NIH-ZINC04092974 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 0 0 0 0 0 0999 V2000 -0.0130 1.4360 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.0070 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -0.6080 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 0.1500 2.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8460 -0.4720 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -1.8560 3.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -2.6190 2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 -1.9930 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3720 -3.9770 2.2140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -4.6950 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 -2.4880 4.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -2.8350 5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -4.2220 5.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 -4.8590 4.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -4.7560 6.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -6.1050 6.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -6.2440 7.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8840 -7.6530 6.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 -8.6820 7.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -8.5430 6.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -7.1340 6.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 -2.7760 4.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -3.3220 5.0920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 -2.4190 2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0970 -2.8500 3.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 -2.4880 1.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3210 -2.9130 1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6790 -3.4530 3.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2080 -2.6940 1.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5570 -2.9900 1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4820 -2.6630 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8170 -2.9620 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1820 -3.5800 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2100 -3.8760 2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9450 -3.5740 2.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 1.8120 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 1.7980 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.7880 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 1.2280 2.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2980 0.1200 3.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -2.5820 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3080 -4.4450 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -4.4210 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -5.7660 1.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 -2.8030 6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 -2.1210 5.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -4.2470 7.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -6.2760 5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -6.0730 8.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -5.5110 6.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -7.7520 7.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1620 -7.8240 5.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -8.5110 8.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -9.6860 7.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -9.2760 6.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -8.7140 5.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -7.0360 5.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -6.9630 7.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2050 -2.9300 2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -1.3410 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 -2.3390 3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1400 -3.9280 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4520 -3.0000 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8410 -1.4100 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9080 -2.3300 0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1620 -2.1830 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5580 -2.7210 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2160 -3.8280 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4900 -4.3570 3.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 21 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 66 1 0 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 M END