IBS-ZINC01248354 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5300 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.4560 -1.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 0.0330 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.5660 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 2.0180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 2.8650 0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 3.2320 1.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 3.3050 0.9320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -1.3030 -2.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -1.8630 -1.9930 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 -1.7090 -2.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 1.8930 -0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.8840 0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -0.3700 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0030 -0.3820 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -0.3310 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 -0.3210 -1.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2740 1.9450 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9090 1.9330 -2.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 3.9120 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -2.3170 -3.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 13 1 0 0 0 0 1 14 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 10 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 6 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 21 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 22 1 0 0 0 0 M END