2.7358 -1.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -1.2712 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 3.7511 1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7227 4.5594 1.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2752 5.1670 0.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1213 0.1418 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 0.5436 0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0069 -0.9819 -0.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -3.9857 0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3219 -2.5464 1.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3234 -3.3234 0.1598 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 24 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 M END $$$$ E0K2KU -OEChem-05082103093D 24 25 0 1 0 0 0 0 0999 V2000 3.0279 -1.1629 1.2097 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6981 0.2247 -0.7144 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7482 1.7181 0.8296 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8432 -0.1334 -1.3203 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1790 2.1104 -0.6183 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3472 -2.4390 0.1217 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.1546 -0.4315 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 0.5631 0.8332 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5060 -0.9485 0.6010 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6796 1.3603 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -1.3580 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3352 0.9790 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1222 -1.3103 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7359 0.8006 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6688 -0.4098 -0.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 0.1604 0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 0.7377 1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -1.4606 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 2.3984 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1004 1.3963 1.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9384 -2.3393 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 -1.5022 -1.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6091 1.4193 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4821 -0.7347 -1.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 4 7 1 0 0 0 0 4 16 1 0 0 0 0 5 12 2 0 0 0 0 6 13 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 15 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 M END $$$$ E0K7ZB -OEChem-05082103053D 6 5 0 0 0 0 0 0 0999 V2000 -0.0897 -0.0002 0.4756 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7641 -1.2121 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7618 1.2135 -0.1456 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4361 -0.0012 -0.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1747 -1.9724 -0.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1709 1.9727 -0.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 M END $$$$ E0K9AR -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 0.0003 -1.3171 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0872 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 0.7024 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2813 0.7019 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3279 1.3235 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 1.3282 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1351 0.0196 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 0.0187 0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 1.3230 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3266 1.3278 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0KP0P -OEChem-05082103083D 25 25 0 0 0 0 0 0 0999 V2000 -1.7020 -0.1684 0.0025 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1051 2.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5323 -0.9160 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9401 -1.0423 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0821 0.2137 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 0.3953 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4222 -0.7138 -0.0091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7859 0.8543 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.3210 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8741 -0.9712 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 0.8803 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 -1.4118 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2410 -0.4861 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6876 -1.6612 -0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7009 -1.6495 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2904 0.8118 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2899 0.8140 0.8966 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6884 -0.1405 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0147 -1.6340 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7024 -0.1274 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4424 2.3902 -0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 -1.7240 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7649 1.6115 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4099 -2.4775 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1219 -0.1425 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 8 2 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 10 12 2 0 0 0 0 10 22 1 0 0 0 0 11 13 2 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 M END $$$$ E0KP1P -OEChem-05082103073D 6 5 0 0 0 0 0 0 0999 V2000 -0.6672 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2213 -0.9290 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2212 0.9290 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 0.9290 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2213 -0.9290 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 M END $$$$ E0KR6X -OEChem-05082103263D 20 20 0 1 0 0 0 0 0999 V2000 -1.4755 1.1745 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5061 -2.3533 -0.0474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 2.3482 -0.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2757 0.0169 -1.3161 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6271 0.0009 0.4401 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0833 -1.2847 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1203 1.2665 0.0943 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 0.0166 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -1.2478 0.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1584 -0.0578 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 0.0326 0.8969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 0.0874 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6970 0.0047 1.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 -2.1850 -0.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0774 0.9300 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 -0.8634 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 0.0430 0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0106 0.6355 0.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 -0.8816 -0.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9298 0.6423 -0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 6 2 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0KW7B -OEChem-05082103063D 33 32 0 0 0 0 0 0 0999 V2000 6.2965 -0.8123 -0.1023 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3360 1.2443 0.0132 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1663 0.4194 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1682 -0.3272 0.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.5103 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3856 0.6022 0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7220 -0.1462 0.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 0.2376 0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9003 0.8283 -0.0754 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9161 -0.7102 0.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2776 0.2238 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2325 0.0251 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5968 -1.0746 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 1.0042 -0.9169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2236 1.1356 0.8394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -1.0367 -0.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.9197 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3396 -1.1088 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -1.2140 -0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3495 1.2828 0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 1.2259 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7493 0.8726 -0.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 0.9116 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7391 -0.8516 -0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -0.7323 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 1.4081 -1.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8478 1.5466 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 -1.3378 0.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -1.3550 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0977 0.9382 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6382 -1.3791 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8482 -1.8564 0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1465 -0.3232 -0.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 33 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 2 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END $$$$ E0L3OO -OEChem-05082103133D 48 47 0 1 0 0 0 0 0999 V2000 -4.9116 0.2149 -0.2154 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8299 -1.7568 0.2968 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1099 1.6795 0.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5018 0.3617 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 -0.4560 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2499 -0.4752 0.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0617 0.3570 -0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3698 -0.3840 0.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 0.3305 -0.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 0.4998 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -0.5198 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9230 -0.2639 0.2096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5679 0.2499 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1648 0.6004 0.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -0.5771 -0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1757 -0.4237 -0.0084 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2873 0.5877 -0.2571 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6599 -0.0249 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 0.7321 -1.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5055 1.2384 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7933 -1.3053 -0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 -0.8765 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2596 -0.8262 1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 -1.3644 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 0.7419 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 1.2354 0.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 -0.7963 1.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4567 -1.2368 -0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0462 1.2093 0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0266 0.6968 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5502 1.3204 0.7232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6254 0.9584 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2814 -0.8805 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2420 -1.4111 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9239 -0.7102 1.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9797 -1.0921 -0.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 0.5940 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6166 1.1228 0.4112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1620 1.4196 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2173 1.0318 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0671 0.0030 0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2735 -1.2735 -0.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2153 -0.7801 1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2085 0.9881 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7674 -0.3649 1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4453 0.7196 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8357 -0.8727 -0.6919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8154 2.3245 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 15 2 0 0 0 0 3 17 1 0 0 0 0 3 48 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 M END $$$$ E0L5MU -OEChem-05082103053D 29 29 0 0 0 0 0 0 0999 V2000 0.0023 3.1550 0.9583 I 0 0 0 0 0 0 0 0 0 0 0 0 3.0537 -2.0605 0.0814 I 0 0 0 0 0 0 0 0 0 0 0 0 -3.0553 -2.0567 0.0805 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -3.4351 -1.4269 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0031 -4.0056 0.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 1.7071 -1.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8978 1.7096 -1.6112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4213 1.0595 0.6027 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 1.0568 0.6021 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 0.3667 0.4875 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2085 0.3653 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 1.0538 0.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0008 -1.6977 0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2077 -1.0105 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -1.0092 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -3.1410 -0.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1633 1.6651 -0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1652 1.6618 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4160 2.3099 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 2.3054 0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 1.2139 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 0.9993 1.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9898 1.5856 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 2.6627 -0.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 3.1604 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 2.9674 0.9579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 2.8951 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 1.5302 0.4613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0026 -4.4029 -1.5869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 4 16 1 0 0 0 0 4 29 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 22 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 M END $$$$ E0L9VB -OEChem-05082103123D 30 30 0 1 0 0 0 0 0999 V2000 1.8560 -0.6974 -0.1003 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7805 -1.8995 0.2412 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5532 0.6701 -0.4092 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2237 1.0563 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7224 1.4493 0.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9225 0.2185 -0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.5881 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8754 0.5005 -0.0752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3965 -0.2783 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2087 -0.8367 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7517 0.0349 0.3927 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8921 -0.8057 -0.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 0.7642 -1.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 2.1207 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2624 0.9014 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6001 1.6219 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8615 2.4203 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9889 0.3696 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7261 -0.8475 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 1.6457 0.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 0.4579 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6543 0.6291 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2912 0.5960 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -1.3364 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 -0.1397 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -0.1226 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9883 1.0946 0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8335 -0.5401 0.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -1.8715 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0105 -0.6433 -1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 M END $$$$ E0LJ1H -OEChem-05082103073D 23 23 0 1 0 0 0 0 0999 V2000 -1.5606 -1.5480 -1.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -1.0236 0.4554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 1.6326 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 0.9812 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.7241 -0.2957 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7593 0.4612 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -0.8355 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.2913 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -0.6859 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -1.3157 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 0.8109 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 -0.4925 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.5378 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 2.0589 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 0.8943 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 -1.4840 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 2.3068 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 2.5968 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 1.5450 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -2.3305 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 1.4516 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 -0.8665 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -2.4531 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0LN0E -OEChem-05082103073D 9 8 0 0 0 0 0 0 0999 V2000 1.4415 -0.2624 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 0.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2995 -0.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 1.2622 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1882 1.2622 -0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 -0.9984 -0.8892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2851 -0.9984 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 0.8269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0LQ1C -OEChem-05082103263D 45 45 0 0 0 0 0 0 0999 V2000 2.2652 -0.9058 -0.2132 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7387 0.2023 1.7566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6512 0.9731 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 -0.2255 1.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7681 1.9630 0.9501 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4319 -1.4711 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3233 3.1685 0.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 -2.0247 -0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 2.8514 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0115 -2.2918 -0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 1.8574 -1.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0488 -2.7206 -1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 2.3530 -0.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.1555 -0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8842 1.3691 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0175 -2.1159 0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6325 0.1730 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5627 1.4725 -0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1193 0.6357 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2069 -0.4826 1.7407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8659 0.0633 1.7113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8803 1.4438 1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3115 2.3290 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7067 -2.2597 0.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3357 -1.2486 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 3.7866 0.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 3.7921 -0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7388 -2.9608 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2284 -1.3400 -1.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 3.7930 -1.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 2.4631 -1.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6604 -1.3845 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1325 -3.0656 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8754 1.6739 -2.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 0.8923 -0.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 -3.5574 -1.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2355 -1.8963 -1.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 2.5298 0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 3.3136 -0.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -4.0777 0.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -3.3963 -1.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7931 1.8555 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1124 1.0430 -1.3696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3776 -1.9137 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -2.5016 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 16 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 M END $$$$ E0LR5E -OEChem-05082103073D 19 18 0 0 0 0 0 0 0999 V2000 -2.4461 0.3527 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.1555 0.0907 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4391 0.3839 0.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 1.3581 -1.0446 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 0.2759 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 0.4160 0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0035 -1.0600 -0.8172 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2498 0.4289 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 1.3690 1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3004 -0.3843 1.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -1.1610 -1.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 -1.1451 -1.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3051 -0.3560 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 1.3913 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 1.3228 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 2.2620 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3919 1.0543 -0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 -2.9684 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 -0.5378 -0.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 17 1 0 0 0 0 2 7 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0LT2O -OEChem-05082103143D 81 82 0 1 0 0 0 0 0999 V2000 0.7439 -1.3977 -0.1232 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3183 1.4276 -1.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 -2.3982 0.9123 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6874 -2.5672 1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -1.9523 2.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 -2.5615 0.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1405 -2.6928 -0.4929 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0989 -2.7639 0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0429 -1.6226 1.6984 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1332 -1.3155 -1.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -3.7271 0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0372 -0.7796 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 -0.1428 -0.2451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9105 -0.7238 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4293 1.2220 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6441 2.4603 -0.0469 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8732 -3.8345 -1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6255 2.5062 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1850 -0.0589 0.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 0.0704 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1483 2.5701 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0658 0.7930 -1.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 3.7209 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1977 0.7256 -1.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1393 2.5588 1.8561 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3455 2.5408 1.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4159 -0.1114 0.9522 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7053 0.1538 -2.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0817 1.6448 -3.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2834 2.4710 2.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 3.7844 0.6131 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8061 -3.4779 1.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9685 -1.7257 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 -2.7160 2.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -1.0446 2.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -3.3490 -0.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 -1.6035 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1319 -2.8536 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3472 -2.0402 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1764 -3.7475 1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -2.5429 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5216 -1.0968 2.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9064 -1.3241 -1.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1865 -1.1488 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 -4.5402 1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6638 -4.0136 -0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2816 -3.6587 -0.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6454 -0.1245 0.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3791 -0.2983 0.2588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4951 1.3333 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2274 1.2066 -1.7028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6488 2.4037 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 -3.6754 -2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 -3.9064 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 -4.7981 -0.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 3.3902 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7818 1.6500 1.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9107 1.7245 0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9978 3.4798 0.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 3.7245 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6722 4.6223 -0.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6221 3.7871 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3301 3.4275 2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 1.6725 2.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 1.6547 0.8268 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 -1.1416 1.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3076 0.2617 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 0.4922 1.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4229 1.1985 -2.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1785 -0.3167 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8863 -0.3435 -3.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 2.6994 -2.8179 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 1.5140 -3.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 1.4000 -3.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1648 3.3469 3.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 2.4224 2.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 1.5776 3.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3942 4.7036 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 3.7706 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 3.8311 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1056 2.1425 -2.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 1 0 0 0 0 19 27 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 2 0 0 0 0 22 29 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 M END $$$$ E0M1JK -OEChem-05082103053D 13 12 0 1 0 0 0 0 0999 V2000 -0.4721 -1.3536 -0.1558 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 0.0013 0.1076 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4535 -0.0168 0.3428 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7489 0.7009 -0.2569 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 0.6681 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 -0.0765 1.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7012 0.7211 -1.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 1.7275 0.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6111 0.1308 0.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 1.7013 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8983 0.6691 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2339 -1.8054 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 -0.9097 -0.