PUBCHEM-ZINC06563630 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 0 0 0 0 0 0999 V2000 -2.0880 1.8310 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 0.5570 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 0.5010 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.6790 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -1.9600 -0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -1.9570 -0.9120 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1510 -3.0860 -0.7240 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -4.4730 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -5.0980 -1.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 -5.1740 -0.7830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4650 -6.5310 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -7.6200 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -8.9250 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4800 -9.1490 -0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -8.0800 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -6.7630 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8370 -5.6040 -0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -4.4370 -0.5200 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.1520 -10.9160 -1.0010 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 2.7210 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 1.9140 -1.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9280 1.8410 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 0.6060 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 0.4610 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.3790 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 1.3860 1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 -0.8290 0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -0.5250 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -2.8820 -0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9190 -4.5810 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5380 -7.5050 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -9.7560 -1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4270 -8.2540 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0720 -5.8700 -0.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 34 2 0 0 0 0 M CHG 1 18 -1 M END