B9OSM1 -OEChem-04012118252D 45 47 0 0 0 0 0 0 0999 V2000 5.2152 -2.0359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8866 -1.2882 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5044 0.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -2.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 1.2684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -1.2312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2152 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7988 -1.2312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 0.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1687 2.2189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8795 1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 2.9632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2117 1.8065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2988 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -2.0972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8866 -2.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8377 -2.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8377 -1.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 0.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 0.2438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -0.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -2.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -2.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7156 1.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5512 2.7068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3532 0.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1108 0.4869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1088 -0.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9623 3.3773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 3.4247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0394 2.5492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6731 2.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 2.2679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7502 1.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 -3.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3392 -2.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3392 -1.2328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 21 1 0 0 0 0 2 24 1 0 0 0 0 3 15 2 0 0 0 0 4 20 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 31 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 16 18 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 M END $$$$