12OXX_K22_A_501 2 RDKit 3D 3 4 16 17 0 0 0 0 0 0 0 0999 V2000 5 22.5810 8.4420 16.7820 Br 0 0 0 0 0 0 0 0 0 0 0 0 6 22.1910 7.8580 18.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 7 21.2130 8.6120 19.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 8 20.3270 10.0520 18.2530 Br 0 0 0 0 0 0 0 0 0 0 0 0 9 22.8050 6.7860 19.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 10 23.7590 5.8770 18.9430 N 0 0 0 0 0 0 0 0 0 0 0 0 11 23.9310 5.0750 20.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 12 24.9650 3.7980 20.2190 S 0 0 0 0 0 0 0 0 0 0 0 0 13 23.1030 5.4640 21.0070 N 0 0 0 0 0 0 0 0 0 0 0 0 14 22.4130 6.4980 20.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 15 21.4450 7.2530 21.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 16 20.8900 6.8860 22.9370 Br 0 0 0 0 0 0 0 0 0 0 0 0 17 20.8740 8.2780 20.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 18 19.5750 9.2700 21.2980 Br 0 0 0 0 0 0 0 0 0 0 0 0 19 24.2731 5.8003 18.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 20 23.0164 5.0419 21.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 21 1 2 1 0 22 2 3 2 0 23 2 5 1 0 24 3 4 1 0 25 3 13 1 0 26 5 6 1 0 27 5 10 2 0 28 6 7 1 0 29 7 8 2 0 30 7 9 1 0 31 9 10 1 0 32 10 11 1 0 33 11 13 2 0 34 11 12 1 0 35 13 14 1 0 36 6 15 1 0 37 9 16 1 0 38A 1 39BR1 40A 2 41C5 42A 3 43C2 44A 4 45BR2 46A 5 47C7 48A 6 49N14 50A 7 51C13 52A 8 53S10 54A 9 55N6 56A 10 57C8 58A 11 59C4 60A 12 61BR4 62A 13 63C3 64A 14 65BR3 66M END 67