RDKit 3D 45 47 0 0 0 0 0 0 0 0999 V2000 -3.2718 3.4814 -1.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6602 3.5355 -1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4507 2.4818 -0.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8035 1.3732 -0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3961 1.2848 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6307 2.3728 -0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9966 -0.0025 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0089 -0.8083 0.8493 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2555 -0.0353 0.3298 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4274 0.0732 1.4283 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9631 -0.9454 -0.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6838 -0.2736 0.7015 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2244 -1.5390 1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2207 -2.6599 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6061 -2.2862 -1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 -1.6579 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 -0.4501 -1.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -2.6059 -0.7609 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0101 -2.0835 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -1.3588 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3828 -1.5575 1.7577 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1686 -0.3293 0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7977 0.9939 0.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7522 2.0080 0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 1.7011 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4349 0.3806 1.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4835 -0.6407 1.2585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0445 -2.4102 1.6579 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 4.3151 -1.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1387 4.4095 -1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5344 2.5177 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 2.3571 -0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9485 0.2912 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2102 -1.3939 1.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8313 -1.8355 2.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6852 -3.5189 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2485 -2.9969 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2487 -1.5808 -1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5234 -3.1692 -1.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3032 -1.4358 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6964 -2.9358 -0.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7702 1.2384 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 3.0380 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8118 2.4956 1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4659 0.1624 1.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 2 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 6 1 1 0 9 4 1 0 27 22 1 0 1 29 1 0 2 30 1 0 3 31 1 0 6 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 19 40 1 0 19 41 1 0 23 42 1 0 24 43 1 0 25 44 1 0 26 45 1 0 M END