BOHI90 -OEChem-04012113242D 55 59 0 1 0 0 0 0 0999 V2000 15.6672 2.5068 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4050 0.4827 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1671 -1.4224 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9050 1.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 -0.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9409 -2.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -0.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 -1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.1806 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.9718 -0.0286 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6730 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9409 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2710 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0749 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1370 0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2710 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0031 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0031 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1370 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8970 0.4480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8970 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8031 0.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8031 2.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0715 0.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2744 0.9576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 -1.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1496 -0.9097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5949 0.5653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1963 -0.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2744 -1.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0715 -1.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 1.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 1.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 1.6572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 1.2587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9174 -0.8975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6077 -1.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1370 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7341 2.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.1806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1370 3.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8898 -0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8898 3.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3388 0.6498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 7 1 0 0 0 0 2 21 1 0 0 0 0 3 19 1 0 0 0 0 3 22 1 0 0 0 0 6 15 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 25 1 0 0 0 0 10 17 1 0 0 0 0 10 22 2 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 2 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 26 1 0 0 0 0 23 47 1 0 0 0 0 24 28 2 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$