IFLAB-ZINC02712780 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9690 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -2.6390 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -2.0350 3.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 -4.1390 2.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -4.6380 3.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -5.0710 4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3580 -5.5350 5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -5.9310 6.5070 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -5.5360 5.5110 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1980 -5.8530 6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 -5.0990 4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 -5.1050 4.4270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -4.6610 3.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2100 -4.3540 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 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 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.2350 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.4520 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 -4.5870 2.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -4.4150 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -5.0620 4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -0.2240 0.7840 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 19 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 2 0 0 0 0 9 17 1 0 0 0 0 10 11 1 0 0 0 0 10 28 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 15 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 19 29 1 0 0 0 0 M END