B9VGY7 -OEChem-04022110493D 50 53 0 0 0 0 0 0 0999 V2000 -3.0354 -3.1594 0.2668 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 -3.0408 -0.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3726 -1.2500 -1.8433 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 0.2110 -0.0324 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1957 1.1840 -0.1334 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3507 0.6004 0.5529 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6310 -0.6863 1.3241 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -0.7776 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6409 0.4588 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4094 0.3557 0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7966 1.5921 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6299 -0.8131 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4204 1.6275 -0.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 -1.9459 -0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2648 0.4934 -0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5042 -0.6761 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1078 -1.8942 -0.2989 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7853 0.3211 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5768 2.7602 -0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9198 -0.5977 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5458 1.4906 0.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9423 2.7086 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0719 0.4570 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0539 -3.5534 1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6485 1.3017 0.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8685 -0.1456 -1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0219 1.5437 0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2419 0.0967 -1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8187 0.9412 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 0.3962 0.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1185 -1.7600 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9477 2.5821 -0.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7883 1.4435 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2784 -0.6202 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1257 3.7237 -0.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6089 1.4494 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5336 3.6195 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1765 0.6839 0.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 -2.8519 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6019 -4.4965 1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5586 -2.8062 2.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0347 -3.7127 2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0391 1.7776 1.6546 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 -0.8104 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 2.2037 1.6084 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8555 -0.3765 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7667 1.3617 0.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9764 -0.0011 1.0774 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 -0.9756 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 -1.2330 1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 24 1 0 0 0 0 2 17 1 0 0 0 0 2 39 1 0 0 0 0 3 20 2 0 0 0 0 4 20 1 0 0 0 0 4 23 1 0 0 0 0 4 38 1 0 0 0 0 5 29 1 0 0 0 0 5 30 2 0 0 0 0 6 30 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 30 1 0 0 0 0 7 49 1 0 0 0 0 7 50 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 13 2 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 2 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 18 34 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 29 1 0 0 0 0 28 46 1 0 0 0 0 M END $$$$