IFLAB-ZINC04166787 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 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 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2740 -1.8080 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -2.3300 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -4.1090 2.7580 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 -4.4700 4.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 -5.7440 4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4580 -5.9680 6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1820 -4.9820 6.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2460 -3.8090 5.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -3.5500 4.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1910 -7.2630 6.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -7.7840 5.4270 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 -6.8780 4.5410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6720 -7.9370 7.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -8.8670 8.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3430 -9.5300 9.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6200 -9.2660 9.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -8.3370 9.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9520 -7.6780 8.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 -9.9190 10.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -9.5990 11.3140 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 -1.0200 -0.3810 0.0100 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 3.2920 -2.9100 1.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -1.2940 2.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -2.7440 3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -3.0300 6.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -9.0710 7.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7190 -10.2530 9.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4160 -8.1320 9.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -6.9580 7.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6560 -10.1890 12.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -9.8260 10.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4650 -8.5380 11.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 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 8 1 0 0 0 0 6 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END