B1J8GQ -OEChem-04022106433D 28 28 0 0 0 0 0 0 0999 V2000 -4.4568 1.3832 0.0003 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7625 -0.9718 -0.2536 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.1165 0.1406 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 -0.9195 0.1854 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4427 0.1516 -0.3783 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 0.0245 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4433 0.2792 0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 -0.0228 -0.4349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0029 1.1611 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8861 -1.2500 -0.1519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8783 0.3348 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3145 1.1173 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 -1.2938 0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9119 -0.1101 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 -0.7638 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5723 0.9968 -1.0659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7804 0.8770 -1.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 -0.8732 -1.5471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0939 0.9612 0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3322 -0.5570 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2587 1.1965 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5471 2.1229 -0.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3389 -2.1781 -0.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8704 2.0389 0.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6627 -2.2495 0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 -0.1443 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -1.8023 0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2247 -1.0031 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 4 1 0 0 0 0 2 28 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 19 1 0 0 0 0 4 11 1 0 0 0 0 4 27 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 9 22 1 0 0 0 0 10 13 2 0 0 0 0 10 23 1 0 0 0 0 12 14 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 M END $$$$