D0U5JP -OEChem-10101305022D 49 52 0 1 0 0 0 0 0999 V2000 8.3780 -2.3388 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2938 -1.5222 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5822 -3.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1739 -1.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7953 3.3177 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5274 3.3177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.3177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 -2.5429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -1.7972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7123 -2.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -1.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -0.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -1.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 1.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -2.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -0.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3570 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6613 2.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0232 -2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6697 -1.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 -2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6486 -0.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3149 -1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5378 -2.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 -2.3277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9387 -2.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6029 -1.0962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4339 -0.3160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8742 0.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 0.5340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -3.1318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 1.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7394 1.9003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -2.5933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 0.5540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0508 1.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 1.2351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -2.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -0.6753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8294 -3.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2566 -0.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4153 -3.1385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8425 -0.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 23 1 0 0 0 0 2 29 1 0 0 0 0 5 24 1 0 0 0 0 6 24 2 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 9 8 1 1 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 13 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 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 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 15 18 2 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 21 1 0 0 0 0 18 40 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 24 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 1 5 -1 M END $$$$