RDKit 3D 56 59 0 0 0 0 0 0 0 0999 V2000 6.5078 -0.9585 1.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3438 -1.2852 0.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4496 -0.2626 0.4498 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3518 -0.5289 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -1.8155 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0389 -2.8393 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1209 -2.5786 0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2653 -4.0322 0.7402 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.4395 0.5874 -0.7404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8922 1.7198 -0.8983 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0767 0.3198 -0.8535 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 -0.5571 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9602 0.1644 0.3842 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7205 1.6302 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1883 1.3654 -1.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 2.4128 -0.4895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9344 3.9179 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5437 4.4082 -0.4177 N 0 0 0 0 0 4 0 0 0 0 0 0 0.4526 3.8329 0.5368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0326 2.4352 0.9891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0886 -0.5771 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5020 -0.2563 -1.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -1.6497 0.3842 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9001 -2.1762 -0.0096 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1151 -3.6071 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6036 -3.8892 0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3966 -2.3979 1.0158 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0130 -1.3711 0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9633 -0.1837 0.9514 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4534 -1.1543 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 0.0982 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4596 -1.5467 2.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6108 0.7520 0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3436 -2.0275 -1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 -3.8381 -0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9586 -0.6733 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 -1.5360 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1766 0.1498 1.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3707 0.9541 -2.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7262 2.2432 -1.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2306 2.2581 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 2.0303 0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 4.4696 -0.9324 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 4.1717 0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5281 5.4341 -0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 4.2270 -1.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5149 4.5143 1.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 3.8323 0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6272 2.5335 1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9173 1.9060 1.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 -1.6845 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0315 -2.1047 -1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 -4.3161 -0.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7898 -3.7269 1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8992 -4.0174 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8984 -4.7765 0.9157 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 4 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 13 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 7 2 1 0 15 11 1 0 20 14 1 0 28 24 1 0 1 30 1 0 1 31 1 0 1 32 1 0 3 33 1 0 5 34 1 0 6 35 1 0 12 36 1 0 12 37 1 0 13 38 1 1 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 19 47 1 0 19 48 1 0 20 49 1 0 20 50 1 0 23 51 1 0 24 52 1 6 25 53 1 0 25 54 1 0 26 55 1 0 26 56 1 0 M CHG 1 18 1 M END