IBS-ZINC01187976 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 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 0 0 0 0 0 0 0 0 0 0 -5.5800 8.3580 -1.3460 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.8640 7.4460 -1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7600 9.3490 -1.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2310 10.5730 -2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 9.9580 -2.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 8.9950 -2.0260 O 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 -6.0180 7.5680 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8800 8.9370 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6240 8.9160 -1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0150 9.6320 -0.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9990 10.9710 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 11.3440 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4370 9.4600 -3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 10.7240 -3.2000 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 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 32 1 0 0 0 0 9 10 2 0 0 0 0 9 33 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 34 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 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END