B7ISC2 -OEChem-04022109122D 45 47 0 0 0 0 0 0 0999 V2000 4.6038 0.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0622 0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 -1.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -1.1377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4641 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3301 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 0.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3740 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4679 -1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1961 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 -0.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0656 -0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8626 -0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1995 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7286 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9316 0.8373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7320 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3812 -2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1340 -2.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9322 -1.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5970 1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 1.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -2.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.4114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5991 0.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 22 1 0 0 0 0 2 12 1 0 0 0 0 2 39 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 45 1 0 0 0 0 5 21 2 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 6 35 1 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 18 1 0 0 0 0 11 19 2 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 14 21 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 17 2 0 0 0 0 15 34 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 2 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 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$