RDKit 3D 36 38 0 0 0 0 0 0 0 0999 V2000 4.4213 2.0015 1.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 0.8541 1.8224 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9766 -0.2897 1.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 -0.2955 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 0.8502 -0.3063 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5073 1.9994 0.4821 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3123 0.9414 -1.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9763 1.9723 -2.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 1.5487 -2.9226 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6845 0.3001 -2.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5203 -0.1486 -1.6029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5627 -0.6665 -3.3132 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5780 -2.0981 -2.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0106 -1.7249 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3216 -2.0397 0.1785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 -1.0791 -0.7409 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9286 -0.6119 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5051 -0.7798 1.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2746 -0.2738 2.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4688 0.4011 2.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9034 0.5749 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1323 0.0681 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 0.2246 -1.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9851 -1.8961 -1.0469 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5586 2.8993 2.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8654 0.8503 2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -1.1755 1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9420 2.9090 0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 -2.8454 -2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 -2.5573 -2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6823 -0.8429 -1.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5831 -1.2989 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9361 -0.4090 3.7836 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0586 0.7905 3.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 1.1009 1.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3556 0.7461 -1.1621 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 10 11 1 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 4 24 1 0 6 1 1 0 11 7 1 0 22 17 1 0 1 25 1 0 2 26 1 0 3 27 1 0 6 28 1 0 13 29 1 0 13 30 1 0 16 31 1 0 18 32 1 0 19 33 1 0 20 34 1 0 21 35 1 0 23 36 1 0 M END