PUBCHEM-ZINC04646747 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 0.8250 1.3150 -0.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -0.1840 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -0.7780 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -2.1560 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5820 -2.9470 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -2.3850 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 -0.9980 -1.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -0.3720 -2.6370 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -0.9610 -3.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9340 -2.1310 -3.8890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -0.0170 -4.8110 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -0.1950 -6.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -1.3860 -6.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -1.4740 -7.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.3720 -8.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 0.8200 -8.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 0.9080 -6.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -4.7430 0.2050 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 -5.2320 -1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5390 -4.9790 1.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -5.0750 0.6610 N 0 5 0 0 0 0 0 0 0 0 0 0 -1.5520 -4.8310 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 1.5900 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 1.7450 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 1.7710 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -0.1650 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.6050 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -3.0540 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 0.6250 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 0.9020 -4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -2.2700 -5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -2.4070 -8.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6340 -0.4440 -9.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6330 1.6830 -8.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 1.8510 -6.6500 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 29 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 30 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 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 21 -1 M END