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 12 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 M END $$$$ E0M1QY -OEChem-05082103053D 24 25 0 0 0 0 0 0 0999 V2000 0.4700 2.5688 0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1271 -0.4436 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 -1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2182 0.1412 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 1.0797 -0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 -1.9372 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8579 0.2592 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 -1.0264 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0307 1.4220 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9061 -0.2495 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 -1.1998 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -2.6960 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1926 1.2061 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2969 2.1881 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -1.5787 0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0451 -3.1973 -0.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5186 -2.7596 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0447 -3.1963 0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 0.7801 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0468 1.8092 -0.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0466 1.8083 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8087 3.1651 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9322 2.1027 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9346 2.1021 -0.8849 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0M2LZ -OEChem-05082103063D 16 15 0 1 0 0 0 0 0999 V2000 0.8765 -1.7477 0.4612 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5468 0.2085 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -0.5891 -1.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8021 -0.7792 0.8987 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 1.6788 0.4055 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7272 0.6375 0.5499 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5957 1.1159 -0.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 -0.5980 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6864 0.0732 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6051 0.4158 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4391 1.3530 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9553 2.0203 0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 1.3992 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4247 2.5341 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2403 -2.5417 0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2665 -0.4573 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 3 8 2 0 0 0 0 4 9 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0M7DO -OEChem-05082103233D 47 47 0 1 0 0 0 0 0999 V2000 5.0772 0.8786 -0.0199 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4797 -0.2806 1.8980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5839 1.1994 -1.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3083 -1.2896 -1.2519 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5405 -1.1700 0.6528 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7116 -0.6980 -0.0206 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8116 -0.5048 0.3874 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 2.7441 0.2838 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 -0.1690 0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 -0.7235 -0.2622 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 1.2832 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0016 -1.8351 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0626 -1.0424 -1.7289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7782 1.6992 -1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 2.3711 1.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5525 -0.7040 0.7461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6444 -1.2508 -0.0197 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8218 -2.7388 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1877 0.6778 -0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 1.2939 0.3946 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7146 0.8765 -0.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9166 -0.6172 -0.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 -0.3138 1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 -2.0141 -0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1799 -1.6243 1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4386 -2.7747 0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0188 -1.3699 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 -1.8842 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 -0.2359 -2.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5592 2.0973 -1.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2246 0.9281 -1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0449 2.5114 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 3.3336 0.7408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 2.5145 1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 2.1309 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 -1.0743 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4972 -1.0900 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 -2.9421 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6935 -3.1272 -0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0611 -3.3000 -0.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3302 -0.8295 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4926 1.0237 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6925 1.1566 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5963 1.3637 0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4064 3.0327 0.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1966 3.0170 -0.6953 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4327 -2.2594 -1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 16 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 47 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 36 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 20 1 0 0 0 0 8 45 1 0 0 0 0 8 46 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 M END $$$$ E0ME2Y -OEChem-05082103093D 23 22 0 0 0 0 0 0 0999 V2000 -1.1883 -0.3837 -0.0146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3787 0.3044 -0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7545 0.3163 0.0233 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0128 0.4141 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 -0.4942 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3627 0.4188 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 -0.4967 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5801 -0.4856 -0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7664 0.4066 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 1.0589 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 1.0636 0.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 -1.1536 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 -1.1286 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3734 1.0548 0.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3811 1.0770 -0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5594 -1.1076 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 -1.1585 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5806 -1.1627 0.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6004 -1.1045 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6896 -0.1790 0.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7682 1.0336 -0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7556 1.0835 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 0.8308 0.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 M END $$$$ E0MF5O -OEChem-05082103103D 15 14 0 0 0 0 0 0 0999 V2000 0.6791 -0.4358 -0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 1.4510 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8550 0.3805 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 -0.5142 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5015 0.2398 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5893 -0.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8645 -0.3613 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8602 1.0145 -0.8932 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8594 1.0130 0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 0.0783 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -1.1673 0.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -1.1659 -0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3386 -1.8149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6629 -1.0960 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1482 0.6854 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0MH5E -OEChem-05082103253D 38 39 0 1 0 0 0 0 0999 V2000 -3.9269 0.7056 2.6573 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7028 1.5913 -0.7547 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3768 -1.0751 -1.6998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 -3.8283 -0.5842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7907 3.1893 -0.1274 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5865 1.4866 0.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 -0.4513 0.3726 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9538 -1.2259 -0.0681 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5507 -0.7696 0.9286 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 1.9849 0.2018 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3217 -1.8433 0.3045 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3841 -1.0863 -0.4714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4017 0.3401 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.3175 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7655 -0.1900 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8352 1.1549 0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 0.9153 0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.5182 -1.3488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4563 -4.1516 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9079 -0.9864 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0535 1.7064 -0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3055 1.6884 0.5689 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7423 1.2913 -1.7467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1262 -0.4348 0.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 1.8764 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 0.9116 -0.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4964 -1.7846 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -0.5500 1.3765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0706 0.1053 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -4.0509 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -3.8303 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -5.2038 0.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8618 -2.0363 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 2.7534 -0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 2.1509 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9494 1.4383 -2.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0107 -1.0661 0.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4187 2.4780 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 26 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 27 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 26 2 0 0 0 0 21 34 1 0 0 0 0 22 25 1 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M CHG 2 5 -1 10 1 M END $$$$ E0MU5Y -OEChem-05082103163D 33 33 0 0 0 0 0 0 0999 V2000 -4.1444 -0.2686 -0.0639 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0081 -1.0395 0.1025 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6669 -1.6675 0.5924 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2149 -0.3762 -1.5097 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7603 0.8378 0.6459 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 0.6096 0.2573 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6178 0.3666 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -0.6616 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 1.7407 -0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8307 -0.7651 0.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0235 1.6378 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6139 0.7079 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0086 0.2685 0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4567 -0.3962 0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -0.9941 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3118 -0.7746 -1.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 -1.5183 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 2.6818 0.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5227 1.7867 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8762 -0.8198 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1928 -1.7180 -0.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5803 2.4753 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0771 1.7445 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6858 0.6764 -1.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 1.6754 0.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0944 0.2883 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 1.1319 -0.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4305 -0.3610 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1464 -1.3891 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6430 -1.0048 -1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -1.9101 0.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4034 -1.8446 -0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3706 -2.4885 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 M END $$$$ E0N1TT -OEChem-05082103063D 36 35 0 0 0 0 0 0 0999 V2000 4.3006 -2.5693 -1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7892 2.2945 2.5269 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2591 -2.6115 0.9969 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8314 2.2980 -2.5113 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 -0.5503 -1.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 2.4467 0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -0.5906 1.8441 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 2.4427 -0.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 -0.2550 0.1985 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8527 -0.2518 -0.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4559 -0.2596 0.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 -0.2292 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2848 -1.6020 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 0.2674 1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2591 -1.6090 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7117 0.2645 -1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 -1.4924 -1.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5818 1.7658 1.2941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 -1.5237 1.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 1.7648 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2592 -1.1120 1.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 0.6363 1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2231 0.6954 -1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2479 -1.0501 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.1457 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5330 -2.2060 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 0.0588 1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 -0.1544 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -2.1524 0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5024 -2.2069 -0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7701 0.0375 -1.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4321 -0.1463 -2.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0633 -2.4899 -1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7226 3.2732 2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0215 -2.5478 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7803 3.2776 -2.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 34 1 0 0 0 0 3 19 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 20 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 18 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 19 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$ E0N2PK -OEChem-05082103053D 12 11 0 0 0 0 0 0 0999 V2000 -0.0004 1.3572 -0.1242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0177 0.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 -0.6878 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2603 -0.6871 -0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0646 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3079 -1.7139 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1507 -0.1484 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -0.7138 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 -1.7132 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 -0.1471 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3066 -0.7131 -1.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 1.3242 -1.0961 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 12 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 M END $$$$ E0N2RU -OEChem-05082103083D 25 25 0 0 0 0 0 0 0999 V2000 -0.4292 2.3458 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 0.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 -0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7641 -0.5675 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7643 -0.5674 -1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 1.1093 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0435 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1358 -0.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5336 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3473 -1.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6226 -0.3719 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 1.0979 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -1.6482 1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 -0.4017 1.2722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3455 -0.1167 2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3483 -0.1132 -2.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8475 -0.4038 -1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5917 -1.6475 -1.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6363 -2.2100 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.9020 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8047 -2.3930 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0835 0.4669 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9984 -0.3845 1.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9485 -1.2884 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1636 2.3514 -0.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 M END $$$$ E0N6BJ -OEChem-05082103083D 30 30 0 0 0 0 0 0 0999 V2000 -2.0629 -0.8513 -0.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3748 -0.6827 -0.1692 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0404 -0.3295 1.7496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.2814 1.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 0.9749 0.1993 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5996 0.7967 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 2.2091 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4291 1.8527 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 -0.1087 0.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2078 -0.4802 0.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5070 3.2650 -0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8759 3.0869 -0.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9459 -1.9491 -0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -1.9081 0.0892 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2582 -2.6445 -1.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -1.9498 -0.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4130 2.3604 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5111 1.7524 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 4.2261 -0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5217 3.9103 -0.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4628 -2.6516 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.5746 0.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3306 -1.9604 1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.7536 -0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 -3.0072 -2.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 -3.4910 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -1.9480 -2.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8824 -2.8752 -0.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0795 -1.8791 -1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9741 -1.0984 -0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 12 1 0 0 0 0 8 18 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$ E0NF3V -OEChem-05082103063D 14 13 0 1 0 0 0 0 0999 V2000 1.9164 1.0306 -0.2064 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 1.4730 0.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6876 0.0439 -0.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.9614 0.3145 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2499 -0.5719 0.4674 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5043 -0.3229 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.3087 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4351 -0.3707 1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3293 -0.9735 -0.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -0.4858 -1.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3831 -2.1614 -0.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0421 -2.1182 0.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1022 1.1706 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6432 2.0607 0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0NG2J -OEChem-05082103143D 31 31 0 1 0 0 0 0 0999 V2000 0.4167 2.3656 0.4212 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7056 -0.0351 0.4283 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0704 1.1567 -0.1560 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1195 -1.3636 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1491 -0.2825 -0.3743 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5705 1.0447 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3769 -1.4666 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1959 0.0476 0.0872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6356 -0.3844 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.0757 0.7771 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 -0.0067 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6107 0.0011 1.5233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 1.2366 -1.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6057 -2.2170 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2458 -1.4865 -1.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -0.3149 -1.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0912 1.8891 -0.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7507 1.1543 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -2.4073 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -1.5097 1.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 0.9985 0.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1928 0.4445 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0574 -1.3190 -0.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8026 -0.3576 1.0441 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7722 -2.0566 0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -0.8974 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7273 -1.1242 1.8452 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1015 -0.9567 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4719 0.0983 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.8109 -1.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 2.3126 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 M END $$$$ E0NN4I -OEChem-05082103233D 66 68 0 1 0 0 0 0 0999 V2000 -0.8420 -0.8286 0.8448 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4836 -0.9757 -0.6826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7617 0.3969 0.3381 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8118 0.8487 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 0.8689 -1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4922 1.6179 -1.4861 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4256 1.5287 -1.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6323 -1.3955 1.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7246 -2.6772 -0.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2596 -1.2501 -0.8475 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3662 1.1673 0.7337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7956 2.1324 1.4241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0288 -3.1831 1.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0038 2.2173 -0.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5432 -2.6694 -1.6447 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7413 3.3160 1.1199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 -0.3541 -0.1407 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6510 0.4941 -1.2217 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7243 0.9833 -0.7678 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3646 -1.4320 0.3746 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5587 -0.1602 -0.1906 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8457 -0.5337 0.2563 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6620 -0.5656 0.0103 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7631 -0.2836 1.4604 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5462 -0.3423 -1.1001 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8550 -1.2773 -0.6277 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1770 -0.7799 -0.0429 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2327 0.7477 -0.0213 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6165 0.9732 1.2757 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9634 1.3286 0.6063 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9694 -2.2159 1.5351 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2869 0.9917 -0.0995 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3901 -1.5407 -1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9435 2.8521 0.5331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5708 0.3067 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5804 -0.0635 -2.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6215 1.7914 -0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 -2.1456 -0.4217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7907 -0.8765 -0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4508 -1.5548 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5629 -0.8562 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1551 -0.1773 2.3672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7767 -0.2084 -1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8425 -1.1456 -1.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 -1.1912 0.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 1.1262 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3934 1.0324 2.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 1.0387 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -1.5572 2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8859 -2.7334 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0189 0.1807 -0.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8587 -1.3442 -2.5005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1902 -1.7717 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 2.1327 -0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.8282 -2.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 3.1925 -0.5076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7892 3.2914 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0781 -2.1799 1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -2.8152 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1325 -0.9150 -1.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2546 0.8481 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4105 2.1066 2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4324 -3.6670 2.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7110 2.0640 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0964 -3.4149 -1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 4.2863 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 23 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 23 1 0 0 0 0 4 30 1 0 0 0 0 5 25 1 0 0 0 0 5 32 1 0 0 0 0 6 18 1 0 0 0 0 6 54 1 0 0 0 0 7 19 1 0 0 0 0 7 55 1 0 0 0 0 8 24 1 0 0 0 0 8 58 1 0 0 0 0 9 26 1 0 0 0 0 9 59 1 0 0 0 0 10 27 1 0 0 0 0 10 60 1 0 0 0 0 11 28 1 0 0 0 0 11 61 1 0 0 0 0 12 29 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 32 1 0 0 0 0 14 64 1 0 0 0 0 15 33 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 31 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 23 26 1 0 0 0 0 23 41 1 0 0 0 0 24 29 1 0 0 0 0 24 42 1 0 0 0 0 25 33 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 47 1 0 0 0 0 30 34 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$ E0NO1Z -OEChem-05082103043D 15 15 0 0 0 0 0 0 0999 V2000 2.3067 -1.1843 0.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4571 1.0837 -0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 0.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 1.2278 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3662 -1.1878 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8088 1.2003 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7609 -1.2153 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 -0.