PUBCHEM-ZINC01169705 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -0.6070 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1610 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -0.4540 -3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -1.8350 -3.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.6020 -2.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -1.9910 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -2.9690 0.1600 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3460 -2.4550 0.3840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -4.3250 -0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.6660 1.5380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 -1.6920 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 -0.7050 2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 0.1330 3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.0080 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5600 -0.9510 4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -1.8230 3.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -2.8430 3.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 -3.3570 1.9860 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6730 -2.6740 -4.6820 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1260 1.2390 -2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.1430 -3.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -3.6800 -2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -0.6020 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.8980 3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 0.6790 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -1.0380 5.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 M END