IBS-ZINC05248940 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 32 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3800 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 1.2030 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.0350 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4330 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0950 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6910 -0.6800 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -1.8920 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 0.0960 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3790 -1.0580 -0.0620 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7200 0.0850 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 1.3910 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4050 -1.1560 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8260 1.9660 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7680 0.9220 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 -0.2570 -0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1220 1.2240 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4960 2.5590 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5180 3.5410 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2380 3.2320 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1760 2.9980 -0.1090 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5550 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.7610 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 1.9930 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 3.1750 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 0.7270 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 0.7190 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8640 0.4400 -0.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8120 4.5800 -0.0670 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 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