IFLAB-ZINC04138640 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0790 1.5220 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -0.0060 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7280 -0.5130 -1.2450 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2290 -0.1310 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -2.0430 -1.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.0600 -1.2220 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9820 -0.5200 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -1.1780 -3.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9610 -1.4470 -4.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -0.9790 -4.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2290 -0.3650 -3.3360 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3780 0.3110 -2.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2540 -0.7170 -2.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3750 -0.0570 -1.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2620 -0.9320 -0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2850 -1.0850 -5.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -0.0860 -5.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0110 -0.5670 -6.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7050 -0.0410 -7.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 -1.9090 -7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -2.2960 -6.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2590 -3.6160 -6.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8850 -4.5370 -7.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 -4.1560 -7.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.8530 -7.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9280 1.9390 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6280 1.8300 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5950 1.8830 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5530 -0.3140 0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -0.4230 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -2.4050 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.4260 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3330 -2.3880 -1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 0.8050 -3.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 1.0540 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6710 -1.2100 -1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 -1.4590 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 -1.4300 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 -1.6790 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0860 -0.3550 -0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0720 0.9340 -5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4260 -3.9160 -5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5410 -5.5600 -7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4390 -4.8860 -8.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 -2.5680 -8.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END