PUBCHEM-ZINC06089496 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.8460 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 -2.5740 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -2.4240 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5880 -2.7470 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7880 -3.2600 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -3.3760 -0.7280 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 -2.7120 -1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1190 -2.4970 -2.4110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8990 -2.8160 -3.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0020 -3.2930 -3.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4140 -2.5860 -4.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -2.0380 -5.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 -1.8260 -6.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4990 -2.1540 -7.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7530 -2.6950 -7.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 -2.9220 -5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -3.4720 -5.7360 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -4.8100 -6.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5670 -5.6650 -5.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9860 -5.0610 -5.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1110 -3.9550 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7510 -2.5680 -5.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 -2.6160 -6.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.2450 -6.5620 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3500 -0.9560 -5.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -1.0570 -7.6980 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7570 -3.6870 2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 -2.5220 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -2.1160 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -1.7800 -4.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -1.9840 -8.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 -2.9470 -8.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8460 -4.6910 -7.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 -5.2960 -6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 -6.6410 -6.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 -5.7880 -4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1470 -4.6590 -6.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7260 -5.8330 -5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 -3.9280 -4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4500 -4.1710 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5960 -2.1930 -5.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 -1.8840 -4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 -1.6080 -6.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8010 -2.9880 -7.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3960 -2.8460 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -4.5070 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2030 -4.0180 2.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -1.5240 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4480 -3.2660 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -2.6150 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END