IFLAB-ZINC02457060 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 0 0 0 0 0 0999 V2000 0.0140 1.5180 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.0140 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.4850 0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.0690 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 1.5980 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 3.4700 1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 3.9180 2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 5.7200 2.8030 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 6.1030 2.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 6.3670 1.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -1.4180 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -1.9300 -0.4570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 1.8860 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.8740 -0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4160 -0.3850 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -0.3720 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -0.2480 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -0.2810 2.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 1.9520 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 2.0230 2.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 3.9480 0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 3.7580 1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 3.6300 2.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 3.4400 3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -1.5810 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 -2.6390 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 2.0110 1.1690 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 6.0360 4.2010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -1.8180 -1.7450 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -1.5160 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 6.9770 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 15 1 0 0 0 0 2 16 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 17 1 0 0 0 0 4 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 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 1 0 0 0 0 11 29 2 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 M END