IFLAB-ZINC02457064 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 -0.0860 1.6360 -0.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 0.1340 -0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.3300 0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 0.4050 0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 1.8960 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 3.7890 0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 4.4770 1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 6.2770 1.4690 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 6.6940 1.5900 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 6.7240 0.3910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8930 -1.4000 -0.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1680 -1.9060 -1.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -1.9650 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -1.5390 0.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 2.0190 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.8030 -1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4310 -0.4000 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4350 -0.0440 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4080 0.0500 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0980 0.2520 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 2.0600 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 2.4680 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 4.0950 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 4.0740 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5050 4.1930 1.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 4.1710 2.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 2.3320 0.6140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0030 6.8400 2.7090 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7300 -2.9450 -1.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 -3.2780 -1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 7.8060 2.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 28 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 M END