NIH-ZINC04057299 MOE2007 3D CORINA 3.40 0006 02.08.2006 73 76 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -0.7490 2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -1.2060 3.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -1.4210 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -1.1720 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0960 -0.7200 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7850 -1.9100 4.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0730 -2.1490 4.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3540 -2.5780 5.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -2.6020 6.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2260 -2.1800 5.8560 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0420 -3.0200 8.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7160 -2.9640 6.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7860 -2.0610 7.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4760 -0.7730 7.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -0.2340 9.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2900 0.0010 8.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6630 -1.3090 8.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4040 1.0660 9.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3330 1.5180 8.8570 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9410 1.7270 10.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5600 2.9900 10.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 3.5280 12.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4710 4.7920 12.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9670 6.0600 12.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 6.5990 13.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5420 4.7880 13.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1300 5.9860 13.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 5.9790 14.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6620 4.7810 15.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0790 3.5870 14.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0170 3.5880 14.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -0.5820 2.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 -1.3960 4.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -1.3360 2.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6360 -0.5300 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1640 -2.1500 8.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -3.4440 8.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 -3.7670 8.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6080 -3.7290 7.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3180 -3.3560 5.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 -2.4400 6.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8490 -2.8070 8.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5190 -0.9830 8.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4250 -0.0310 7.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8520 -0.9590 9.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7710 0.3450 9.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2040 0.7550 7.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7360 -2.0580 9.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6140 -1.1420 8.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1980 1.3650 11.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 2.8230 11.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4730 3.7150 10.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7990 3.6960 11.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 2.8040 13.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7830 6.7810 12.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5610 5.8980 11.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2750 6.7610 14.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4930 7.5420 12.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0530 5.8770 13.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7600 6.9220 13.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6460 6.9090 15.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4900 4.7780 15.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4510 2.6540 15.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5590 2.6550 13.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3750 -1.7830 7.0730 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 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 40 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 43 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 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 73 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 73 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 20 73 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 58 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 29 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 68 1 0 0 0 0 31 32 1 0 0 0 0 31 69 1 0 0 0 0 32 33 2 0 0 0 0 32 70 1 0 0 0 0 33 34 1 0 0 0 0 33 71 1 0 0 0 0 34 72 1 0 0 0 0 M END