PUBCHEM-ZINC00445979 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.4600 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -0.0050 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.8300 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -2.0940 0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.0580 -0.6950 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 -0.8080 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.2640 -2.7720 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 -1.8620 -3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -1.6380 -5.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0740 -0.5090 -5.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -2.6920 -5.9520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.4900 -7.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -3.5850 -8.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -3.3700 -9.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -2.0620 -10.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -1.0210 -9.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -1.2570 -7.8060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 -1.7080 -11.8520 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.8380 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.8210 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.8110 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.5200 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0450 -2.9860 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -2.4110 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -2.4360 -3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 -3.5920 -5.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2580 -4.5890 -7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -4.2010 -10.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3360 -0.0020 -9.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 M END