NIH-ZINC04294979 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 70 0 0 1 0 0 0 0 0999 V2000 0.8190 -0.7990 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.4740 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -1.4310 -1.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -0.6330 -0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7330 0.0030 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0740 -0.2310 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5110 -1.0810 -2.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.0730 -1.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7680 1.4620 -2.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 2.9880 -3.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 3.3950 -4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 4.9220 -4.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 5.4660 -4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 5.0590 -3.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 3.5330 -3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 4.9010 -5.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 4.1400 -6.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -2.0310 0.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -2.4720 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 -1.7110 2.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -3.9100 1.8360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2810 -4.5510 1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -4.2100 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -5.3670 2.6750 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -4.5740 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -4.1320 3.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5930 -3.9470 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -3.5820 3.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 -4.1670 5.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8360 -3.9480 5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -2.4920 5.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -4.2460 7.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8560 -4.8740 5.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8820 -0.5710 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -0.2000 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -1.8570 1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 0.5520 -0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -2.4570 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -1.2000 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -1.3180 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9240 1.7540 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.0580 -3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 1.0680 -3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 3.3970 -2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9620 2.9860 -5.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 3.0070 -4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 5.2120 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 5.3300 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 6.5540 -4.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 5.4480 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9540 5.4680 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8740 3.2430 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 3.1240 -3.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -2.6400 -0.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -3.3020 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -4.6940 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -3.7220 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7180 -5.2970 4.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.8310 6.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2370 -2.3270 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -2.2790 4.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -5.2830 7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -4.0820 7.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -3.5860 7.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8970 -4.6620 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -4.7100 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5580 -5.9120 5.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 5.2430 -5.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 4.8540 -6.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 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 4 1 0 0 0 0 2 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 49 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 68 1 0 0 0 0 18 19 1 0 0 0 0 18 54 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 27 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 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 68 69 1 0 0 0 0 M END