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 0.0629 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0914 2.1900 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1555 -2.1407 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3706 2.1298 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 -2.1661 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5679 -0.0428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2873 -1.1536 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0NV2K -OEChem-05082103053D 7 6 0 0 0 0 0 0 0999 V2000 0.0002 -0.0002 -0.1181 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 0.0355 0.8975 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 -0.0326 0.8949 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0336 1.2577 -0.8391 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0354 -1.2604 -0.8351 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 0.6912 1.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2148 -0.6859 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0NY1O -OEChem-05082103043D 16 16 0 0 0 0 0 0 0999 V2000 2.7427 0.0002 -0.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5758 -0.0002 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0447 -0.0001 0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 1.2079 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1111 -1.2082 0.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4847 1.2081 -0.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -1.2079 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1715 0.0002 -0.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 0.8799 1.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3501 -0.8828 1.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4133 2.1555 0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 -2.1559 0.2413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 2.1486 -0.1864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -2.1484 -0.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 0.0003 -0.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3709 0.7034 -1.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 5 7 2 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0O1YN -OEChem-05082103053D 16 16 0 0 0 0 0 0 0999 V2000 1.4274 0.0012 0.2288 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.0013 -0.2312 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 -1.2016 0.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7328 -1.2036 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7301 1.2004 0.2258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 1.2050 -0.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7881 -1.2758 1.3191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2322 -2.0840 -0.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 2.0818 -0.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 1.2746 1.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 -2.0828 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7936 -1.2820 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7914 1.2835 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2345 2.0849 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3806 0.0021 -0.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 -0.0022 0.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 15 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 16 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0O5FX -OEChem-05082103073D 7 7 0 0 0 0 0 0 0999 V2000 -0.0007 0.8141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7502 -0.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.6786 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.6787 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -0.6806 -0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2614 -0.6805 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0OC0E -OEChem-05082103053D 27 28 0 1 0 0 0 0 0999 V2000 -2.5236 0.3669 0.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9678 0.2884 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2144 0.5208 -0.5698 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6028 -1.2103 0.6019 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0159 -0.5640 -1.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -1.7483 -0.8515 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8584 -1.1836 1.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3694 -0.0317 0.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3676 0.5153 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9057 1.1276 1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 1.9190 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 -1.7778 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 -0.2453 -2.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9584 -0.8477 -2.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.6478 -0.9503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5732 -2.0000 -1.2082 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9222 -0.9376 2.1767 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4018 -2.1053 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5336 0.0122 -1.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1412 0.1571 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5459 1.5824 -0.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 0.7384 2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0812 1.1504 2.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1747 2.1710 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4428 2.2768 -1.6497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 1.9524 -1.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 2.6250 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 M END $$$$ E0OC2E -OEChem-05082103083D 15 15 0 0 0 0 0 0 0999 V2000 2.9683 -0.0001 0.8219 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 0.0001 -0.3339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1460 1.2081 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.2079 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9892 0.0001 -0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5066 1.2079 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -1.2080 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1869 -0.0001 0.2807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3728 2.1561 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -2.1558 -0.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 0.8816 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2643 -0.8813 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0364 2.1484 0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -2.1486 0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2463 -0.0002 0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 M END $$$$ E0OF1T -OEChem-05082103043D 15 14 0 1 0 0 0 0 0999 V2000 0.3372 -1.6121 0.1837 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1682 1.3843 -0.5735 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8501 0.9616 0.5769 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -0.4593 0.6339 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 -0.8603 -0.6571 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 -0.3119 -0.3668 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5472 0.6095 0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9036 0.1627 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9543 0.1255 -0.0088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.3858 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4502 1.6237 -0.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4108 0.6447 1.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 -2.2083 -0.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0733 1.6910 -0.3523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7749 0.6755 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 8 2 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0OO9B -OEChem-05082103093D 24 24 0 0 0 0 0 0 0999 V2000 2.1516 -0.6114 0.9395 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2187 -1.4775 0.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1521 -0.4593 -1.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3606 -1.8922 -0.8655 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5529 0.7763 -0.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 0.3133 -0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8135 2.1405 0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 1.2146 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2418 3.0418 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5576 2.5787 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6766 -0.1400 -0.2582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0672 -1.1055 -0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2576 -1.5185 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5777 -2.8608 0.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8345 2.5135 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 0.8861 0.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0392 4.1041 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 3.2812 0.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -1.0296 0.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 -2.4169 0.3133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -1.8066 1.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7966 -3.4838 0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7472 -3.1396 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5061 -3.0079 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0OS5H -OEChem-05082103053D 11 10 0 0 0 0 0 0 0999 V2000 -1.6213 -0.7156 0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 1.3033 -0.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -0.7599 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 0.0899 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 0.0823 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7203 -1.3855 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7165 -1.4038 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 -0.5468 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0288 0.7425 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0227 0.7256 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.1939 0.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0OY4C -OEChem-05082103283D 22 22 0 0 0 0 0 0 0999 V2000 3.4449 0.8501 0.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 -1.3598 -0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2034 -0.2515 -0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 1.0774 -0.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1567 -1.2483 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2075 -0.5977 -0.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 1.4097 -0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5097 -0.9159 0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9095 0.4130 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2325 0.2637 0.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6312 -0.2140 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8486 0.5731 0.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 1.8838 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8642 -2.2894 0.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -1.6437 -0.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2688 2.4437 -0.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2521 -1.6917 0.3782 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9631 0.6715 0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0851 1.3114 0.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1319 0.2169 -0.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1143 -0.1631 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 1.5029 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 13 1 0 0 0 0 5 8 2 0 0 0 0 5 14 1 0 0 0 0 6 10 2 0 0 0 0 6 15 1 0 0 0 0 7 9 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 M END $$$$ E0P0SJ -OEChem-05082103043D 10 9 0 0 0 0 0 0 0999 V2000 0.1817 0.0065 -0.5212 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 0.0532 0.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8792 1.3112 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 -1.3709 0.1464 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4483 2.2796 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9369 1.2252 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8773 1.2284 -0.2901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.3601 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8463 -1.2894 1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2831 -2.3059 -0.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 M END $$$$ E0P1KX -OEChem-05082103213D 50 49 0 0 0 0 0 0 0999 V2000 6.3778 0.6722 -0.3573 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1874 0.0497 1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3748 -0.0078 -0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2643 -1.0187 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7476 -0.5662 0.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -0.4509 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8951 0.4177 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -1.4742 -0.0282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2749 -0.1657 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 -0.9171 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3863 0.8327 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7563 -1.8786 -0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7639 0.2650 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1332 -1.3130 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8684 1.2667 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5374 -0.1315 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8751 1.8192 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7852 2.6007 -0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3667 0.2511 -1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1894 0.9169 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 -1.2929 1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4424 -1.9356 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9329 -1.4834 -0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 -0.8505 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 0.4546 0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -0.1576 -1.3493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7342 1.3172 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8693 0.7359 -1.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0252 -2.3882 -0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -1.7517 1.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4245 -1.0854 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3233 -0.4387 1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.6519 -1.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7567 0.0152 0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2235 1.7611 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3471 1.0884 -1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7425 -2.1714 0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5975 -2.7947 -0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8026 -0.0071 1.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9423 -0.6503 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -2.0877 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1309 -1.0099 -1.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7372 2.1810 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8777 1.5377 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8446 0.8396 0.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 1.4951 1.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 2.4495 0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6210 1.9777 -0.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 2.9163 -1.4822 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1840 3.4867 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 M END $$$$ E0P4FL -OEChem-05082103263D 66 68 0 1 0 0 0 0 0999 V2000 -2.8577 -1.1004 0.0069 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0627 1.2206 -0.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 -0.1993 -0.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 0.4606 0.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8382 0.0452 2.2497 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1963 1.8516 0.2376 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9172 0.9030 1.2211 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3117 -3.2967 -1.6523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2170 -4.2195 -0.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1138 -2.6145 1.6177 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3373 -1.5096 -1.1776 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6241 2.3354 -1.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1564 1.2514 -2.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8862 3.6897 0.0885 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 1.1510 -0.2483 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8428 -1.4340 2.7525 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7577 -0.0125 -0.1769 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6121 0.2364 1.0662 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9756 1.7055 0.9561 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7800 -1.0462 -0.9259 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8386 2.3097 0.1271 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2424 -2.4328 -1.2837 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0511 -0.6950 0.6870 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4670 -3.0539 -0.1236 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5735 -2.0704 0.4159 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5842 -0.3341 -1.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9974 0.3440 1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 1.4192 0.3081 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6190 1.8848 -0.9850 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9036 3.1916 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 0.7511 -1.6059 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4070 0.1720 -0.5738 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6544 -0.2165 0.7055 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5927 -0.6874 1.8114 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4765 -0.4316 1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1013 2.1963 1.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1021 -0.6138 -1.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 2.8787 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5714 -2.3528 -2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.7594 1.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1469 -3.3910 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 -1.9916 -0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9959 -0.4950 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2777 0.4771 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 1.3126 1.2283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 0.0507 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4800 2.2957 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2784 2.7376 -0.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4182 2.6176 1.7376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 4.0373 1.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7623 -0.0301 -1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9394 -0.6867 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9410 -1.0203 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 0.2505 3.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3746 2.8043 0.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7888 -2.8753 -2.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8192 -3.9525 -1.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 -2.6654 2.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 0.1545 2.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3706 -1.3456 1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8685 -1.6817 -1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1275 3.0493 -1.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6784 0.5157 -3.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 4.2430 0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9819 1.8356 0.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4602 -1.7272 3.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 18 1 0 0 0 0 5 54 1 0 0 0 0 6 19 1 0 0 0 0 6 55 1 0 0 0 0 7 28 1 0 0 0 0 7 33 1 0 0 0 0 8 22 1 0 0 0 0 8 56 1 0 0 0 0 9 24 1 0 0 0 0 9 57 1 0 0 0 0 10 25 1 0 0 0 0 10 58 1 0 0 0 0 11 26 1 0 0 0 0 11 61 1 0 0 0 0 12 29 1 0 0 0 0 12 62 1 0 0 0 0 13 31 1 0 0 0 0 13 63 1 0 0 0 0 14 30 1 0 0 0 0 14 64 1 0 0 0 0 15 32 1 0 0 0 0 15 65 1 0 0 0 0 16 34 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 30 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 M END $$$$ E0P5KD -OEChem-05082103123D 8 7 0 0 0 0 0 0 0999 V2000 -1.4517 -0.8553 -0.0472 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5006 0.7208 1.1239 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4805 0.8222 -1.0555 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 0.1077 0.0029 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3957 -0.0167 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -0.7785 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9914 -1.3801 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -1.4312 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 M END $$$$ E0P9YZ -OEChem-05082103173D 3 2 0 0 0 0 0 0 0999 V2000 0.0000 -0.5548 0.0000 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2172 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2171 0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 M END $$$$ E0PJ5J -OEChem-05082103063D 17 18 0 0 0 0 0 0 0999 V2000 -1.6163 -0.8146 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0135 -1.3702 1.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -1.3733 -1.2741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5478 2.8682 0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 0.8846 -0.0024 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1175 -0.6319 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5024 0.7092 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6307 1.6544 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0266 -1.6693 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8427 1.0531 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 -1.3292 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7849 0.0190 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7650 1.3151 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7132 -2.7066 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1654 2.0885 -0.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1328 -2.1132 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 0.2582 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 8 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 M END $$$$ E0PV4P -OEChem-05082103123D 26 26 0 1 0 0 0 0 0999 V2000 -2.2319 0.2464 0.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2139 1.0745 -0.7173 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1662 -0.7628 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5593 1.0565 -0.4253 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -1.1116 -0.0980 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9376 -1.1730 -1.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2483 -0.2267 -1.0771 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0636 1.0441 0.4301 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5094 -1.9044 1.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5235 2.4687 0.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2864 -0.0139 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1557 -0.6976 1.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8792 -1.5518 -0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6014 -2.2024 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4755 -0.8453 -2.1593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7678 -0.1406 -2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5039 0.6958 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2797 -1.8338 1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3618 -2.9605 0.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5868 -1.5262 1.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6683 3.1335 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 2.8578 -0.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1815 2.5116 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4727 -1.6712 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 -0.8114 2.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0452 -0.0886 1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 11 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 M END $$$$ E0Q0RB -OEChem-05082103233D 54 53 0 1 0 0 0 0 0999 V2000 6.0644 0.2349 0.1713 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6407 -0.0284 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4616 -1.5107 -0.3943 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7116 -0.4811 -0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0055 0.2919 0.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 0.3318 0.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3078 -0.4649 -0.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1847 -0.4944 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5637 0.3761 0.2261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1155 0.2781 0.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8614 -0.3560 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 -0.5715 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1472 0.4673 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6716 0.2188 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4151 -0.3259 -0.3204 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9296 -0.5929 -0.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6598 0.5371 -0.1817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2833 -0.3531 -0.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3936 0.6325 0.2654 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3665 1.8104 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 -1.3893 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 -0.8084 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 0.6102 1.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9967 1.2103 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4386 1.2286 -0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4442 0.6696 1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3465 -1.3638 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2972 -0.8062 -1.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1969 -1.3871 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1967 -0.8474 -1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4998 1.2946 -0.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6016 0.6833 1.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 1.1427 -0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1111 0.6741 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7876 -0.7185 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9453 -1.2474 0.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3609 -1.4121 0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 -1.0026 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0826 1.3360 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2139 0.8584 1.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6650 1.0969 -0.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7195 0.6195 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3592 -0.7181 -1.3424 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4942 -1.1862 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9277 -0.9417 -1.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9713 -1.4590 0.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7601 0.9199 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6245 1.3898 -0.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5546 -0.0487 -0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 0.9536 1.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4559 1.4717 -1.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4387 2.3836 -0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2101 2.4827 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3314 0.5709 0.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 54 1 0 0 0 0 3 18 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 M END $$$$ E0Q1LD -OEChem-05082103153D 24 24 0 1 0 0 0 0 0999 V2000 -0.6720 1.1275 0.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5977 -2.5239 -0.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1894 -1.8646 0.0632 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 0.6420 1.2415 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9544 2.7787 -0.2883 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3713 0.6627 0.0689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1413 -1.2570 0.1494 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2285 -0.9535 -0.4632 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1578 -0.1778 -0.2485 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6509 0.4849 -0.1654 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5454 1.4491 -0.5945 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4886 -0.3682 0.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -1.3301 1.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1998 -1.1108 -1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3525 -0.2053 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6045 0.7233 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3772 1.4031 -1.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3688 -0.2991 1.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9468 -1.3311 0.2287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6813 -2.4755 -1.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -2.7641 -0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9954 0.6176 1.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4613 2.7562 0.5408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9527 1.5121 0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 11 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0Q2ZN -OEChem-05082103043D 17 17 0 1 0 0 0 0 0999 V2000 0.0265 -2.0993 -0.