BJF94M -OEChem-04022109042D 41 43 0 1 0 0 0 0 0999 V2000 6.1808 0.2852 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4669 -2.7204 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6698 -0.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.1216 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7026 -0.3729 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 -1.4944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6579 -4.1216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5714 -3.7149 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6216 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -0.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 -1.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4888 -2.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 -3.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9942 -3.4830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 4.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 4.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 2.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.2042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 2.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.7293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.5847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 1.6348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7231 -1.9960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9294 -2.8664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3776 -3.5478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 19 2 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 18 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 17 37 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$