BG4R3Q -OEChem-04022102483D 35 36 0 0 0 0 0 0 0999 V2000 1.2580 -2.6816 1.0982 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0865 2.5924 -1.2386 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.8901 0.2074 0.1524 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.1647 -1.9222 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4230 -1.1477 0.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3501 1.1551 -0.8531 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3171 1.1127 0.8945 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0486 -0.1097 -0.1287 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1070 0.9005 1.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2759 -0.6796 -0.6146 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1487 0.1142 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3659 -0.0343 -0.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4886 -1.0266 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4172 1.1809 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0973 -1.1009 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0258 1.1065 -0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -0.9430 -0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3798 0.2446 0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9263 0.2850 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1073 1.4052 0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0463 -0.9551 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5017 1.3662 0.4893 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4406 -0.9941 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1682 0.1665 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0556 -1.8569 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9283 2.0743 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4807 0.7867 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4854 0.3001 2.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4342 1.8733 1.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -1.2783 -1.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 2.3507 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5224 -1.8905 -0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0684 2.2699 0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9602 -1.9297 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2538 0.1357 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 4 17 2 0 0 0 0 7 19 2 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 31 1 0 0 0 0 21 23 2 0 0 0 0 21 32 1 0 0 0 0 22 24 2 0 0 0 0 22 33 1 0 0 0 0 23 24 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 M END $$$$