BO1ST9 -OEChem-04022101112D 46 47 0 1 0 0 0 0 0999 V2000 8.8818 3.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.7408 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 1.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6908 3.3164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0728 4.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2940 3.0952 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7281 2.7043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9538 0.0682 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.6919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4696 4.7133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7172 2.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 1.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7117 2.3907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1349 1.7908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2995 3.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 0.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -1.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 3.0912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1599 2.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9585 1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6866 1.4144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 1.7948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 2.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 1.8556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4704 3.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7422 3.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5462 2.5288 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0926 3.2059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 2.7691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5704 0.0034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0862 4.6485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2174 5.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -1.8835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 6 1 0 0 0 0 1 10 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 16 2 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 14 7 1 1 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 38 1 0 0 0 0 9 17 2 0 0 0 0 9 18 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 15 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 41 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 24 2 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$