IBS-ZINC04862966 MOE2007 3D CORINA 3.40 0006 02.08.2006 15 15 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5320 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5240 -0.3640 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -0.5090 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 0.3110 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7490 1.9750 -0.0040 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6720 -0.0520 -0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -0.5140 1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.8810 2.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 1.9150 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.9060 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 -0.9900 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3610 0.6300 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0400 -0.5620 1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4450 -0.8970 2.0840 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 10 1 0 0 0 0 1 11 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 14 15 1 0 0 0 0 M END