PUBCHEM-ZINC01475613 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.3810 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 0.6460 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 0.3510 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -0.9730 -3.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -2.0000 -3.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 -1.7040 -1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9650 -3.4100 -3.4150 N 0 3 0 0 0 0 0 0 0 0 0 0 1.5690 -4.3100 -2.6960 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5510 -3.6700 -4.4500 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0340 -1.3500 -5.3470 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4020 0.2900 -6.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 0.1360 -7.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3900 -0.9670 -7.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 1.2230 -8.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 0.9990 -9.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 2.3460 -9.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3820 3.0800 -9.0440 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2490 2.1300 -11.1170 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 3.0590 -10.1650 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 1.6750 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3200 1.1490 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -2.5020 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 0.8300 -6.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0220 0.8460 -5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 0.4440 -9.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 0.4280 -9.9530 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 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END