IBS-ZINC00500302 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.4610 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7670 1.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.3850 2.2640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.2020 0.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9430 -2.7100 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.0680 -0.8430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7500 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.0990 -2.6920 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2050 -2.9490 1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 -4.4000 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1380 -4.7980 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -5.2570 1.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8380 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8220 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.8120 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7900 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -2.8720 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 -2.5100 0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -4.9390 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -6.1910 0.7920 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 8 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 M END