PUBCHEM-ZINC00710822 MOE2007 3D CORINA 3.40 0006 02.08.2006 32 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2060 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3780 1.4310 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 3.5740 0.0100 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0700 4.1600 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 4.2040 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6810 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7180 -1.8970 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8530 0.0130 -0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 -0.6660 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 0.0020 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -0.7130 -0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 0.0030 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8820 -0.6730 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9050 -2.0580 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7250 -2.7760 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5080 -2.1140 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3480 -2.8200 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5060 0.2960 -0.1120 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.4170 -0.0210 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9910 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 0.9830 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 1.0820 -0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6650 1.0830 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8510 -2.5790 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7510 -3.8560 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0010 -3.0240 -0.9470 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 23 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 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 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 1 0 0 0 0 21 32 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END