B3MS6D -OEChem-04022105182D 53 56 0 0 0 0 0 0 0999 V2000 5.8669 0.8189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8541 2.5584 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9844 3.0519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.9972 1.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.7238 2.0648 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7366 0.3254 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1147 3.5455 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1275 1.8061 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5935 1.5712 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.6063 -0.1682 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 4.0391 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 2.2997 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.8319 0.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0194 3.1566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0046 5.1565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9770 -0.7921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8743 4.6629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3605 1.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4908 2.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2302 1.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -2.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6211 2.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -3.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0999 0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 -2.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6079 -2.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8467 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 -4.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6079 -4.3120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7514 3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9696 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9819 -2.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 -1.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6988 -0.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9819 -3.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5140 -3.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8467 -5.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5701 -5.3030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6988 -5.7765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8817 3.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -2.4673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4424 -1.1060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0969 -0.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6865 -0.1583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 -4.0873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 -2.4445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0497 -4.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 -5.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0969 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6865 -6.3964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4089 4.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 20 1 0 0 0 0 7 22 1 0 0 0 0 8 22 1 0 0 0 0 9 24 1 0 0 0 0 10 24 1 0 0 0 0 11 30 1 0 0 0 0 12 30 1 0 0 0 0 13 31 2 0 0 0 0 14 41 2 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 27 1 0 0 0 0 16 31 1 0 0 0 0 16 43 1 0 0 0 0 17 41 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 26 2 0 0 0 0 22 30 1 0 0 0 0 23 28 1 0 0 0 0 23 29 2 0 0 0 0 24 31 1 0 0 0 0 25 27 2 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 26 36 1 0 0 0 0 27 34 1 0 0 0 0 28 35 1 0 0 0 0 28 38 2 0 0 0 0 29 37 1 0 0 0 0 29 39 1 0 0 0 0 30 41 1 0 0 0 0 32 35 2 0 0 0 0 32 42 1 0 0 0 0 33 34 2 0 0 0 0 33 44 1 0 0 0 0 34 45 1 0 0 0 0 35 46 1 0 0 0 0 36 37 2 0 0 0 0 36 47 1 0 0 0 0 37 48 1 0 0 0 0 38 40 1 0 0 0 0 38 49 1 0 0 0 0 39 40 2 0 0 0 0 39 50 1 0 0 0 0 40 51 1 0 0 0 0 M END $$$$