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4262 0.9195 -0.1674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -0.4036 0.9314 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1874 1.0662 0.4956 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 0.6471 -0.2505 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 -0.8619 -0.3284 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2651 0.8679 -0.9147 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0389 0.2034 0.5448 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6093 -1.0745 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 0.4261 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3933 0.3091 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2518 0.0411 1.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1851 2.0303 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8597 1.2189 -1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5550 -1.5576 -0.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 1.4540 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 0.7077 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 10 2 0 0 0 0 3 11 2 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0Q3PU -OEChem-05082103063D 45 46 0 1 0 0 0 0 0999 V2000 -1.4680 0.4385 -0.9184 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6033 -0.8919 0.8122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 0.4834 -0.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0702 -2.0054 1.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 0.6319 0.7326 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2231 0.2156 2.5658 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.7286 0.6379 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.8347 1.1537 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9582 -1.8480 -2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3845 3.2450 -0.8933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8369 0.2057 -2.5044 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4947 -0.8632 -0.3037 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9301 -1.0229 0.1866 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2290 0.3737 0.6887 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5505 1.2243 -0.3791 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7534 -0.7453 0.3971 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6462 -0.7853 1.6390 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1147 -0.5553 1.2746 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2915 0.6577 0.3521 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2579 0.7203 -0.7858 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0903 -1.9271 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0027 2.5323 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -0.1903 -1.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6217 -1.2732 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 0.5301 1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2289 1.4361 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 -1.5992 -0.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 -1.7530 2.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 -0.4029 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3100 0.6750 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 1.7505 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1311 -2.9324 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0995 -1.7686 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2448 2.3605 0.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 3.1543 0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.1132 -2.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6532 -1.2446 -1.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9800 -1.9485 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7364 1.5664 0.9746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 0.0666 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5490 -1.5769 0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3427 2.6011 0.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6962 -2.5508 -3.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 2.6806 -1.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7489 1.1234 -2.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 20 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 14 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 25 1 0 0 0 0 15 22 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E0Q3SU -OEChem-05082103423D 32 33 0 1 0 0 0 0 0999 V2000 -1.8505 -0.7705 -0.7597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0439 0.5177 1.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -1.2387 -0.0444 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 1.4852 -0.3625 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9096 0.1809 -0.9119 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3057 0.5141 0.5168 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2379 -0.4420 0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 -0.3807 -1.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 -0.4910 1.2005 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 0.0685 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2318 -0.8264 0.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3897 1.4354 0.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 -0.3543 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6852 1.9075 -0.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 1.0125 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2446 -2.6183 0.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4735 1.0684 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7501 1.5126 0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -1.3517 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -1.3543 -1.4476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6057 -0.5506 -2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8480 0.3046 -1.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8236 -1.5083 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2234 -0.4883 0.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3285 -0.2452 2.2632 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 -1.8769 0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4274 2.1510 0.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8475 2.9747 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 2.4532 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1847 -3.1759 0.0618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5985 -2.9882 -0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8299 -2.8154 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 13 1 0 0 0 0 3 16 1 0 0 0 0 4 15 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 17 1 0 0 0 0 6 9 1 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 M END $$$$ E0Q3UJ -OEChem-05082103083D 9 8 0 0 0 0 0 0 0999 V2000 -1.5601 -0.8029 -0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6543 1.2846 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7867 -0.5993 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 0.0687 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 0.0489 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.6853 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8883 -0.5054 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 1.1318 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4282 -0.3460 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 4 2 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0Q6DQ -OEChem-05082103073D 26 25 0 1 0 0 0 0 0999 V2000 0.5166 1.3302 -1.1366 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -1.3358 -1.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.0186 1.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 1.0310 1.1961 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 -0.1186 -0.0185 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3721 0.1020 -0.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 0.4748 0.0024 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6047 -0.4724 0.0035 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9649 -0.2560 -0.0037 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9614 0.2601 -0.0078 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1762 0.6728 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1735 -0.6693 -0.0484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5532 1.1123 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5591 -1.1051 0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0388 -0.9551 -0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0253 0.9595 -0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2010 1.3426 0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.2728 -0.9637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1910 -1.3300 0.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 -1.2845 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6781 0.7909 -1.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6726 -0.8010 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 -1.7939 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 0.4178 1.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3348 -0.6503 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3698 0.6793 -0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 8 1 0 0 0 0 2 22 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 10 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 M END $$$$ E0Q7OI -OEChem-05082103153D 61 61 0 0 0 0 0 0 0999 V2000 2.9634 -2.6346 0.3442 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4771 3.1689 -0.0897 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0962 2.1885 0.0678 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 -0.1374 -0.2573 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0056 -4.1105 1.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1614 -2.7078 -0.8631 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7008 -1.6442 1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3673 0.1809 -0.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 -2.2874 -0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1677 -1.2964 -0.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 0.9900 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 0.2007 1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2976 0.8839 -1.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1854 -3.5953 -0.8392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -2.6611 1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -1.7829 0.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6262 1.5804 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 1.1318 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4392 2.3125 1.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1096 1.8638 -1.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 2.4542 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2021 3.1864 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 3.3109 0.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4806 2.2526 -0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 1.0220 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9604 -1.3247 -0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6688 -2.5453 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 -1.7766 -0.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8737 -1.2480 -1.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4635 1.2167 1.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5602 -0.1734 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0477 -0.4116 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4506 1.9396 -0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9004 0.8485 -2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2836 0.4046 -1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8545 -3.4134 -1.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1926 -4.0257 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 -4.3525 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 -3.5531 1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6956 -2.8773 1.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -1.8687 2.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -1.4579 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0473 -2.5874 0.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 -0.9801 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 1.5092 1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6024 0.6777 -2.2688 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 2.7806 1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5216 1.9692 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0598 2.2515 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 4.0363 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8677 4.2240 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2522 3.3524 1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0554 2.2812 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6897 3.1561 -0.8279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2591 0.9691 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9258 1.0691 -1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0277 -1.3052 -1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3883 -1.3735 -1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9205 -3.4568 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2409 -2.5121 0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4842 -4.1616 1.8975 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 27 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 61 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 46 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 M END $$$$ E0QG8L -OEChem-05082103093D 20 19 0 0 0 0 0 0 0999 V2000 0.6558 0.3935 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6558 -0.3932 0.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8649 -0.5413 -0.0114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 0.5414 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 0.2369 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -0.2372 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 1.0388 -0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 1.0489 0.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6930 -1.0225 0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6952 -1.0642 -0.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8337 -1.2015 0.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8334 -1.1803 -0.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8442 1.1983 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8234 1.1837 -0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2485 0.8856 -0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 -0.4510 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2483 0.8607 0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2373 -0.8791 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2592 -0.8681 0.8788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0221 0.4505 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 M END $$$$ E0QK1M -OEChem-05082103073D 9 8 0 0 0 0 0 0 0999 V2000 0.1511 0.0012 0.0816 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.0035 -1.5428 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 -1.2585 0.5118 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 1.2747 0.5058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 -0.0138 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.8782 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0284 -0.9195 0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7074 -0.0087 1.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2922 -0.8503 -1.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 5 1 0 0 0 0 2 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0R0WE -OEChem-05082103273D 54 53 0 0 0 0 0 0 0999 V2000 7.2438 0.3284 -0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 -0.1564 1.2753 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1503 -1.5706 -0.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -1.3743 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0942 -2.3907 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0012 1.9226 -0.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 1.3600 0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 -0.6197 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 1.9525 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4597 1.3590 -0.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8105 -2.6942 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1402 0.7880 -0.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 2.4841 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 0.8265 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2198 -3.5599 0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8401 1.7249 0.3718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7267 2.4473 0.5696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 0.7868 -0.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -3.8707 -0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1374 0.2564 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7120 -0.6036 -0.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -2.0763 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8429 -2.3555 0.7724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2198 -0.8479 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 -1.8633 1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5439 -3.3435 0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 2.9375 -0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1945 1.3077 -1.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 1.9612 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9826 0.3378 0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4239 -0.5581 0.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8056 -1.2134 -1.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0555 2.5759 1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 0.9403 0.8253 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 2.3772 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2904 0.7391 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0849 -3.1921 -1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 -1.7440 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9916 1.2045 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 0.7258 -1.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6205 1.9282 -1.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 3.5260 -0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4503 -0.1828 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 1.4521 1.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -3.0521 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -4.5038 0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6389 1.8410 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7034 3.0866 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7734 0.1451 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1730 1.8000 -0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9701 -2.9499 -0.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -4.4899 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -4.4129 -1.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0434 0.0024 -0.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 54 1 0 0 0 0 2 20 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 4 8 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 13 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 14 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 16 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 19 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 M END $$$$ E0R2GM -OEChem-05082103273D 47 47 0 1 0 0 0 0 0999 V2000 -1.6803 0.2613 1.2718 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0258 -0.3376 -0.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 -2.9921 -0.2663 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7619 -2.6532 -0.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4764 0.1080 -1.1254 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1309 -2.0166 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1302 2.3519 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4283 2.8835 1.4036 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7222 -0.3260 1.6122 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 3.3819 -1.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1207 -0.5532 0.2271 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7362 -1.9810 0.3343 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8419 -1.5692 -0.6357 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8688 -0.7886 0.7414 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6080 -0.3596 -0.0960 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6483 0.7560 0.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1989 0.1949 0.1862 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3662 -0.6471 -0.3557 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2990 1.6918 -0.1702 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3802 1.9064 1.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 -0.2147 0.1833 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3610 1.9745 -1.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9076 -1.0712 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -2.4193 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4372 -1.3707 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2498 -1.1638 1.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2379 -0.6687 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 1.1659 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2106 0.1392 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3743 -0.6114 -1.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 2.1595 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1086 2.3733 0.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8976 1.5717 1.9303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9409 0.8354 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4764 -2.5944 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1305 -2.8593 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 0.4185 -1.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 1.5316 -2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4657 1.6033 -2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -1.0644 -1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8196 -2.1057 0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 -2.0956 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1238 2.2281 1.2964 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.4789 2.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 -0.0286 1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 3.7184 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 0.3550 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 14 1 0 0 0 0 2 17 1 0 0 0 0 3 12 1 0 0 0 0 3 35 1 0 0 0 0 4 13 1 0 0 0 0 4 36 1 0 0 0 0 5 15 1 0 0 0 0 5 37 1 0 0 0 0 6 18 1 0 0 0 0 6 42 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 20 1 0 0 0 0 8 44 1 0 0 0 0 9 21 1 0 0 0 0 9 45 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 23 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$ E0R3FK -OEChem-05082103083D 46 46 0 1 0 0 0 0 0999 V2000 1.3505 0.7244 0.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1443 -1.1519 -0.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8721 -0.9272 -1.1215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5741 -2.6076 -0.6099 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5889 1.5335 -1.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0592 1.2647 -0.9745 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9006 -2.7364 1.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 2.9909 1.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 1.4434 1.3412 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0385 -3.9835 0.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 1.0881 -1.8442 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0755 2.8861 -0.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -0.6042 -0.1871 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5191 -1.1827 -0.6776 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7526 0.9118 -0.0108 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3606 -0.6994 0.1980 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5479 1.2578 0.8712 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9893 -0.7402 0.3610 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8649 0.1694 -0.5298 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3507 2.7620 1.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7606 -1.9686 0.8932 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1128 0.7506 0.1617 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3293 -2.8791 -0.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8975 1.6979 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -1.0774 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3441 -0.9190 -1.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6856 1.2931 0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4377 -1.1392 1.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 0.8145 1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -0.1665 1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1562 -0.3616 -1.4428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5801 -1.6418 1.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 3.2441 1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1403 3.2396 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7961 -0.0511 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 -0.5418 -0.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3319 -2.8945 -1.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7982 2.4773 -1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5222 -3.2942 -0.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0169 -2.3425 -0.8579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2974 0.8927 -1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1649 -3.0601 1.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 2.6003 2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 1.6823 1.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -3.6264 0.9004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8614 1.7099 -2.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 36 1 0 0 0 0 4 14 1 0 0 0 0 4 37 1 0 0 0 0 5 15 1 0 0 0 0 5 38 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 21 1 0 0 0 0 7 42 1 0 0 0 0 8 20 1 0 0 0 0 8 43 1 0 0 0 0 9 22 1 0 0 0 0 9 44 1 0 0 0 0 10 23 1 0 0 0 0 10 45 1 0 0 0 0 11 24 1 0 0 0 0 11 46 1 0 0 0 0 12 24 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 31 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$ E0R7KQ -OEChem-05082103043D 3 2 0 0 0 0 0 0 0999 V2000 -1.1970 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 2 0 0 0 0 M END $$$$ E0R9NS -OEChem-05082103053D 2 1 0 0 0 0 0 0 0999 V2000 -0.5560 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5560 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 M END $$$$ E0RE5T -OEChem-05082103343D 58 58 0 1 0 0 0 0 0999 V2000 6.2577 1.0277 0.8487 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 -1.8893 0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9304 0.7779 -0.6491 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 -1.6020 -1.1213 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -0.2538 -0.2051 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 1.7323 -0.6262 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1220 0.0564 -0.2048 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3127 -0.8871 -0.0666 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3874 0.0464 0.4439 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7557 -0.5981 -0.1125 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6053 0.9817 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6373 0.4127 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -0.4124 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3119 0.4155 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 0.4607 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5074 -0.3704 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5928 -0.3895 0.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2618 0.5000 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9042 0.4028 0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -0.3075 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1399 -0.4467 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2748 0.5344 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4546 0.3260 0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6896 -0.5177 0.4618 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2158 0.6010 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5549 -1.3716 -1.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2037 -0.4539 0.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6100 -1.0829 0.8601 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0052 1.9994 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 0.5910 2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7031 0.8361 -1.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6904 1.2187 0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0198 -0.8941 0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0283 -1.2112 -0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2845 1.2504 0.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3485 0.8567 -1.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 1.2454 0.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 0.9610 -1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8579 -2.4245 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6421 -1.1990 -0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5194 -0.8741 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 -0.8554 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5163 -1.1662 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5694 1.4141 -0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2464 1.2921 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3139 1.0035 -1.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8510 1.2314 0.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0089 0.8515 -0.9798 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7681 -1.9940 -1.0558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0298 -1.0866 -0.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.7847 0.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1611 -1.3079 -0.