D1TS9A -OEChem-01102402233D 64 67 0 1 0 0 0 0 0999 V2000 -1.7336 -4.3911 0.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2335 -3.7211 0.3867 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6201 1.1721 1.5453 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9398 2.6178 0.4208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6082 -1.2894 0.4551 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9565 -0.0819 -2.0064 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6588 0.6855 -3.0687 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6848 -0.5519 0.4324 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5309 -0.1629 -1.2612 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4162 0.8458 0.8010 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1111 0.5292 1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 0.1249 2.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2872 2.0516 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7571 0.1506 0.4360 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2785 1.0333 3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3305 2.2716 2.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2335 -0.1182 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5818 0.6746 -0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0491 1.9153 -1.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 -1.8876 0.4359 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 1.8918 -2.7416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1057 -1.5858 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1675 -3.3293 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5361 3.0013 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -3.0055 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9239 0.1991 -4.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9861 -0.4136 -0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 0.4437 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -1.1459 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1681 0.5324 -0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -0.9862 -1.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1981 1.4079 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7266 -0.5814 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4685 1.7034 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 0.3160 3.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4494 -0.9325 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5976 2.5131 0.1797 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3603 2.5315 1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9724 0.5905 1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0487 1.2929 4.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2521 0.5299 3.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3302 2.3748 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1274 3.1879 2.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2501 0.2336 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2162 0.1498 0.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2189 -1.2106 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4532 -1.8498 0.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8223 2.6149 -3.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3159 3.7445 -0.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 3.5162 -1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1573 2.6328 0.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3508 -0.7191 -4.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 0.9529 -5.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9955 0.0028 -4.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 0.3512 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6243 -1.8106 -1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 -1.5303 -2.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3816 1.7094 1.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3371 -0.7727 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2915 -0.8559 1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8273 -1.1989 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6610 1.4261 2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 1.5544 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1869 2.7586 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 25 2 0 0 0 0 3 28 1 0 0 0 0 3 58 1 0 0 0 0 4 32 2 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 18 2 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 8 55 1 0 0 0 0 9 30 2 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 17 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 16 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 15 16 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 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 48 1 0 0 0 0 22 25 1 0 0 0 0 23 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 32 1 0 0 0 0 31 57 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 M END $$$$