E07ITM -OEChem-05082103152D 68 70 0 1 0 0 0 0 0999 V2000 12.7425 3.4366 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 7.0628 1.1616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -3.3907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7640 3.2303 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 12.1212 1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 -0.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9288 -1.3384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 -1.8384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1968 -1.3384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2868 -1.8452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -0.0337 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0628 0.1616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1968 -0.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2787 -2.8868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8750 -1.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0789 -2.8799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4586 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3599 -1.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1857 0.9169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3433 -3.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2945 -0.8453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4120 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -2.8941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1642 1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5179 1.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4534 2.2798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0188 -2.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9329 -0.9134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 0.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 0.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9847 0.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -0.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2820 -3.7368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6240 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4124 -1.9524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -3.4603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 -2.7644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -1.2531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9195 -0.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 -3.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 -3.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7681 -0.8145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.7991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5488 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 1.2816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3088 0.6616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 1.5062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7443 -3.9094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -0.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2993 -0.2253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -0.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2075 -1.2238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8004 -1.9105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -2.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5259 1.4716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1848 0.5034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9793 2.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1038 2.1226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0564 1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4543 2.6933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8611 2.1610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 2 1 6 0 0 0 2 60 1 0 0 0 0 25 3 1 6 0 0 0 3 66 1 0 0 0 0 4 29 1 0 0 0 0 5 29 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 20 1 1 0 0 0 7 8 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 6 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 1 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 32 1 6 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 10 23 1 1 0 0 0 11 17 1 0 0 0 0 11 21 1 0 0 0 0 11 33 1 6 0 0 0 12 13 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 14 18 1 0 0 0 0 14 22 1 0 0 0 0 14 37 1 1 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 24 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 21 26 1 0 0 0 0 21 27 1 6 0 0 0 21 51 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$