IFLAB-ZINC02457726 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 0 0 0 0 0 0999 V2000 -0.1680 2.0100 4.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 0.6930 3.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 0.2180 2.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8970 -1.0810 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -1.6910 1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -1.0000 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 0.3040 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 0.9090 2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2950 -1.7510 0.2300 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -0.6760 -0.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6260 -2.7400 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3020 -2.5580 1.3490 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1210 -1.7100 2.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2400 -2.5520 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7060 -3.7370 3.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -4.5740 2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -3.7390 2.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0470 -3.9700 4.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6120 -3.1420 5.6040 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7260 -5.2730 5.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 -5.2830 6.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7880 -6.4970 7.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2250 -7.6930 6.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9300 -7.6980 5.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1830 -6.4670 4.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -8.9940 4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8060 -8.9300 3.7600 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7380 2.2330 4.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 2.7480 3.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 2.0800 4.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -1.6180 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7110 -2.6950 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1470 0.8600 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 1.9210 2.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4810 -1.3010 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5720 -0.8800 1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -1.9370 3.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -2.9120 2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -5.3720 3.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 -5.0330 1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 -4.3780 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0250 -3.3870 2.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 -4.3520 7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -6.5160 8.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0240 -8.6360 7.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7520 -6.4530 4.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -10.0360 5.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 2 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 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 2 0 0 0 0 M CHG 1 27 -1 M END