BABI80 -OEChem-04042103313D 40 42 0 0 0 0 0 0 0999 V2000 5.0893 -2.4315 -0.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9232 3.9678 -0.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0008 -0.5850 0.2437 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7446 0.1938 0.1018 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.8064 -0.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -0.4481 1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7178 -1.9460 -0.2126 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 -1.0743 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9463 -2.5063 -0.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1076 0.4352 0.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 1.7027 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2434 1.1530 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1177 2.4437 -0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5601 2.8053 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0269 -0.5453 0.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5281 -0.6057 0.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2775 -0.4726 1.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1712 -0.7950 -1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6703 -0.5288 1.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5639 -0.8512 -1.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3134 -0.7182 -0.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4734 0.5843 1.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -0.9872 1.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4690 -2.5638 0.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 -1.9834 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6164 -0.5149 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2869 -1.0750 0.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -3.5587 -1.1733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1549 -1.9656 -1.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4508 -0.7613 0.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5915 1.9817 -0.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6039 3.2449 -0.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2491 1.5550 -0.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 -0.9565 1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6126 -1.1925 -0.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7882 -0.3228 2.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5987 -0.8981 -2.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2539 -0.4247 2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0649 -0.9980 -2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3978 -0.7617 -0.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 4 30 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 M END $$$$