IBS-ZINC05457093 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3730 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 1.2110 -0.6840 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 1.3940 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 3.5560 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 4.1540 0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 4.3210 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 6.0980 0.0130 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 6.7290 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8610 5.9980 -0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 8.8030 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9540 6.8020 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4870 8.1280 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 8.0540 0.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3990 9.1730 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7510 8.8630 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1450 7.5350 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2630 6.5580 -0.0410 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9390 10.1290 -0.0260 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -2.0350 -0.0200 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9020 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3460 -0.5190 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3360 1.9380 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 4.0580 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 4.0670 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 10.2000 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 7.2960 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 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 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 30 1 0 0 0 0 M END