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0592 -0.8482 1.3402 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5294 0.7383 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4465 1.1786 0.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6688 -0.9179 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7513 -1.3584 -0.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5957 0.0858 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 39 1 0 0 0 0 3 9 1 0 0 0 0 3 44 1 0 0 0 0 4 10 1 0 0 0 0 4 49 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 M END $$$$ E0RL2A -OEChem-05082103083D 18 17 0 1 0 0 0 0 0999 V2000 0.8827 -0.3016 0.1896 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6182 0.4390 0.2797 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 1.6003 -0.3818 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 -0.3773 0.3984 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6382 -1.5780 -0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2489 0.4411 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 0.3640 -0.1152 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 -0.5874 0.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3726 -0.6775 1.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8059 -2.2821 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 -2.1053 -0.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6973 -1.2698 -1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1095 0.6731 -1.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2175 1.2479 0.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -0.1099 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.9198 1.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 -1.4851 -0.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7392 0.6592 -0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 4 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 M END $$$$ E0S1ZN -OEChem-05082103063D 74 77 0 1 0 0 0 0 0999 V2000 7.4996 1.5828 -0.3199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8177 -1.1082 -0.2032 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1192 -0.4371 0.9962 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4069 -0.5652 0.9577 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9478 0.0601 -0.3611 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2919 -0.8444 0.1890 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3507 -0.3835 -1.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5192 -0.0819 -0.4669 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8724 -0.9821 2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 -0.4327 -1.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -1.1293 1.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0419 0.1295 2.1715 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3507 -1.6209 -0.5805 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5360 -2.6262 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1902 0.2693 0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 0.9005 -1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 0.3709 2.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 -1.5261 -0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6816 0.5131 0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 1.0788 -1.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7871 -1.2758 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0799 1.5067 -0.2396 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2110 -1.3511 -2.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1857 0.2026 -0.2341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5950 0.4923 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0210 1.9641 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9608 2.4322 -1.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1320 2.8612 0.9919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 0.6430 0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -1.6247 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7287 1.1384 -0.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 0.2316 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6679 0.6670 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7587 -0.8152 -2.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8128 -0.3057 3.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4762 -1.9538 2.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 -1.4584 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 0.1809 -2.4834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6868 -2.1380 1.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9829 -0.4196 2.2204 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -0.4861 3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5596 1.0968 2.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 -2.6991 -0.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9839 -3.0472 -1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5324 -2.8514 -0.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9299 -3.1942 0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5741 1.8900 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 0.5660 -2.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0374 0.6439 2.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 -1.7868 -1.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0153 -1.6694 -0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5014 -2.2625 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0427 0.8850 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2092 -0.4372 0.6979 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0327 0.1540 -1.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 1.8311 -2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4968 -1.8725 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9223 -1.6028 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 2.5078 0.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -0.2938 -2.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1284 -1.6408 -2.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -1.9624 -2.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 0.8060 0.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1073 0.5076 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8276 1.8603 0.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6571 0.2080 1.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3119 -0.1425 -0.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0556 2.0552 0.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5096 1.7460 -1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4214 3.4218 -1.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9346 2.5173 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 2.5091 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 3.8837 1.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1039 2.9156 0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 65 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 9 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 31 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 21 1 0 0 0 0 13 23 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 22 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 24 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 68 1 0 0 0 0 27 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 28 74 1 0 0 0 0 M END $$$$ E0S6MC -OEChem-05082103213D 12 12 0 0 0 0 0 0 0999 V2000 -3.1004 0.0418 -0.0008 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 1.4995 0.0009 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.6313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 0.6121 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7887 -0.7631 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2367 1.2926 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6603 -1.0845 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3915 0.0328 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 0.5660 -0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 1.9162 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3139 1.9166 -0.8961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -2.0988 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0S7FK -OEChem-05082103413D 20 20 0 1 0 0 0 0 0999 V2000 0.0932 -1.1066 0.6445 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3436 0.0892 -1.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8392 2.3901 0.2844 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8929 -0.2040 -0.3326 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0220 0.5695 -0.6056 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9915 -2.1560 -0.1376 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3397 0.2618 0.7853 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6059 0.4585 -0.0330 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8212 1.0265 0.2887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7464 -0.4082 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8077 0.2273 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 -1.1481 0.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 0.4609 1.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 1.5092 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 -1.4735 0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0013 -0.1462 1.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0999 -0.8522 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0039 2.6957 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 -0.7644 0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5024 -0.2572 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 18 1 0 0 0 0 4 10 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 M END $$$$ E0SA9J -OEChem-05082103283D 16 15 0 0 0 0 0 0 0999 V2000 3.1307 -0.8944 -0.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4173 1.2726 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5813 -0.3496 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6893 0.4061 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2452 0.2043 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0738 -0.1541 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8549 -0.5603 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1867 0.0754 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6721 -1.4330 0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6092 1.4906 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1634 1.2884 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0793 -1.2486 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6146 0.1903 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6143 0.1891 -0.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 -1.6442 0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 -0.5232 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 8 2 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0SF4Y -OEChem-05082103043D 9 8 0 0 0 0 0 0 0999 V2000 -1.1712 0.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 -0.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2175 0.2668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.2120 0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -1.1938 -0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -0.3720 -0.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 0.9307 -0.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 0.9052 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 0.8364 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ E0SG3E -OEChem-05082103243D 74 77 0 0 0 0 0 0 0999 V2000 -8.6949 0.6509 1.2174 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5934 -1.0823 -0.8220 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -2.2783 -1.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6145 0.0443 -1.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.6779 0.0369 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2767 -0.1769 0.7428 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2386 2.4848 0.7732 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 -2.4433 -0.4646 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6372 -2.2675 0.5029 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0967 -0.5302 0.7385 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5639 -0.0442 -0.7308 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3427 0.5523 0.3465 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7230 0.2850 0.1405 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4356 -1.5594 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3606 0.6149 1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -1.5492 -0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9083 -0.6165 -0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8937 -1.9614 1.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2423 1.4162 2.2676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6227 -2.8551 -0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5835 -0.9936 -0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6254 2.8183 -0.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4281 3.7464 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2726 -2.2960 -0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2940 -3.2285 0.0147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3232 1.5018 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 2.0189 0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9984 1.1061 0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 3.3307 -0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9499 3.2336 -0.4364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1259 5.0629 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4216 1.6274 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2319 4.5455 -0.8181 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1961 5.4584 -0.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9756 -0.3702 0.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0746 -1.7176 -0.0733 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0817 0.3636 0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2741 -3.1951 -1.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 -2.3495 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4380 -1.6249 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3217 -0.2684 0.7227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7157 -2.4958 -1.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4481 -2.2804 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8093 -2.4454 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2134 -1.2223 2.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0250 1.2867 0.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4714 0.2578 1.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 0.4044 -1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1479 -2.3854 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5438 -1.0955 1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1254 -2.7107 2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1625 1.7303 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7150 2.3164 2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 0.8578 3.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4005 -3.5992 -0.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0621 -4.2474 0.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5628 4.0440 -0.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7894 2.5555 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9194 5.7936 -0.9281 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 4.8547 -0.9778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4163 6.4798 -1.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9678 -0.3166 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4388 -0.6667 0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0621 1.4135 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1355 -2.4159 -1.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7085 -3.5312 -0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8047 -4.0496 -1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4046 -3.4073 -0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4749 -1.5001 -2.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8537 -3.1491 -2.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 -2.9109 -2.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9597 -2.8569 -1.4619 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3984 -2.7621 -0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6522 -1.2640 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 5 24 1 0 0 0 0 5 38 1 0 0 0 0 6 28 1 0 0 0 0 6 63 1 0 0 0 0 7 32 2 0 0 0 0 8 36 1 0 0 0 0 8 42 1 0 0 0 0 9 40 1 0 0 0 0 9 43 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 26 1 0 0 0 0 13 32 1 0 0 0 0 13 35 1 0 0 0 0 13 62 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 19 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 25 2 0 0 0 0 20 55 1 0 0 0 0 21 24 2 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 30 2 0 0 0 0 23 29 1 0 0 0 0 23 31 2 0 0 0 0 24 25 1 0 0 0 0 25 56 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 27 32 1 0 0 0 0 29 57 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 34 1 0 0 0 0 31 59 1 0 0 0 0 33 34 2 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 36 39 2 0 0 0 0 37 41 1 0 0 0 0 37 64 1 0 0 0 0 38 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 39 40 1 0 0 0 0 39 68 1 0 0 0 0 40 41 2 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 M END $$$$ E0SJ4H -OEChem-05082103073D 45 46 0 1 0 0 0 0 0999 V2000 -0.0229 -0.8150 -0.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 0.7383 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3886 -0.7489 0.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7998 1.9588 -1.0079 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 -2.7017 -0.7891 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7194 -1.4747 -0.8285 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9522 1.1954 -0.9330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6986 2.1805 -1.4862 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1972 0.6998 0.4031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -3.3492 1.2737 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4497 2.8796 1.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1602 -0.2387 -0.1307 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7265 0.8718 -1.0158 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1533 -0.6504 0.0241 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2088 -1.3265 0.1134 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3201 -1.2924 -0.7297 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6427 -1.0193 -0.0138 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8055 0.4704 0.2897 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0818 1.3546 -0.4988 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5673 0.9868 1.0309 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0156 0.1803 -0.2057 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7064 -2.3865 1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6314 2.4872 1.2919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8997 0.2071 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 0.5401 -2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 -1.1605 0.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -1.8288 -0.8257 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 -0.9369 -1.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6852 -1.5921 0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 0.6405 0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4478 0.4668 1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9417 1.9739 0.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 -0.3225 -1.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -1.9544 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8203 -2.9015 0.7073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 3.0637 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4927 2.7455 1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 1.6245 -1.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2402 -2.8440 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5671 -2.4175 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 1.1850 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5603 2.4617 -1.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9095 0.0597 0.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -2.8843 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6947 2.6344 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E0SM9B -OEChem-05082103053D 8 7 0 0 0 0 0 0 0999 V2000 0.0936 -0.0002 -0.0071 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6464 -0.8650 -1.1531 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5406 -0.5569 1.3712 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4998 1.4936 -0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5932 -0.0714 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6269 -0.8815 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5153 -0.5509 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1382 2.0806 -0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 M END $$$$ E0SZ4A -OEChem-05082103163D 25 25 0 0 0 0 0 0 0999 V2000 -1.3536 2.1397 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3406 -2.3017 -0.5546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7105 -1.4124 0.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0983 -0.7730 0.9854 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0027 -0.4007 -0.2536 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2175 -0.1614 -0.2509 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8173 1.0322 -0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 1.1054 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 1.8706 -1.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3380 1.4957 1.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2079 -1.0971 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3127 -1.0230 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6316 -0.4743 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9999 1.5275 -2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0991 2.9243 -1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 1.8217 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0852 2.5459 1.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 0.9068 2.1319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 1.3956 1.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0447 -0.3329 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2475 -1.9210 -0.9473 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7868 -1.3465 -0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 0.3880 -0.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5842 -1.8311 0.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 -0.9781 0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 11 2 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 25 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 M END $$$$ E0T0EN -OEChem-05082103223D 19 19 0 1 0 0 0 0 0999 V2000 1.3913 1.7358 -0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 1.7354 -0.1045 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -1.5042 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 -0.6634 0.3980 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2330 -0.6642 0.3974 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7475 0.7258 0.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 0.7256 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4731 -1.0449 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -1.0459 -0.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0008 -1.7164 -1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -2.4674 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 -0.7240 1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -0.7254 1.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3216 -0.4164 -0.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 -2.0895 -0.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3246 -0.9120 -1.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7418 -2.0909 -0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3211 -0.4181 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -0.9123 -1.4639 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 12 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0T1GY -OEChem-05082103103D 14 13 0 0 0 0 0 0 0999 V2000 -0.2577 -0.4782 -0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2472 1.2745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3470 0.4499 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6506 -0.3197 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 0.0789 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0213 -1.0053 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 1.0804 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 1.0807 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5065 0.3609 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 -0.9687 -0.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7147 -0.9690 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9158 -1.6188 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -1.6175 0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0182 -0.5553 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 M END $$$$ E0T1MM -OEChem-05082103303D 8 7 0 0 0 0 0 0 0999 V2000 -1.8438 -0.0137 -0.5568 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9802 1.0653 -0.3854 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 -1.1145 -0.3162 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 0.0062 0.4095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7535 0.0566 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3744 0.0173 1.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9947 -0.7969 1.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 0.9860 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 4 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 M END $$$$ E0T2AJ -OEChem-05082103063D 29 28 0 0 0 0 0 0 0999 V2000 0.0565 -1.3271 0.3135 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4661 -0.0585 -0.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 0.9185 0.1580 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1720 -2.8597 -0.9026 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5002 1.9626 0.2195 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 1.5804 -0.8925 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 -0.4215 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2315 0.6111 -0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.2335 -1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8466 -2.3372 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 0.7436 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 1.5525 0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 -2.7304 1.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7487 -0.0931 0.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1161 2.2254 1.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4882 -0.9842 -1.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9606 1.1507 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 1.3255 -1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9562 -0.5004 -1.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1087 0.9537 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 -3.5417 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5936 -3.0832 2.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 -1.8782 1.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 -0.6332 -0.5863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 -0.7907 1.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 0.5556 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3488 2.9721 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1675 1.4801 2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0841 2.7299 1.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 M END $$$$ E0T2PX -OEChem-05082103103D 43 42 0 0 0 0 0 0 0999 V2000 6.8251 -0.1097 -0.0043 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3178 0.5233 0.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 1.1858 0.2292 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -0.9711 1.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0895 -0.6287 -1.3332 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1781 0.4694 -0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4647 -0.3632 -0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9058 -0.3804 -0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 0.4295 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 0.4523 -0.0152 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -0.4553 -0.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6531 -0.3975 -0.0299 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3322 0.3416 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 0.4826 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5808 -0.5383 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1894 -0.3385 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8509 0.2981 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1707 1.0969 0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 1.1494 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 -1.0039 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 -1.0385 -0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9123 -0.9994 -0.9504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9076 -1.0686 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 1.0374 -0.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7989 1.1277 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3871 1.1313 -0.8769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3767 1.0812 0.8837 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9759 -1.0995 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0278 -1.1188 -0.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6470 -1.0848 0.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6741 -1.0095 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3178 1.0175 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3856 0.9744 -0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8967 1.0941 0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9081 1.1926 -0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5644 -1.1304 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5870 -1.2431 -0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2262 -1.0179 0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 -0.9355 -0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9107 0.8748 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7320 -0.3487 0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8884 0.9966 0.