BS5D3M -OEChem-04022107302D 52 55 0 0 0 0 0 0 0999 V2000 8.9282 -0.4013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3615 2.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7187 0.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -2.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0723 1.5107 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 -0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7832 0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 -1.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7617 0.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0508 1.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7626 0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1693 0.4413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6761 -1.4013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6651 -2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.2187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7822 -0.0595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3755 0.4729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.0213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6636 -1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 -1.3762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6583 1.9722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9682 2.7953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 3 49 1 0 0 0 0 4 22 2 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 5 34 1 0 0 0 0 6 13 1 0 0 0 0 6 22 1 0 0 0 0 6 42 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 14 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 2 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 20 23 2 0 0 0 0 20 44 1 0 0 0 0 21 24 2 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 27 29 2 0 0 0 0 27 48 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$