IBS-ZINC01288469 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3750 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 1.2090 -0.6830 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0160 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.3950 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 2.0870 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 3.5620 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 4.3680 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 5.6890 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 5.6350 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 4.3360 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 6.7440 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 6.5490 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 7.5340 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5490 8.7250 0.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0480 7.0870 0.0750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 5.7630 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 4.9670 0.0790 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 5.0060 0.0450 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1750 8.0230 0.0910 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8000 9.0470 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0200 7.7940 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3490 8.5660 1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7610 8.1850 -0.5980 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.5600 7.0110 -0.6480 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2030 9.3700 -1.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 7.7840 -1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.4190 -0.0230 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9030 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 3.3420 -0.5190 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 1.9400 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3070 4.0430 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 6.5800 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 7.7470 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 6.7300 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4970 8.1810 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1230 8.1920 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2000 9.6370 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 8.4440 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 6.7430 -1.4600 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 M END