IBS-ZINC05454415 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 39 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3890 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 1.1790 -0.6880 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 0.0190 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -0.6550 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 0.0780 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 1.4860 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 2.1520 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4370 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 2.1070 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0980 -0.6210 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1320 -1.8340 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 0.1690 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7890 -0.9680 -0.0890 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1170 0.1910 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9800 1.4950 -0.0820 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 -1.0310 -0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2010 2.0850 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1550 1.0520 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4430 -0.1360 -0.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5050 1.3690 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8630 2.7090 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8740 3.6790 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5980 3.3560 -0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5380 3.1670 -0.1370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 1.9080 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.5490 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -1.7680 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -1.7340 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6950 2.0420 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5770 3.2320 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 3.1860 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4120 0.8020 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4290 0.7920 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2560 0.5940 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1560 4.7220 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 M END