LB3CK4 -OEChem-05022323203D 47 47 0 1 0 0 0 0 0999 V2000 -0.3162 2.4471 0.1625 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.9099 2.1241 0.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 3.4047 -1.1432 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 3.1649 1.4149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 1.4461 -3.0174 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4979 1.1832 -2.9145 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2855 0.8713 3.0657 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4377 0.5730 0.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3624 1.6282 1.2137 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0266 0.5072 -1.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 -1.7898 2.2495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 1.0491 -0.2051 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1587 -0.6994 0.2901 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7981 1.1466 -0.8481 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7157 -0.0311 -0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9117 -0.2929 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1331 0.1872 0.8776 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5072 1.5075 1.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5801 1.2558 -2.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6036 0.8298 1.7481 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2137 0.4197 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4478 -1.6266 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4616 -2.4473 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6545 -2.9675 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6518 -2.6975 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5804 -3.7377 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2740 -3.4679 -1.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3902 -3.9879 -1.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2756 2.0793 -0.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -0.9443 -0.9421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6995 0.1282 -0.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0421 0.2953 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 -1.1942 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9411 -0.4616 1.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5785 -0.3140 1.7447 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2655 2.1915 1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7585 1.3416 2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 -0.5751 -0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 4.3233 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 1.5145 -3.9856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8217 -2.7818 2.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5216 -2.3382 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7366 1.6093 3.5283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1334 0.7455 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4504 -4.1411 0.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1231 -3.6683 -2.8304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1108 -4.5880 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 3 39 1 0 0 0 0 5 19 1 0 0 0 0 5 40 1 0 0 0 0 6 19 2 0 0 0 0 7 20 1 0 0 0 0 7 43 1 0 0 0 0 8 21 1 0 0 0 0 8 44 1 0 0 0 0 9 20 2 0 0 0 0 10 21 2 0 0 0 0 11 22 2 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 22 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$