PUBCHEM-ZINC05591658 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 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 0.6880 -0.4760 -1.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.7010 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -2.1230 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -3.1150 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7680 -4.4190 -1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -4.7320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -3.7400 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -2.4340 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.7040 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -1.0960 -3.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -0.4730 -2.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -0.8000 -3.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4690 -2.0820 -4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9630 -2.3820 -5.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0300 -1.3980 -6.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -0.1150 -5.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 0.1850 -4.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -1.7190 -7.5790 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.9340 -2.8490 -7.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -0.8520 -8.4330 O 0 5 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 -0.5230 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5990 -0.0180 -0.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 -2.8710 -2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -5.1940 -2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -5.7510 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -3.9840 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -1.6590 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 -1.1140 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 0.5710 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 -2.8510 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -3.3840 -5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 0.6530 -6.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 1.1880 -4.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 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 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END