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7560 0.9953 0.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 2 16 1 0 0 0 0 3 43 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 10 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 M END $$$$ E0T9HR -OEChem-05082103303D 5 4 0 0 0 0 0 0 0999 V2000 0.0230 0.0758 -0.5776 P 0 3 0 0 0 0 0 0 0 0 0 0 1.1415 -0.8131 0.1817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3177 -0.5531 0.1732 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1532 1.2903 0.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -1.7482 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 M CHG 2 1 1 3 -1 M END $$$$ E0TD8C -OEChem-05082103063D 14 13 0 1 0 0 0 0 0999 V2000 2.2268 1.1231 0.0436 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3649 1.1718 0.9125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 0.4956 -1.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 -1.9834 0.1592 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1262 -0.6592 0.4341 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4925 -0.5194 -0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8690 0.3716 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -0.5515 1.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -1.2704 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 -0.6634 -1.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2936 -2.1083 0.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2095 -2.7023 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3385 1.8238 -0.6762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9919 1.8374 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 M END $$$$ E0TH0K -OEChem-05082103073D 27 28 0 1 0 0 0 0 0999 V2000 1.4762 -0.8154 1.7282 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5598 -1.9472 0.0879 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6474 2.0044 0.5482 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8759 0.3655 -0.5832 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1475 1.1323 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5065 0.9845 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8667 0.1349 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5601 0.4881 0.0402 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9823 0.7078 0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 2.2702 0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9431 -1.2045 -0.8169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1751 0.0055 0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2083 -0.8852 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 -1.9193 -0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2274 -1.3216 -0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4724 0.2941 -1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8346 1.9497 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 1.1902 0.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0723 3.2449 0.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 2.6639 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 -1.6864 -1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0301 0.4699 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1948 -2.9522 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5715 0.1348 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1549 1.2657 -0.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1393 -1.8953 0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 -1.7057 2.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 20 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 12 2 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 26 1 0 0 0 0 M END $$$$ E0TI0V -OEChem-05082103433D 52 53 0 1 0 0 0 0 0999 V2000 -0.3808 -1.2800 -1.1143 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 0.4822 0.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -0.4268 0.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 0.4238 -3.0359 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4121 -2.1054 -0.6559 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5007 0.7485 -0.8383 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 2.8440 -1.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 2.3533 0.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1457 -1.3345 2.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3998 3.0836 1.3073 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -0.8698 3.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8974 -0.6772 -0.8602 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3379 -0.8783 -0.1375 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8998 0.6551 -1.6282 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7189 -0.8793 -0.7974 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4299 0.2369 -0.0675 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0837 1.5419 -1.2491 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3059 1.2473 0.0827 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1928 1.6838 0.2679 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1589 0.3122 0.9494 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9721 -1.6641 -1.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 -1.7785 1.0914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5029 2.1958 1.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0966 0.4327 2.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9146 -2.9342 -0.5474 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9384 -3.4130 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 1.2311 -1.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6513 -0.6632 -1.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 -0.0918 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 1.1677 -1.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1690 1.8343 -0.8343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 2.3157 0.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -0.2636 0.7086 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9738 -1.2249 -1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8001 -1.9362 -2.3818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2466 -1.8134 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4516 -2.8172 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5361 1.6485 2.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4218 2.7786 1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9697 0.9600 2.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1854 0.9548 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8324 0.1206 -3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8878 -2.7887 -1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 1.0572 -1.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 3.2115 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9962 -3.5145 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 1.7854 0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0872 -1.9474 2.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5465 3.6765 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0105 -0.7705 3.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8406 -4.3483 0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8838 -2.8857 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 20 1 0 0 0 0 4 14 1 0 0 0 0 4 42 1 0 0 0 0 5 15 1 0 0 0 0 5 43 1 0 0 0 0 6 16 1 0 0 0 0 6 44 1 0 0 0 0 7 17 1 0 0 0 0 7 45 1 0 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 22 1 0 0 0 0 9 48 1 0 0 0 0 10 23 1 0 0 0 0 10 49 1 0 0 0 0 11 24 1 0 0 0 0 11 50 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 23 1 0 0 0 0 18 31 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 20 24 1 0 0 0 0 20 33 1 0 0 0 0 21 25 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 M END $$$$ E0TU6R -OEChem-05082103213D 15 15 0 0 0 0 0 0 0999 V2000 1.4559 0.0667 0.0249 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -1.2485 -0.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 0.1430 -1.0831 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 0.0234 1.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7728 2.2526 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 1.3787 -0.1048 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8448 -1.2157 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -0.0980 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0343 1.2755 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4651 -2.5779 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 2.3209 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6608 -0.1619 0.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 -3.1183 -0.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5530 -2.5367 0.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 -3.1531 0.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 7 1 0 0 0 0 5 9 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 M END $$$$ E0U2AB -OEChem-05082103213D 54 58 0 0 0 0 0 0 0999 V2000 2.6720 2.3271 0.0713 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 2.3294 0.0734 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8077 -0.2302 0.5741 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -0.2286 0.5724 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6984 1.0397 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 1.0402 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3962 -0.1514 0.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3967 -0.1506 0.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6993 3.5385 -0.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 3.5390 -0.1633 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4481 2.2888 0.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4469 2.2900 0.0812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -1.3358 0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 -1.3354 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 4.7292 -0.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 4.7302 -0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7059 -1.2616 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7066 -1.2601 0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6986 5.9142 -0.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6948 5.9146 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9415 -1.3470 0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9421 -1.3450 0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3664 -2.2061 -0.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3681 -2.2044 -0.7258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 -3.3115 -0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4921 -3.3092 -0.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8324 -2.3703 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8334 -2.3681 0.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2573 -3.2294 -1.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2595 -3.2275 -1.0492 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 -4.4049 -0.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4445 -4.4037 -0.7463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2032 -2.2709 1.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2052 -2.2702 1.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2592 0.6066 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2596 0.6085 0.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4842 4.7579 -0.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 4.7598 -0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 6.8377 -0.8077 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2368 6.8385 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2202 -0.6201 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2197 -0.6185 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4251 -2.1533 -1.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4266 -2.1523 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7908 -2.4226 1.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7897 -2.4226 1.0832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9828 -3.9525 -1.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9839 -3.9529 -1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1033 -4.0842 -1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0577 -4.6822 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9103 -5.3078 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2614 -5.2752 -0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4827 -4.0818 -0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3375 -4.7051 -1.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 12 2 0 0 0 0 3 7 1 0 0 0 0 3 17 1 0 0 0 0 3 35 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 23 1 0 0 0 0 18 22 2 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 27 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 29 2 0 0 0 0 23 43 1 0 0 0 0 24 30 2 0 0 0 0 24 44 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$ E0U3EK -OEChem-05082103213D 15 14 0 0 0 0 0 0 0999 V2000 1.2663 1.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 0.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2753 -1.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5661 -1.0949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 -2.1856 0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9046 -1.4493 -0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 -1.4490 0.8905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 1.0203 -0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 2.0394 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 1.0203 0.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -0.8087 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -1.6851 0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3799 -1.6852 -0.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 M END $$$$ E0U4QR -OEChem-05082103143D 43 45 0 0 0 0 0 0 0999 V2000 -7.6335 1.4215 -0.0213 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 1.3194 -0.2721 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7961 1.2866 -0.2995 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9631 1.7105 1.5537 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5855 -4.3788 0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6340 2.7100 -0.6985 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5009 0.3452 -0.4741 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 -3.5351 -0.2157 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3753 1.5614 1.2063 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4165 0.1865 -0.8643 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6708 2.6009 -0.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.6829 -0.0915 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7198 -2.0068 0.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5142 -0.5178 -0.3316 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1065 -0.3093 0.7514 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3794 -0.1932 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9185 0.0759 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3605 -2.0927 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2209 -0.8965 -0.2027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6196 1.1840 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4704 -1.0649 0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0010 0.8021 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9236 1.6791 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7744 -0.5698 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3169 -3.3807 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0691 0.8399 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4363 0.0765 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0669 1.8064 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7517 -0.5092 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 1.4237 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 -0.8919 0.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 -2.7568 -0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8467 1.9325 -0.2846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 -2.1388 0.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0775 2.7516 -0.2471 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5972 -1.2711 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2910 2.8636 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -1.2785 0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9725 2.1831 0.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -1.9450 0.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3876 2.3822 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1597 -5.2626 0.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4013 0.7684 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 22 1 0 0 0 0 2 9 1 0 0 0 0 2 10 2 0 0 0 0 2 11 2 0 0 0 0 2 26 1 0 0 0 0 3 17 2 0 0 0 0 4 41 1 0 0 0 0 5 25 1 0 0 0 0 5 42 1 0 0 0 0 8 25 2 0 0 0 0 9 43 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 27 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 20 23 1 0 0 0 0 20 33 1 0 0 0 0 21 24 2 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 35 1 0 0 0 0 24 36 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 28 30 1 0 0 0 0 28 37 1 0 0 0 0 29 31 2 0 0 0 0 29 38 1 0 0 0 0 30 39 1 0 0 0 0 31 40 1 0 0 0 0 M END $$$$ E0U7LV -OEChem-05082103313D 41 42 0 1 0 0 0 0 0999 V2000 2.2635 -0.8403 0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.4966 0.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7204 2.4477 0.4079 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8385 -0.1602 -0.1438 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 2.6673 -0.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1616 -3.4305 0.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 1.3937 -0.2306 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5114 0.0649 0.3244 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5031 1.5653 0.0386 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6145 -1.0925 -0.1212 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7188 0.3160 -0.3627 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0382 -2.4125 0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -0.6278 -0.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8344 -0.3781 0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8893 -0.3762 -0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2873 -0.1503 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 0.4806 0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3116 -0.5733 -1.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8773 0.6944 1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6359 -0.3594 -0.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9188 0.2746 0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2092 1.4795 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5547 0.1197 1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3324 1.8067 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6443 -1.2170 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7306 0.1871 -1.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9717 -2.3706 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0585 -2.6886 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 2.3026 0.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8090 -0.2175 -1.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1516 2.4726 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0665 -1.5262 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3891 -0.7993 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2581 -3.1721 0.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9502 -0.2264 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 -0.5642 -1.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7754 0.8437 1.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1075 -1.0697 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0983 1.1924 2.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4470 -0.6863 -1.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9499 0.4423 0.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 3 29 1 0 0 0 0 4 8 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 5 31 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$ E0U9HW -OEChem-05082103263D 24 24 0 1 0 0 0 0 0999 V2000 -0.3607 -1.3737 0.7522 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3678 1.5078 1.1872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 -0.9204 -1.4398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8355 1.9588 -0.3866 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1056 -0.6823 -0.2036 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1813 0.6210 -0.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3121 0.9036 -0.1072 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0567 -0.4448 -0.0942 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1523 0.7155 -0.5213 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8266 -0.3587 0.3323 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9822 -1.6276 0.3482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -0.2993 0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7826 1.6073 -0.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 0.4337 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 0.0127 1.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9861 -2.1275 -0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 -2.3477 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4687 0.0443 1.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 -1.2601 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0724 0.8511 1.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9094 -1.5255 -1.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3774 2.6078 -0.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9811 -0.9954 -1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0784 0.6936 0.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 20 1 0 0 0 0 3 8 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 6 12 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END $$$$ E0U9NK -OEChem-05082103063D 27 27 0 0 0 0 0 0 0999 V2000 -2.1076 -0.0513 0.0042 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9519 -2.7078 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 1.7977 -0.0056 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0728 -0.9266 -0.0028 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5147 2.1730 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3307 -0.9616 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4933 0.3082 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 0.4814 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 1.3814 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4121 -0.8915 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2026 0.9748 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.3644 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5434 0.9085 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -0.6573 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.4644 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 -1.5771 -0.8641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0830 -1.5640 0.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7091 0.9027 -0.8928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 0.9067 0.8946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 2.4531 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 -1.6240 0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0921 -0.0893 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3954 -1.5871 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1091 -0.0747 0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9137 -2.8550 -0.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2163 2.7015 -0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.1620 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 25 1 0 0 0 0 3 13 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 27 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 12 2 0 0 0 0 10 21 1 0 0 0 0 12 15 1 0 0 0 0 13 15 2 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 M END $$$$ E0UT5F -OEChem-05082103093D 40 40 0 1 0 0 0 0 0999 V2000 0.2475 -0.1361 0.0345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3686 -1.8608 1.0679 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7984 -2.1560 -0.1115 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 0.1377 -0.1613 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4872 -0.6267 0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1593 1.5548 0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6891 0.0854 -0.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0012 -0.7280 0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0056 -0.6728 -0.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3837 1.6060 1.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2070 0.0415 -1.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -0.8091 0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5911 -0.0895 0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 -0.7982 -0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 1.2867 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8954 -0.1033 -0.5962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6846 1.9816 -0.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 1.2867 -0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 0.2778 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -1.6157 -0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6828 -0.8083 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9154 2.1751 -0.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 2.0398 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5047 0.2322 -1.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 1.0795 -0.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -1.7186 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0747 -0.8640 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9206 -1.6669 -0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1854 -0.8269 0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5977 1.0765 2.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 2.6470 2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 1.1791 2.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1175 -0.5435 -0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3465 1.0247 -0.5698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0787 0.1818 -2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6365 1.8553 0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8216 -0.6315 -0.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6616 3.0642 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7586 1.8280 -1.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 -2.4584 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 12 2 0 0 0 0 3 14 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 M END $$$$ E0V3RU -OEChem-05082103073D 26 25 0 1 0 0 0 0 0999 V2000 -2.3027 -1.9535 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 -0.5315 1.1465 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8917 1.6021 -0.3339 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 -0.2357 0.0497 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9181 -1.4167 -0.3497 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 0.7627 0.2805 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7698 0.4929 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1713 0.8748 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2988 0.3560 -0.8131 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3447 1.0326 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7459 -0.7207 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2599 -0.2630 0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3371 -0.4537 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4987 1.2540 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 1.8211 0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4186 0.1088 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7019 0.1202 -1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6008 1.8203 -0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6949 1.3401 1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 1.5421 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 2.3685 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6025 -2.6477 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 -2.2611 -0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 -1.4589 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1395 0.6251 0.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 1.6857 0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 10 1 0 0 0 0 4 12 2 0 0 0 0 5 12 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 M END $$$$ E0V5AX -OEChem-05082103083D 22 21 0 1 0 0 0 0 0999 V2000 0.0350 -1.6445 -0.7707 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 1.6290 0.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3496 1.6428 0.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6872 -0.6169 1.1484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.6434 1.1539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 -0.3549 -0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 0.3744 -0.5579 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2973 0.3759 -0.5633 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5838 -0.3719 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5800 -0.3905 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0075 -0.4969 0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 0.5833 -1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2748 0.5571 -1.