IFLAB-ZINC02458699 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.8100 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 -0.4970 1.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.5200 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -0.3990 -1.3960 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1370 -0.0600 -1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0550 -0.2760 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 0.0730 -0.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7820 0.6040 -1.8550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 0.8280 -2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 0.4980 -2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 1.4280 -4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 1.6350 -5.0400 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 2.1870 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1710 -0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 2.1610 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3270 -0.8660 -2.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 -0.7100 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -0.0930 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9170 0.6760 -3.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7520 1.7450 -4.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 2.1340 -5.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 5 1 0 0 0 0 5 6 1 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 20 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 21 22 1 0 0 0 0 M END