RDKit 3D 82 83 0 0 0 0 0 0 0 0999 V2000 -4.3281 -3.3134 -0.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0035 -1.8679 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8239 -0.9322 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7357 0.5300 -0.2261 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1155 1.1860 -0.3235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7854 1.2327 -1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 2.3542 -0.4435 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0513 3.3427 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 3.0972 -1.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 2.8971 -1.8765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 2.9342 -3.1211 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 2.6329 -0.9291 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0578 3.7779 0.0588 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2236 3.7358 1.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 5.0110 -0.5977 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0106 1.3338 -0.3488 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7438 0.6840 0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1559 0.3115 1.6845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1978 0.3127 0.5999 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9512 0.7344 -0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 0.3201 -0.4682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2099 1.1441 0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 0.8570 0.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0759 -0.2819 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4212 -0.5558 0.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2682 -1.1258 -0.8839 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 -2.6895 -1.6663 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9181 -0.8054 -1.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3781 -1.0514 1.0392 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5703 -1.2027 2.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 -2.2257 0.2826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3038 -3.0792 0.6081 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -2.6766 -0.8315 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2468 -4.1760 -0.7346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3816 -1.9195 -1.1198 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9550 -2.1347 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7723 -1.8714 -1.7915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6489 -2.6041 0.3686 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8299 -3.0456 1.5262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7581 -1.6649 0.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4427 -3.4099 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 -3.9900 0.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8172 -3.6705 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6973 -1.2664 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4013 0.7055 0.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1700 1.6674 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2682 1.8858 0.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8464 0.3266 -0.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1175 0.5652 -1.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4008 1.7570 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4759 2.0085 0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3205 3.0830 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5229 4.3398 0.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8821 3.5279 -0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 2.7961 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9093 3.8032 0.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 3.8241 0.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1246 4.6460 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 2.8624 1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2541 5.7400 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8456 0.7518 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6038 1.0001 1.4241 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9726 1.8663 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5068 0.3823 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8496 2.0478 0.7334 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1981 1.5096 0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0333 0.0461 0.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3352 -1.4860 -1.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2238 -0.3855 2.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5977 -1.0900 3.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0434 -2.1487 2.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -2.6309 -1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 -4.5112 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7614 -4.7817 -1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1572 -4.2805 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5891 -1.0236 -1.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1988 -3.5420 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5693 -4.1424 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 -2.4063 1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5433 -3.0140 2.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 -0.6143 0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9932 -1.9544 1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 14 13 1 0 13 15 1 0 13 12 1 0 12 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 2 0 19 29 1 0 29 30 1 0 29 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 38 40 1 0 40 2 1 0 2 1 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 28 21 1 0 14 57 1 0 14 58 1 0 14 59 1 0 13 56 1 1 15 60 1 0 12 55 1 6 16 61 1 0 19 62 1 1 20 63 1 0 20 64 1 0 22 65 1 0 23 66 1 0 25 67 1 0 28 68 1 0 30 69 1 0 30 70 1 0 30 71 1 0 33 72 1 6 34 73 1 0 34 74 1 0 34 75 1 0 35 76 1 0 38 77 1 6 39 78 1 0 39 79 1 0 39 80 1 0 40 81 1 0 40 82 1 0 1 41 1 0 1 42 1 0 1 43 1 0 3 44 1 0 4 45 1 1 5 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 1 8 52 1 0 8 53 1 0 8 54 1 0 M END