NIH-ZINC04093398 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 72 0 0 1 0 0 0 0 0999 V2000 1.3280 2.1230 0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 0.6600 0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9330 0.5100 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 0.2210 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 0.2510 3.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -0.1690 4.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -0.2190 5.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 0.0830 5.2310 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 -0.6520 6.7950 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2540 -1.7200 6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2760 0.1120 7.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5220 -0.4600 7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 0.2380 7.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5530 1.5140 7.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 2.0850 8.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1660 1.3860 7.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.2020 8.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4850 3.5100 8.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -0.3790 7.7650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 0.5200 7.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2980 -0.2990 6.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -1.1320 7.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9280 -1.9420 7.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -0.9550 8.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9190 -1.6980 9.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0860 -0.6740 9.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -1.4460 11.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9030 -1.1650 12.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -0.4210 11.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 -1.7410 13.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9220 -1.5510 14.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8300 -2.0520 15.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8840 -1.8570 16.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -1.1640 16.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0230 -0.6940 14.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -0.8900 13.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1620 2.7460 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 2.4350 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5010 2.2290 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 0.0360 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 1.1340 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -0.5320 -0.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 0.8230 -1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -0.7920 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 0.8990 2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 1.2640 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.4270 2.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.4110 4.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -1.4540 6.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -0.2100 7.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 3.0780 8.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 1.8320 7.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9710 4.1370 8.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8870 3.4440 9.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 3.9480 9.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 1.0640 8.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 1.2270 6.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0770 0.3740 6.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -0.9210 6.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7410 -1.3030 7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6130 -2.5980 6.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 -2.5440 8.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 0.3940 10.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.9900 9.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.5140 11.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -1.1300 11.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.2870 13.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -2.5880 15.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 -2.2360 17.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 -0.9950 16.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 -0.1540 14.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 40 1 0 0 0 0 3 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 5 6 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 6 48 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 50 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 22 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 25 2 0 0 0 0 24 26 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 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 36 2 0 0 0 0 32 33 2 0 0 0 0 32 68 1 0 0 0 0 33 34 1 0 0 0 0 33 69 1 0 0 0 0 34 35 2 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 71 1 0 0 0 0 M END