B1OQ3C -OEChem-04012112472D 39 42 0 0 0 0 0 0 0999 V2000 4.7600 1.1428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8047 -0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -3.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 1.6566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 2.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 2.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1627 0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 3.2121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.1774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1953 -0.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 2.6774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.3524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -3.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2018 3.0103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6636 1.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2860 1.6504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6684 2.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6246 0.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4706 0.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7008 1.0966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7528 3.8320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 1.3674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 -0.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.9874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -3.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 4.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 -4.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 38 1 0 0 0 0 4 22 1 0 0 0 0 4 39 1 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 12 2 0 0 0 0 8 24 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 2 0 0 0 0 14 18 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$