LA1U0T -OEChem-05032301233D 36 38 0 0 0 0 0 0 0999 V2000 1.1454 -3.7726 -0.2406 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.0075 1.6731 -1.1415 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1835 2.4711 -1.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.3921 -2.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1728 -0.2451 -2.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0281 -0.0496 0.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2041 2.3400 0.2289 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8985 0.3743 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 1.5603 0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9238 1.1372 0.1868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5015 -0.7535 -1.5841 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0788 -0.3247 -1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2698 -0.2666 0.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 0.1239 -0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7438 0.0343 2.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1449 -0.6664 -0.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3605 1.2202 2.2315 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6141 0.4570 2.8746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7796 -1.0123 -0.6061 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 0.0393 0.0906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2336 -2.2330 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 -1.1813 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4910 -2.3175 0.4915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 1.4671 -0.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5062 -1.7747 -1.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 -0.0564 -2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 2.9160 0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4780 -0.1049 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4721 -0.5757 2.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1837 -0.8895 -0.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 1.5412 2.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4904 0.1875 3.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -0.9568 -1.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 0.9127 0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2723 -1.2468 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -3.2608 0.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 5 12 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 15 2 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 13 16 2 0 0 0 0 13 28 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$