RDKit 3D 44 47 0 0 0 0 0 0 0 0999 V2000 0.6286 -3.0064 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5824 -2.0501 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.7152 0.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 -0.3573 0.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 -1.3066 0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7096 -2.6378 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5067 -0.9388 -0.1440 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5455 -1.8279 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5973 -3.0436 -0.3979 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7668 -1.0428 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0716 -1.4513 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0531 -0.4574 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6999 0.9092 -0.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3696 1.2982 -0.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 0.2854 -0.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9880 0.3564 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4506 1.4420 -0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7473 1.9355 -0.7711 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.4141 3.1162 -0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9013 1.5557 -1.0139 O 0 0 0 0 0 1 0 0 0 0 0 0 2.1779 0.3559 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7578 1.3304 1.5297 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4724 0.1357 0.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6317 0.9142 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6017 2.1288 1.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7677 2.8763 1.5934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 2.4116 1.0826 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 1.2050 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8601 0.4336 0.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 -0.8839 -0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1189 -1.2211 -0.9875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9001 -1.5631 -0.7038 O 0 0 0 0 0 1 0 0 0 0 0 0 8.5507 3.4254 1.3335 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9299 -4.0442 -0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6135 -2.3682 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4005 0.6911 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 -3.4360 -0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3186 -2.5053 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0876 -0.7548 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0669 2.3374 -0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 -0.7058 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6759 2.5193 1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 3.8155 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9706 0.8386 -0.0071 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 1 0 8 9 2 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 13 18 1 0 18 19 2 0 18 20 1 0 3 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 30 32 1 0 27 33 1 0 6 1 1 0 16 7 1 0 15 10 1 0 29 24 1 0 1 34 1 0 2 35 1 0 4 36 1 0 6 37 1 0 11 38 1 0 12 39 1 0 14 40 1 0 23 41 1 0 25 42 1 0 26 43 1 0 28 44 1 0 M CHG 3 18 1 20 -1 32 -1 M END