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4524 0.2281 -0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 -1.3299 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4547 0.1996 -0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 -1.3465 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -1.5094 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6052 2.1799 -0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1422 2.1066 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 0.2421 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5194 -1.1260 1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 19 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 M END $$$$ E0V6KE -OEChem-05082103053D 14 13 0 0 0 0 0 0 0999 V2000 1.0051 -0.1135 0.0174 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 1.2404 -0.2242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1465 -0.9745 -1.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 -0.6011 1.3605 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0095 0.2190 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 0.6381 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6936 -0.4084 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6598 1.3111 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 1.2314 -0.9381 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6083 -1.0765 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6019 -1.0300 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7281 -0.5027 -0.0366 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1192 0.7747 -0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8365 1.6189 -1.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 2 14 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 M END $$$$ E0V6QI -OEChem-05082103083D 19 19 0 0 0 0 0 0 0999 V2000 -2.4002 -0.8394 -0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8165 -0.3105 -0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3204 1.4612 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 0.1886 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5334 1.3039 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2429 -1.0946 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9181 1.1361 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6277 -1.2625 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4654 -0.1470 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 0.3633 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8313 -0.7992 -0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1278 2.3123 -0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -1.9917 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 2.0131 -0.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0486 -2.2643 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2008 -1.8280 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1933 -0.2939 -0.9017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1950 -0.2941 0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2399 0.5652 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 9 1 0 0 0 0 2 19 1 0 0 0 0 3 10 2 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 6 8 2 0 0 0 0 6 13 1 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 M END $$$$ E0V9NU -OEChem-05082103263D 81 84 0 1 0 0 0 0 0999 V2000 -6.4759 1.4137 0.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1123 0.6203 0.4367 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4652 -0.7497 0.0351 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6215 0.2892 0.3461 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2562 0.5861 -0.0938 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0507 -0.6692 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -0.8409 -0.1065 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7028 0.4785 -0.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 -1.7077 0.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6113 1.6901 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.1410 0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 1.7538 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4886 -0.8806 -0.0735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7547 -1.9270 0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 -1.7559 0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8097 1.3710 -1.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 1.2613 1.0195 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7640 1.0754 1.8908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7113 -1.1967 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 0.3340 -0.8391 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1497 0.8832 -1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5517 1.3657 1.2111 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 -2.1654 -0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0736 -1.0094 1.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 0.8425 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 2.6684 0.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5703 0.7904 -0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0282 0.4347 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -0.7883 -0.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0872 -0.9341 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -2.0924 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8867 0.2398 -0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6279 -1.2674 -1.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2569 -2.7450 0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8883 -1.7167 1.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9716 1.4926 -1.5497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9618 2.6950 -0.2939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1099 -1.1561 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 -1.7625 0.3114 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2305 2.0902 -1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 2.5511 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6434 -2.6816 -0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2788 -2.3346 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6998 -2.7496 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 -1.3534 1.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 1.3188 -2.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8974 2.4369 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3952 1.3046 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3108 1.0671 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2234 0.4350 2.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 2.0973 2.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2395 -0.5268 -2.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 -1.2669 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2889 -2.1948 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0324 0.0215 -1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6173 1.7182 -2.4276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9566 0.1074 -2.6424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 2.3791 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6137 1.4948 1.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 0.8740 2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0234 -2.2633 -0.8395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5281 -3.0718 -0.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 -2.1498 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1691 -0.9700 1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7362 -0.2139 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8041 -1.9630 1.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2165 -0.1334 1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6845 1.5459 1.4237 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2686 2.6660 -0.6448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5446 3.1861 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2575 3.2972 0.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 2.1014 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 1.7604 -1.0826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9929 0.0719 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6887 1.2995 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5985 0.0322 -0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4785 -1.4577 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3507 -1.5090 -1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1877 -2.6602 0.2734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7704 -1.9607 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0359 -2.6934 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 72 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 2 18 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 32 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 33 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 21 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 27 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 26 71 1 0 0 0 0 27 28 1 0 0 0 0 27 73 1 0 0 0 0 27 74 1 0 0 0 0 28 29 2 0 0 0 0 28 75 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 30 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 31 81 1 0 0 0 0 M END $$$$ E0VB2Y -OEChem-05082103163D 48 47 0 1 0 0 0 0 0999 V2000 4.8369 -0.2378 -0.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4059 0.1245 -0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2011 1.5566 0.2869 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -0.3993 -0.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9641 0.3721 0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 0.4544 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2538 -0.4476 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 -0.3143 -0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5248 0.3899 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 0.5449 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8125 -0.4139 -0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4252 -0.2642 -0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0840 0.4249 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6874 0.5618 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3317 -0.4342 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0456 0.3870 -0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1742 -0.5737 -0.3549 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2077 -1.7309 0.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6439 -0.8070 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.2560 0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9421 0.8353 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0008 1.1970 -0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 0.8524 1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 1.3175 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2689 -0.9370 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2458 -1.2462 0.7263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 -1.1700 0.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -0.7237 -1.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5035 1.2187 -0.5812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5356 0.8386 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 0.9359 1.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1172 1.4071 -0.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8392 -1.2336 0.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7908 -0.8764 -1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4549 -1.1445 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4206 -0.6542 -1.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0935 1.2102 -0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0985 0.9215 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6918 1.4174 -0.6489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7129 0.9338 1.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3660 -1.2071 0.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2297 0.1839 0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3611 -0.9252 -1.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0600 -0.9197 -1.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3173 -1.3675 1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2941 -2.3312 0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0641 -2.3836 0.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1035 -0.4626 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 48 1 0 0 0 0 3 16 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 M END $$$$ E0VM7C -OEChem-05082103133D 16 16 0 0 0 0 0 0 0999 V2000 1.0953 -1.7042 0.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5109 0.5758 0.0065 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7866 0.3643 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 1.3470 -0.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -0.9910 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 -0.7974 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8133 1.2054 0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7445 0.5790 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9424 0.3907 1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7776 1.6553 -1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6867 2.2264 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4276 -1.2275 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 -1.7915 0.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5965 0.4539 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8473 1.9166 0.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9668 1.7321 -0.9148 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END $$$$ E0VR2M -OEChem-05082103053D 50 49 0 0 0 0 0 0 0999 V2000 -9.5605 0.6695 -0.0838 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5332 -1.3534 0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -0.4356 0.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 0.4509 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0463 0.4092 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7911 -0.3346 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2949 -0.4722 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0721 0.5050 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 0.3187 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3539 -0.3321 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8930 -0.5009 -0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 0.5561 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1645 0.3517 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9165 -0.2275 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4506 -0.4776 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1730 0.6435 -0.0191 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 0.3603 -0.0527 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4681 -0.1310 -0.0149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7548 -1.1149 0.9189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7587 -1.0564 -0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 1.0745 0.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 1.1356 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0499 1.1058 -0.7593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0675 1.0123 1.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8365 -0.9824 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7737 -1.0030 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2759 -1.1927 0.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2778 -1.0564 -0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0493 1.1259 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0825 1.1921 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5908 1.0785 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6387 0.8661 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3611 -0.9849 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 -0.9811 -0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9379 -1.2311 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8533 -1.0741 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5713 1.2318 -0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5806 1.1888 0.9014 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1435 1.0427 -0.8919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 0.9681 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9460 -0.9033 0.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9313 -0.8708 -0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4539 -1.0823 -1.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4650 -1.1782 0.7506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1671 1.2837 0.8703 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1683 1.2834 -0.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7586 1.0487 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6026 -0.2843 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7686 0.9489 0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3937 0.1519 -0.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 50 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 M END $$$$ E0VT4B -OEChem-05082103073D 8 7 0 0 0 0 0 0 0999 V2000 1.5468 -1.3431 0.6456 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5471 -1.3437 -0.6444 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2628 1.1910 0.4442 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 0.0970 -1.4234 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0434 0.0987 1.4233 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2627 1.1906 -0.4454 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7512 0.0546 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 0.0549 0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 2 8 1 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 8 1 0 0 0 0 7 8 1 0 0 0 0 M END $$$$ E0VX5C -OEChem-05082103053D 81 82 0 1 0 0 0 0 0999 V2000 3.1682 0.0819 0.4053 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 -4.0320 0.7569 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6322 0.5351 -0.8804 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6373 1.5667 -1.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.6372 -1.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 2.4549 -0.3233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 4.3865 0.1828 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1073 3.5008 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6097 -1.4696 -2.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2421 3.5375 1.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 1.2405 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.7380 -0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 2.6673 0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2729 -0.9550 0.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0775 1.8409 1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 0.8870 1.4028 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5537 5.3340 -0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6444 -0.3569 0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0241 -2.7670 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6669 -1.2229 1.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 -1.3692 0.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7382 -2.2563 1.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0474 0.5002 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -3.0258 0.6477 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6692 -0.8452 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0340 -0.2650 -2.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6477 -3.6030 -1.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0084 -0.3948 2.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0841 -2.5415 3.0769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 0.2882 -3.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1992 -1.3422 -2.8421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 2.1722 -2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7821 1.0697 -1.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 -1.2899 -1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 -0.2826 -2.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8713 2.9694 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 1.8253 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2132 4.9934 0.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 2.9989 -1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6598 4.1498 -1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9004 -2.4057 -2.5216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8979 -0.9590 -2.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6487 4.2248 2.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 2.9266 1.8175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3886 1.6725 -1.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8783 2.0328 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 0.5332 -0.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0172 1.9824 -0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1581 3.2904 0.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3163 1.2619 2.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 2.5539 2.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 1.4404 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 4.7993 -1.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 6.0284 -1.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0974 5.9310 0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0124 -0.0494 -0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -0.8836 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1524 -2.2390 -0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2569 -1.7601 1.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 1.3914 3.1578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9381 -0.0650 2.3359 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4677 -0.1076 3.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3459 -1.6654 -1.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3034 -0.0771 -0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3729 0.5671 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 -4.3125 -1.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -4.1772 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4584 -2.9758 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0999 -0.0128 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6066 0.4904 2.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5841 -0.9871 3.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9183 -2.1041 3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 -3.6206 3.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6444 -2.1661 3.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7654 -0.4967 -3.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5986 0.7183 -4.0021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6683 1.0765 -2.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7967 -2.2346 -3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 -1.6421 -2.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8028 -0.9676 -3.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0805 -3.8846 1.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 14 1 0 0 0 0 2 24 1 0 0 0 0 2 81 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 9 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 12 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 21 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 24 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 20 28 1 0 0 0 0 21 25 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 25 26 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 28 71 1 0 0 0 0 29 72 1 0 0 0 0 29 73 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 30 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 M END $$$$ E0W0XS -OEChem-05082103093D 13 13 0 1 0 0 0 0 0999 V2000 -0.0218 0.9508 0.0405 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -1.1505 0.0333 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 0.6154 -0.0951 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 0.0865 0.3926 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6257 -1.2401 -0.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3928 0.5592 -0.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1072 0.1787 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1805 0.0841 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0253 -2.0793 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 -1.3980 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 0.6471 -1.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2155 -0.1244 -0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6511 1.5567 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 7 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 M END $$$$ E0W5DF -OEChem-05082103333D 57 57 0 1 0 0 0 0 0999 V2000 -0.5733 -1.4956 -2.0365 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2402 0.0040 -1.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2757 -4.3741 0.8418 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3594 -3.2178 2.5694 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5618 -1.0122 0.3470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5246 -1.7958 -0.1845 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9056 -0.8730 -0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9795 1.1950 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3934 -0.2349 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9535 -0.4149 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0515 1.6122 1.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3824 1.2905 -0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0494 2.1768 -1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1541 -1.9840 0.2669 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9131 -3.4707 0.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2623 -1.4436 -0.8483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8888 -0.2720 -1.2318 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5791 1.2110 -1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2812 -3.6675 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6445 2.0882 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 -0.4805 -0.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 2.2837 0.5243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 2.7015 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5639 3.0927 1.6591 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9058 3.5104 1.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7649 3.7059 2.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 -0.1354 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0463 -0.9375 0.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4423 -0.5250 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 0.2578 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -0.1635 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 1.6755 1.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5185 2.5981 1.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6473 0.8982 1.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7936 2.3022 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0761 0.6021 -0.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3600 1.0324 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0804 2.2892 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8716 1.8567 -2.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4957 3.1778 -1.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9792 -1.4200 1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1531 -2.4090 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7589 -4.0199 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7599 -3.9439 1.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8339 -0.8014 -2.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0799 -0.8622 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 1.3076 -1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 1.6148 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4387 1.8139 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7412 2.5655 -0.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3245 3.2451 2.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 3.9892 1.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 -4.4820 1.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8117 4.3361 2.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2379 0.2938 -1.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8598 -1.1931 -1.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 0.4102 -0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 19 1 0 0 0 0 3 53 1 0 0 0 0 4 19 2 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 42 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 23 25 2 0 0 0 0 23 50 1 0 0 0 0 24 26 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 M END $$$$ E0W6SA -OEChem-05082103043D 5 4 0 0 0 0 0 0 0999 V2000 -1.1685 0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 0.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 -0.3927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 -1.4875 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 1.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ E0WA2U -OEChem-05082103073D 5 4 0 0 0 0 0 0 0999 V2000 -0.2945 1.6547 -0.5002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2858 -1.0825 -0.5002 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -0.5723 -0.5000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 0.0001 1.4304 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 5 1 0 0 0 0 3 5 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ E0X2JN -OEChem-05082103143D 34 36 0 0 0 0 0 0 0999 V2000 -0.2492 -2.9264 -0.3047 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3999 -0.2500 -0.5384 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0037 -0.0858 0.5451 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9407 0.3410 -0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2689 -0.0770 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9307 -0.6254 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5478 -1.4489 0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6618 1.7129 -0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 -1.9843 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2791 0.8894 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 -2.3953 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6777 2.6593 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9838 2.2483 0.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3299 -0.6753 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3346 0.2893 0.