BS3U2I -OEChem-04012117192D 50 53 0 1 0 0 0 0 0999 V2000 2.6691 -1.3853 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1017 2.6283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 -2.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.9785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.4785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7910 1.6778 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8125 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4589 0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5018 0.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1697 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1482 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 -1.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0802 2.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4338 3.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4426 -1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -2.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -1.4785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 0.0160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3770 2.1392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7919 2.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0058 0.6414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8414 1.4214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1193 0.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5623 -0.4785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2080 2.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6869 2.9624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9523 3.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8953 3.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0198 3.8340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9724 2.9585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0626 -1.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0516 -3.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -3.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6438 -2.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9118 -2.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9856 -2.7885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 0.4309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 0.7903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 26 1 0 0 0 0 2 6 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 3 42 1 0 0 0 0 4 20 1 0 0 0 0 4 22 2 0 0 0 0 5 22 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 18 20 2 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 M END $$$$