IBS-ZINC00531610 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 40 0 0 0 0 0 0 0 0999 V2000 -0.0160 1.3060 0.0090 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 1.3170 -0.7400 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -1.6760 1.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -2.9880 1.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -3.4540 2.3280 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -2.5380 3.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -1.4300 2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 0.0890 2.9500 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -0.3730 4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5120 0.8060 5.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.7010 6.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 2.7840 6.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6270 2.9710 6.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4400 2.0770 6.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.9900 5.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 -0.1380 4.5250 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -3.7300 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -5.0650 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 -5.7460 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -5.0730 -2.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -3.7510 -2.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 -3.1220 -1.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 1.8580 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.8330 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.2910 -0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -0.0240 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 -0.6760 5.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -1.2020 4.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 1.5550 6.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 3.4830 7.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0620 3.8180 7.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 2.2240 6.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -5.5580 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -6.7790 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -5.5780 -2.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -3.2250 -3.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 18 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 M END