NIH-ZINC04040749 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 1.7920 1.8380 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 0.5400 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -0.4330 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -1.4830 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -2.5010 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 -2.6130 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4450 -3.7120 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0890 -4.7020 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8850 -4.6080 2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 -3.4990 1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -5.6640 3.0050 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5300 -5.3770 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -7.0480 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3970 -7.4110 1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -8.7460 0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 -9.5710 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 -10.8270 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -11.2590 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 -10.4450 -0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1930 -9.1890 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -12.8010 -1.0370 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -6.4850 1.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2980 -7.9160 3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 -9.0840 2.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9790 -7.1170 4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 -7.5620 4.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4610 -5.8440 4.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -4.7910 4.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -4.7830 6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -4.3390 8.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6740 -3.7120 9.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 -2.3160 9.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 -2.0890 8.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9570 -2.6350 7.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 2.2800 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9230 2.4880 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 0.1500 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.8270 -1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 0.0580 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.8680 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 -3.7980 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7610 -5.5440 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -3.4020 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4600 -9.2460 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -11.4600 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7720 -10.7800 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -8.5610 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 -6.8830 0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -4.9810 5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -3.8230 4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -4.2570 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7640 -5.8090 6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -5.4170 8.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 -3.8630 8.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -3.8130 10.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6380 -4.2090 10.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8060 -1.0090 8.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 -2.5430 8.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9840 -2.1550 7.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 -2.5170 6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -4.1230 7.4120 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5950 -4.5980 7.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 42 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 27 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 22 48 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 61 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END