BAD83C -OEChem-04012114243D 44 48 0 0 0 0 0 0 0999 V2000 -1.2849 2.9176 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 2.4317 -0.0087 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7112 -1.5154 0.2494 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9413 2.7211 0.0565 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5199 0.0848 -0.0364 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6865 -0.9318 0.1198 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8963 -2.3630 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 -3.7942 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -2.7735 -0.9044 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7536 -0.1066 0.1842 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 0.6804 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9908 0.5299 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1971 0.3723 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7638 2.0618 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3918 1.4760 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0195 1.9118 0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0496 1.4227 -0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -0.9835 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9364 -0.1920 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4471 -1.3263 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7799 0.6776 -0.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -0.7254 -0.2231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8147 -1.5937 0.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1476 0.4101 -0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1269 -1.0110 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8953 -0.3814 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4695 -2.1804 1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4260 -4.5208 0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 -4.1757 -0.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2644 -2.4722 -1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7316 -2.8101 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7869 -1.9337 0.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9316 -0.0063 0.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9725 2.4339 0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0649 -1.9840 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8309 -2.0046 1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 1.5398 -1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2077 -2.4755 0.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7984 1.0881 -1.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2969 -2.0949 -0.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5373 -0.6452 -1.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7826 0.7080 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9619 -0.6130 0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5392 -0.7610 1.8333 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 17 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 32 1 0 0 0 0 4 14 2 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 13 1 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 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 14 1 0 0 0 0 12 16 2 0 0 0 0 12 33 1 0 0 0 0 13 15 2 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 18 35 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 36 1 0 0 0 0 21 24 2 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$