IBS-ZINC00525661 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7640 -0.1330 1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.0260 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -2.7860 0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.3530 2.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -1.2670 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1840 -1.3240 4.5660 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -0.1210 2.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -3.7290 2.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -0.4650 -1.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 0.7830 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -4.0610 3.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -3.7680 3.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -4.3810 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.1810 -1.9990 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 1 0 0 0 0 2 4 1 0 0 0 0 2 13 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 21 1 0 0 0 0 M END