RDKit 3D 28 30 0 0 0 0 0 0 0 0999 V2000 5.5628 -1.7150 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6409 -0.6599 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 0.5143 0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5809 1.4140 0.9947 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6244 0.1961 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2779 -0.8308 -0.2029 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2602 0.2559 0.2239 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 1.2514 0.6861 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7807 2.2825 1.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 0.9612 0.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1106 1.6823 0.7306 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2133 0.9258 0.2571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6102 1.0875 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3887 0.0780 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8082 -1.0653 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4197 -1.2402 -0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6687 -0.2230 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3119 -0.2062 -0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2719 0.2705 -0.3733 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5931 -1.5240 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 -1.7562 -1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 -2.6926 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9737 0.8773 0.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.5438 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1318 2.6417 1.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0679 1.9731 0.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4335 -1.8358 -1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 -2.1186 -1.3141 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 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 17 18 1 0 14 19 1 0 6 2 1 0 18 10 1 0 17 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 3 23 1 0 7 24 1 0 11 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 M END