ASINEX-ZINC04276263 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 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 1.1380 -0.7130 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -0.2470 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -2.1890 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -2.2100 -0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1240 -2.6970 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -0.7440 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -0.3080 0.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -3.0390 1.4840 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 -3.0390 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -3.6070 2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -3.5940 1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -3.0220 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 -2.4830 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5320 -2.4990 0.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -4.2040 3.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2910 -4.2090 3.5650 O 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 1.1850 -2.6660 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -2.6760 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 -4.0210 2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -2.9970 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1420 -2.0370 -1.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -4.7440 4.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -5.1240 5.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 27 28 1 0 0 0 0 M END