BY29BS -OEChem-04022102212D 51 54 0 1 0 0 0 0 0999 V2000 5.2041 -6.2770 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 -0.7382 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5652 1.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4730 1.7934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4839 2.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 3.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9016 1.2980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 6.2770 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0725 5.9169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 0.0709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0132 -1.6892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 5.6079 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.8742 0.7753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8742 0.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1832 1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2864 -0.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3742 2.3142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7041 -0.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 0.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 -2.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3951 -1.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 -3.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -3.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -3.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4894 2.1070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -4.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -4.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0827 3.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 -5.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 3.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9136 4.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 0.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8094 0.1587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4807 0.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7497 1.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4932 2.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1156 -0.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8437 -0.3055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 2.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9594 2.7749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 0.9389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 0.4704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8055 -1.8808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 -3.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 -3.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6071 -5.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8012 -5.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 2.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 18 1 0 0 0 0 2 22 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 19 2 0 0 0 0 5 20 1 0 0 0 0 5 26 1 0 0 0 0 6 29 1 0 0 0 0 6 33 1 0 0 0 0 7 26 2 0 0 0 0 8 12 1 0 0 0 0 9 12 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 18 2 0 0 0 0 11 21 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 20 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 46 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 26 29 1 0 0 0 0 27 30 2 0 0 0 0 27 48 1 0 0 0 0 28 30 1 0 0 0 0 28 49 1 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 31 50 1 0 0 0 0 32 33 2 0 0 0 0 32 51 1 0 0 0 0 M CHG 2 8 -1 12 1 M END $$$$