PUBCHEM-ZINC06863101 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 34 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3740 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.0450 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3850 1.4220 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6480 2.1940 -0.0210 N 0 3 0 0 0 0 0 0 0 0 0 0 4.7180 1.6120 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 3.4120 -0.0140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2550 -2.1530 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -2.8290 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -4.2290 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -4.9190 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3430 -4.3940 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8810 -3.1060 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2530 -2.9380 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0910 -4.0420 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5760 -5.3260 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -5.5260 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -6.6620 -0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -6.4070 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -7.2350 -0.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9880 -1.1960 0.0420 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9000 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3700 -0.4720 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 3.1660 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 -2.6740 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -4.6980 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -2.2460 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -3.8980 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -6.1750 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END