IBS-ZINC02264158 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 0 0 0 0 0 0999 V2000 0.6720 1.5650 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.0550 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -0.5480 -1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0090 -1.8940 -1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 -2.5420 -2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -3.9080 -2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -4.6410 -1.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -3.9840 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -2.6200 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -6.1030 -1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 -6.8060 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -8.1160 -2.6200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5580 -8.2890 -1.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -7.0410 -0.7500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -6.8020 0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -7.8240 1.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -7.2260 2.7900 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -5.8320 2.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -5.6340 1.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -9.1960 1.4660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -6.2180 -4.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.0120 -4.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -7.0150 -5.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -6.4540 -6.5910 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -7.2320 -7.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -8.7030 -7.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2210 -9.6630 -6.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 -10.9910 -7.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -11.3650 -8.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -10.4190 -9.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 -9.0760 -9.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -7.9440 -9.7880 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -6.8340 -9.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -5.7010 -9.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8070 -7.9590 -11.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -8.1330 -11.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -8.2340 -10.5340 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7400 1.7580 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 1.9870 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 2.0240 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7820 -0.3670 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 -0.1390 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -1.9750 -3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0600 -4.4110 -3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 -4.5470 0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -2.1120 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -9.5510 0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -9.7980 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -7.9770 -5.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -9.3700 -5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -11.7400 -6.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -12.4060 -8.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -10.7230 -10.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -7.0180 -11.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -8.7850 -11.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7600 -8.1750 -12.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7140 -8.2880 -12.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 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 43 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 45 1 0 0 0 0 9 46 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 33 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 35 1 0 0 0 0 33 34 2 0 0 0 0 35 36 1 0 0 0 0 35 54 1 0 0 0 0 35 55 1 0 0 0 0 36 37 2 0 0 0 0 36 56 1 0 0 0 0 56 57 1 0 0 0 0 M END