LL5TG3 -OEChem-05032301513D 36 37 0 1 0 0 0 0 0999 V2000 -2.6434 3.0587 1.7807 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4538 3.1609 -0.1671 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1149 1.4691 1.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6582 -1.9634 0.6252 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 -2.3371 -0.9415 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7137 -0.5910 0.3834 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 0.4724 -0.3445 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4193 1.0812 -1.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9914 2.4365 -1.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 1.5927 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0921 -2.8367 0.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 -1.9241 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0022 -3.6659 0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0667 -2.8055 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1384 -0.7547 0.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1469 0.3422 1.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6179 -0.6215 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6348 1.5722 0.6135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1062 0.6085 -1.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1144 1.7053 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2723 0.1169 -0.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4026 1.2015 -0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 0.4322 -2.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8857 2.3319 -2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2617 3.0622 -2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1378 -0.3422 1.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8392 -3.5104 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6727 -2.2683 1.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4709 -4.2933 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4393 -4.3348 -0.4327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5957 -2.2361 -1.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8405 -3.4544 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7684 0.2275 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 -1.4563 -1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 0.7110 -2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4987 2.6565 -1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 3 10 2 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$