NIH-ZINC04410746 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 71 0 0 1 0 0 0 0 0999 V2000 -0.0100 1.3730 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -0.0070 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -0.6840 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 0.0170 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.3970 -0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 2.0840 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 3.5680 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 4.3820 0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 5.6010 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 5.5010 0.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 4.3340 0.0160 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 6.8770 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6410 6.6380 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 7.7000 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 8.9800 -1.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7400 9.8170 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9360 8.9850 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 7.6890 1.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 9.4020 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 8.7490 3.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 10.5430 2.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3860 10.9400 3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 12.4580 3.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5660 12.8710 4.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 12.1850 3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7220 10.6670 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7310 10.2530 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 -2.4460 -0.0210 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -2.8370 0.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -2.8620 0.5320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2250 -2.9280 -1.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 -3.1660 -2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -3.5720 -3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -2.9920 -3.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.1970 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9520 1.9010 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 -0.5590 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3470 -0.5170 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 1.9440 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 7.1140 -2.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 7.9590 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 8.7220 -1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8330 9.5540 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4040 10.6800 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 10.1520 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 7.8510 1.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 7.1490 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3160 11.1020 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 10.6420 4.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9610 12.7550 2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6170 12.9460 3.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 13.9530 4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1800 12.5740 5.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2970 12.4820 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 12.4800 4.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6800 10.1780 3.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3360 10.3690 4.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 9.1720 2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1170 10.5510 1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -2.2540 -2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -3.9700 -2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -3.1200 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 -4.6570 -3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 -1.9350 -4.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -3.5580 -4.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -4.2200 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -2.4910 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 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 48 1 0 0 0 0 22 23 1 0 0 0 0 22 27 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 27 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 34 35 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 M END