NIH-ZINC04960107 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 60 0 0 1 0 0 0 0 0999 V2000 -0.6240 1.5810 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 0.1210 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -1.9160 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -2.4660 -2.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7940 -0.3800 -3.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 0.1720 -2.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -2.4900 -4.9450 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5590 -1.8730 -4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 -3.9260 -4.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 -4.3590 -4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.7740 -4.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -6.3850 -4.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 -5.2580 -4.7800 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -2.2320 -6.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7370 -1.1720 -6.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -2.4940 -7.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -2.9420 -6.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3810 -2.9520 -5.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 -2.3900 -4.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5720 -3.6720 -6.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -4.7670 -7.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6320 -5.3990 -7.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8920 -4.9500 -7.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -3.8700 -6.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8350 -3.2380 -5.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1640 -3.3390 -5.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3790 -3.9330 -6.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 1.7450 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 2.2310 -0.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.8990 0.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -0.4810 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -0.0450 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 -2.2330 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 -2.2600 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -2.2000 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9570 -3.5510 -2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -0.0070 -4.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -0.0790 -3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 1.2590 -2.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -0.0910 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2610 -3.6950 -4.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4220 -6.3180 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -7.4440 -4.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -2.1730 -8.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 -1.9400 -7.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 -3.5580 -7.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -3.4230 -7.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -5.1680 -7.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -6.2500 -8.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7670 -5.4700 -7.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 -2.3940 -5.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 -3.8360 -7.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4440 -4.9800 -6.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2060 -3.3920 -5.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -0.3920 -1.3400 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0210 -0.0840 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -1.9060 -3.8010 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.1870 -4.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 55 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 57 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 57 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 55 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 57 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 47 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 55 56 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 55 1 M CHG 1 57 1 M END