IBS-ZINC04029861 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 1 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 3 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.1720 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -1.3130 2.2150 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1760 -0.6350 3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -2.2110 2.5020 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7270 -2.9530 1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -1.0820 2.5540 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -0.2490 1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7160 0.6050 1.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 -2.7830 3.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -2.9510 3.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 -3.6660 4.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -2.2250 2.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -2.3790 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -3.1080 4.9570 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 3.1750 -0.9590 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 -3.1000 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 -2.7360 2.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 -1.4180 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 -2.2420 5.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -3.9480 5.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -3.3740 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.1660 -2.4510 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 -0.5000 -3.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 6 7 1 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 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 19 28 1 0 0 0 0 19 29 1 0 0 0 0 30 31 1 0 0 0 0 M END