IBS-ZINC05047419 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -5.7910 7.5520 -2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 6.3990 -2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 5.1740 -2.4500 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 4.8750 -5.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2310 4.4120 -3.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 5.1620 -4.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 6.4400 -4.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 2.7160 -2.9820 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 2.4030 -1.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 2.1190 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 1.9570 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 1.5680 0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 1.5370 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 1.9060 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 2.1500 -1.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 2.0110 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 2.5010 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 2.5990 -3.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 2.2110 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 1.7190 -2.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 1.6260 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 1.2370 -1.4890 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0100 2.3180 -4.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 1.9800 -3.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2430 2.4500 -1.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8960 2.2340 -0.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 8.0560 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 8.2570 -3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6800 7.1800 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7240 2.0170 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 1.3340 1.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 1.2740 0.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 2.8010 -3.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 2.9770 -4.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 1.2520 -0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 2.7900 -5.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 2.7320 -2.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 2.7390 -2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 2.8420 -6.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 M END