RDKit 3D 50 54 0 0 0 0 0 0 0 0999 V2000 4.7110 -1.0298 3.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4148 -0.4371 2.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -1.0777 1.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 -0.5407 -0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 0.6450 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7992 1.2698 0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0539 0.7331 1.6219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 1.1995 -1.8011 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4383 1.2347 -2.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5295 1.6381 -3.7188 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8481 1.9232 -3.8851 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5679 1.6441 -2.7274 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2224 1.7919 -2.6829 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1284 0.9119 -1.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7548 1.4056 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5017 1.0891 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4137 0.3084 -0.8314 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 -0.1693 -2.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2283 0.1396 -2.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 -0.0202 -0.2787 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8736 0.1205 -1.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0308 -0.2922 -0.5854 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1276 -0.8800 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -1.3334 1.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5208 -1.9051 2.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4116 -2.0219 3.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 -1.5749 2.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0317 -1.0042 1.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 -0.5417 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7511 -0.6820 1.7653 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6057 -2.7947 4.9280 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.8739 0.8439 -2.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9558 -0.2475 4.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -1.5718 3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5559 -1.7214 3.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0484 -2.0041 1.4495 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -1.0909 -0.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2862 2.2048 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 1.2432 2.2824 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2305 2.2201 -4.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4266 2.0362 -0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7647 1.4768 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 -0.8206 -2.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.2365 -3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2392 -1.2351 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4999 -2.2513 2.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2933 -1.6695 3.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7213 0.1250 -3.1427 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8491 1.3181 -2.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1187 1.6315 -2.3758 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 5 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 9 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 17 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 26 31 1 0 21 32 1 0 7 2 1 0 12 8 1 0 19 14 1 0 29 20 1 0 28 23 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 4 37 1 0 6 38 1 0 7 39 1 0 11 40 1 0 15 41 1 0 16 42 1 0 18 43 1 0 19 44 1 0 24 45 1 0 25 46 1 0 27 47 1 0 32 48 1 0 32 49 1 0 32 50 1 0 M END