IFLAB-ZINC01137136 MOE2007 3D CORINA 3.40 0006 02.08.2006 24 25 0 0 1 0 0 0 0 0999 V2000 0.0610 1.2000 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.0970 1.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -0.7450 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -0.0530 0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 1.2540 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 1.8630 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 1.9640 -0.5690 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 1.4590 -0.9100 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1570 0.9650 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 2.6150 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 3.6330 -0.6890 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 2.4010 -2.5720 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 1.2820 -3.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 0.9640 -4.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6250 0.3530 -2.3510 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 -2.1570 1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -2.6630 1.5940 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8980 1.6930 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 -0.6100 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 -0.5740 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9370 2.8730 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1440 2.9230 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7820 3.0650 -2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -2.7320 2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 18 1 0 0 0 0 2 3 2 0 0 0 0 2 19 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 16 17 1 0 0 0 0 16 24 2 0 0 0 0 M CHG 1 17 -1 M END