B96DMH -OEChem-04022114163D 57 60 0 1 0 0 0 0 0999 V2000 3.4270 2.8278 0.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6213 -2.2445 0.2459 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2206 -3.2059 0.4321 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6121 -1.2504 3.5562 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4786 -0.8021 2.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6899 1.8265 -1.3076 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0971 2.9859 0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6366 1.4961 -1.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2841 1.9781 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9041 2.5138 -0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 2.6258 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7135 1.4993 -2.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1788 0.0667 -2.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.7471 -2.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 1.8292 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 3.3017 1.7501 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6915 -0.4328 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3619 0.4898 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.7586 -3.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8855 3.8110 2.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0301 3.6272 1.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1212 -1.7577 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5254 -2.0833 -3.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -2.5831 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 -0.6077 0.5705 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 0.3452 -0.2779 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 -2.2215 1.3813 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2727 -1.8495 0.6863 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 -0.8967 -0.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6109 -1.9939 0.3198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -3.6495 1.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3881 -1.3490 2.4463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4321 -4.2850 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 1.7463 -3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5733 2.1622 -2.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8956 -0.3111 -2.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2586 0.8044 -2.6194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 1.1462 -3.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 3.4276 2.3231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 0.2098 -0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6979 -0.3830 -4.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9301 4.3405 3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9815 4.0173 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4603 -2.7262 -4.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 -3.6161 -1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -0.5181 0.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2712 1.1865 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7747 -1.7984 1.1349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6607 -2.6588 1.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3667 -1.0037 -0.4504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1794 -4.2823 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9149 -3.7040 2.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 -4.0823 2.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1047 -4.1015 1.9606 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5946 -4.5142 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -5.1714 0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0295 -0.6913 4.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 22 1 0 0 0 0 2 27 1 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 32 1 0 0 0 0 4 57 1 0 0 0 0 5 32 2 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 10 1 0 0 0 0 7 21 2 0 0 0 0 8 9 2 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 11 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 2 0 0 0 0 13 19 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 18 1 0 0 0 0 16 20 2 0 0 0 0 16 39 1 0 0 0 0 17 22 1 0 0 0 0 17 40 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 23 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 26 29 2 0 0 0 0 26 47 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 33 54 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 M END $$$$