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 -0.2845 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6456 1.6418 0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0161 -2.1308 0.2797 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9610 1.0692 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9611 2.0324 -0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 -1.7929 0.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6572 2.0770 -0.4627 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 0.5910 0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7761 -3.4504 0.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 3.7174 -0.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7744 2.9855 0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4358 -1.0226 -0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 2.4004 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9241 -2.7277 0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3749 -2.3267 1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5189 -2.4846 -0.6288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9851 1.3735 -0.3999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2069 3.0864 -0.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6416 -3.8094 -0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 9 2 0 0 0 0 7 11 2 0 0 0 0 7 21 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 16 19 1 0 0 0 0 16 27 1 0 0 0 0 17 20 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$ E0X5RB -OEChem-05082103123D 22 22 0 0 0 0 0 0 0999 V2000 2.0620 -0.6049 1.2199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5612 -0.0023 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0697 0.0034 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2192 1.4006 -0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1086 -0.8471 -1.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.2135 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6326 -1.2012 0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0178 1.2191 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 -1.1956 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7200 0.0145 -0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3119 1.3088 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9639 1.9481 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9438 2.0014 0.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 -0.8360 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7585 -0.4663 -2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.9023 -1.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1298 2.1787 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1194 -2.1575 0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7554 -1.5266 1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5579 2.1608 -0.0769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5747 -2.1332 0.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8060 0.0188 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 10 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 M END $$$$ E0X8DD -OEChem-05082103273D 16 15 0 1 0 0 0 0 0999 V2000 0.2674 -1.1369 -1.2439 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 -0.6853 1.5063 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2574 1.3538 0.5057 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.1344 -0.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7464 -0.7589 -0.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7354 -0.6706 0.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.0996 -0.6013 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5071 0.3058 0.5085 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9524 0.1710 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9463 0.1871 0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4199 0.8742 -1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3863 1.2793 0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4451 -1.8528 -0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -1.5583 1.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 1.3682 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1924 1.0451 -1.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 16 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ E0XB9Z -OEChem-05082103043D 7 6 0 0 0 0 0 0 0999 V2000 1.1443 0.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2574 0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1130 -0.4226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7938 -0.1493 0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1865 1.2719 0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7928 -0.1468 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1478 -1.5252 -0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 M END $$$$ E0XG3Z -OEChem-05082103063D 24 23 0 1 0 0 0 0 0999 V2000 -2.7908 -1.6235 -0.3318 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 0.2615 0.6609 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5026 1.7690 -0.0718 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8579 -0.3942 0.2918 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1674 0.3292 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 -0.2958 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 -0.3826 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4135 0.3533 -0.4323 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6883 0.3006 -0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 -0.3175 0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 1.3818 0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 0.3162 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2045 -0.2620 1.2554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1479 -1.3614 -0.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 -1.4306 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -0.3832 1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 0.2891 -1.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 1.3445 0.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7326 0.2970 -1.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 1.8676 0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 2.1750 -0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8417 -0.3724 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 0.1029 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6273 -2.0269 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 10 2 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END $$$$ E0XP0L -OEChem-05082103223D 42 42 0 0 0 0 0 0 0999 V2000 -0.3068 -0.5308 0.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3826 -2.5117 0.6148 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8413 2.8574 0.5853 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0681 -1.0954 -0.9498 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 1.6086 -0.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5387 0.2958 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9564 -0.2754 0.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4444 -0.7543 0.1809 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 0.7588 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0532 -0.1357 0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4383 0.1194 -0.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9567 -1.1634 0.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5269 1.1336 -0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -1.3231 0.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -0.5467 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7754 -1.1949 -0.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 0.7990 0.4564 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 1.5284 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9522 -0.4655 -0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9786 0.8961 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4235 1.0927 0.7211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 0.7620 -1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 -0.7037 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0536 -1.1014 -0.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5579 -1.2092 1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5608 -1.5556 -0.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8808 1.2125 -1.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9902 1.5641 0.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 0.3060 -0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9372 0.6912 0.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6218 -0.3142 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4920 -0.6987 -0.8973 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 -1.5724 1.3091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -1.9812 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5213 1.9515 0.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3904 1.5605 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5111 0.6558 -0.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7521 -2.2549 -0.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 1.2991 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9586 3.1219 0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8624 -2.0335 -1.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9588 2.5313 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 2 0 0 0 0 3 18 1 0 0 0 0 3 40 1 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 20 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 19 20 2 0 0 0 0 M END $$$$ E0XR9O -OEChem-05082103083D 27 27 0 0 0 0 0 0 0999 V2000 -0.3282 0.2656 0.6148 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4277 0.7884 -0.0368 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8242 0.3830 -1.7335 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5833 0.0655 0.4836 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -1.5392 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 0.9140 0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0097 -0.0755 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 0.5568 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -1.4201 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6282 2.3614 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 -0.7889 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6799 -1.7772 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 0.4570 -0.3919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2792 -0.1906 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 1.3142 -0.1619 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6048 -2.1975 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0731 2.5534 1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5219 2.9943 0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0239 2.6770 -0.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 -1.0672 -0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 -2.8249 -0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5305 0.5597 -2.4397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1074 0.1543 -2.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9132 1.0152 0.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 -0.6841 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1155 -1.8939 -0.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7631 -2.2242 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 2 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 14 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 9 2 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 M END $$$$ E0XX6I -OEChem-05082103083D 15 14 0 0 0 0 0 0 0999 V2000 -1.1444 -0.6878 0.0001 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6224 1.5540 0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1128 -0.1101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4058 -1.5793 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2953 0.3757 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0832 0.8155 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5398 -0.3681 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9825 -2.0559 0.8904 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9821 -2.0563 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -1.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.5249 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8768 1.8806 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1031 -1.3051 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7981 0.1974 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 0.1975 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 5 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E0Y4VO -OEChem-05082103053D 42 42 0 0 0 0 0 0 0999 V2000 0.2543 -1.3257 0.9179 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2442 1.3244 -0.9152 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1816 0.3910 2.3883 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1826 -0.3919 -2.3887 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1854 -2.7400 0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1843 2.7410 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -2.4224 -0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4621 2.4249 0.6099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 -1.5804 1.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4956 1.5808 -1.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 -0.1464 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7581 0.1466 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1887 -3.5660 -1.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 3.5692 1.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -0.3086 1.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5133 0.3055 -1.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9656 -0.2931 1.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9664 0.2925 -1.3636 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1739 -0.1471 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1742 0.1458 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -2.9728 1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5456 -3.6293 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1214 2.9735 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 3.6298 -0.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0723 -1.5148 -0.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5252 -2.2309 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0721 1.5174 0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 2.2336 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3201 -1.8455 2.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1267 -0.6847 1.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 1.8431 -2.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 0.6824 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -4.4836 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3778 -3.3167 -2.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 -3.7660 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 4.4867 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3780 3.3209 2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1514 3.7690 0.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9789 -0.5228 2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 0.5219 -2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1143 -0.2616 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1150 0.2597 -1.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 M END $$$$ E0Y7QF -OEChem-05082103093D 22 21 0 1 0 0 0 0 0999 V2000 1.1653 1.2597 0.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 1.2625 0.1778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1432 -0.0663 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2154 -0.7369 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4532 -0.0690 -0.3015 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2735 -0.8536 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 0.0363 -1.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -0.8326 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3471 -0.7301 1.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1805 -1.7864 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3718 -0.0327 -1.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 -1.8820 0.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1318 -0.8836 1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -0.3743 0.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4139 0.4421 -1.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3426 -0.9407 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7153 0.7256 -1.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 -1.8642 -0.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8745 -0.8463 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5992 -0.3427 -0.3726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0334 1.6512 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8285 1.7701 -0.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 21 1 0 0 0 0 2 5 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 M END $$$$ E0YA3D -OEChem-05082103053D 14 13 0 0 0 0 0 0 0999 V2000 2.8998 -0.8740 0.0114 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8946 0.8812 0.0123 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1380 1.2670 -0.0078 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1461 -1.2651 -0.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -0.5438 0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 0.5341 -0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9192 0.0626 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9199 -0.0620 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4392 -1.1857 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -1.1642 0.9035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.1567 -0.9023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4342 1.1747 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7932 -0.4688 0.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7906 0.4818 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 3 7 2 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 M END $$$$ E0Z0TY -OEChem-05082103073D 45 46 0 1 0 0 0 0 0999 V2000 -0.1247 -0.3784 -0.3919 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6785 0.3057 1.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 1.2964 -0.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5026 -2.1944 1.1603 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3847 -2.8811 -0.5439 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1414 -2.1228 -0.9927 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 0.7282 -1.1004 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2965 -2.1309 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3002 0.5107 0.0765 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6821 3.2878 -1.4875 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0640 2.9850 1.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -0.0593 0.1344 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0246 -1.3204 0.1584 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0183 -0.7970 0.6380 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8068 1.0253 -0.7310 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0402 -1.8240 0.1475 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0825 -1.1885 -0.7706 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6762 0.0647 -0.1243 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4812 -0.9874 0.4819 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5730 1.0012 0.3868 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9923 0.1670 -0.3801 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0229 2.3327 -0.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1405 2.1795 1.1735 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 0.3323 1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -1.8581 -0.7946 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4763 -1.2861 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8637 0.7066 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5564 -2.2685 1.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6501 -0.9634 -1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 -0.2255 0.7046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0009 1.4057 -0.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5753 -0.7572 1.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 -0.1220 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9730 2.7322 0.3419 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 2.2108 -1.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6917 1.8422 2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8036 2.7936 0.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 -2.9820 1.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8788 -2.4879 -1.2756 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7219 -1.7531 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2455 0.1644 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 -1.8873 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3143 0.4499 1.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5859 3.3916 -1.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4758 2.4236 2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 14 1 0 0 0 0 2 20 1 0 0 0 0 3 15 1 0 0 0 0 3 21 1 0 0 0 0 4 13 1 0 0 0 0 4 38 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 17 1 0 0 0 0 6 40 1 0 0 0 0 7 18 1 0 0 0 0 7 41 1 0 0 0 0 8 19 1 0 0 0 0 8 42 1 0 0 0 0 9 21 1 0 0 0 0 9 43 1 0 0 0 0 10 22 1 0 0 0 0 10 44 1 0 0 0 0 11 23 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 19 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 22 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 23 1 0 0 0 0 20 31 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$ E0Z6QA -OEChem-05082103043D 14 14 0 0 0 0 0 0 0999 V2000 2.8466 -0.3870 0.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3437 1.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1013 -1.0787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7147 1.0393 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2698 -1.3354 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 -0.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 0.5050 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0016 2.3267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7902 -1.9194 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4218 1.8637 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6308 -2.3599 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 -0.4764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 1.5653 -0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 7 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 M END $$$$ E0ZB1O -OEChem-05082103373D 27 26 0 1 0 0 0 0 0999 V2000 0.3726 -0.2004 0.3392 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 1.3719 0.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.1445 -1.3407 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 -0.1499 0.6019 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8772 0.8475 -0.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7493 -1.3998 1.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7951 -0.5750 -0.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5665 -0.5165 -0.3837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -0.0360 0.4159 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1420 2.1201 -0.5342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 -0.3174 -0.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5904 0.3240 1.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2954 0.3858 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 1.1152 0.5107 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1697 -1.9090 0.1282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0989 -2.1146 1.5185 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -1.1452 1.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7729 -0.5038 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -0.0030 -1.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -1.5994 -0.5434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6961 2.6062 0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 2.8267 -0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 1.9160 -1.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1043 0.2049 -1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9269 0.0475 0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 -1.3890 -0.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4116 1.6637 1.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 9 1 0 0 0 0 2 27 1 0 0 0 0 3 7 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 M END $$$$ E0ZC1W -OEChem-05082103073D 17 16 0 1 0 0 0 0 0999 V2000 0.6999 -1.5909 0.8956 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0189 -0.9167 -0.8203 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1454 -0.6098 -1.0603 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7805 1.6834 0.0854 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1032 0.1565 1.1081 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 0.7436 0.3906 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5174 1.0666 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2275 -0.6457 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.1130 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4822 0.8127 1.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8691 2.0889 -0.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2732 0.9867 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0356 1.6193 -0.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 1.4403 0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 0.7905 1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -0.4370 1.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0341 -2.4882 0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 17 1 0 0 0 0 2 8 2 0 0 0 0 3 9 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 M END $$$$ E0ZJ4T -OEChem-05082103113D 50 50 0 0 0 0 0 0 0999 V2000 -0.3231 2.2623 -0.7496 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.6489 0.5280 0.5393 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 1.3227 0.5331 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2442 -2.2102 -0.1532 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.8921 -1.6812 -0.3075 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 1.4350 0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2772 2.2521 -0.2553 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4027 -0.9920 -0.1346 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5961 -0.1585 -0.2372 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2418 -1.4773 -0.3044 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 1.4935 -2.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9306 4.0400 -0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0718 0.3583 2.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0989 1.3758 -0.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0790 2.2272 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9418 1.0833 2.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5596 -3.3699 -1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3391 -3.2121 1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4439 -2.7116 1.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 -2.5651 -1.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1229 0.4569 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1363 2.0515 -3.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5079 1.5077 -2.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3251 4.5986 -1.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8642 4.5413 0.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9729 4.0657 -1.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9674 -0.2557 2.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -0.1127 2.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 1.3409 2.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0154 0.7940 -0.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2590 2.3733 0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9148 1.4793 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4092 2.3975 -0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 3.1962 1.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 1.6390 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 0.5605 2.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6997 0.4953 2.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8469 2.0508 2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8145 -4.1706 -1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5509 -3.8255 -1.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5084 -2.8264 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3414 -3.6306 1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -4.0387 1.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1137 -2.5843 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0321 -3.7233 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5348 -2.7871 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1069 -2.2584 2.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 -3.5623 -1.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 -2.0008 -2.7574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5296 -2.6738 -1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 M END $$$$ E0ZW5O -OEChem-05082103053D 15 14 0 0 0 0 0 0 0999 V2000 -2.5643 -1.1122 -0.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5894 -1.1006 -0.0144 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0101 0.0930 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2765 0.9464 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 0.9357 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5361 0.1137 0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 0.1241 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 -0.5383 0.9168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0087 -0.5968 -0.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 1.5620 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 1.6128 0.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2866 1.5575 -0.9086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2868 1.6015 0.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4754 0.6932 0.0135 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.7209 0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 M END $$$$ E00ARE -OEChem-05082103133D 54 54 0 0 0 0 0 0 0999 V20