NIH-ZINC04039838 MOE2007 3D CORINA 3.40 0006 02.08.2006 70 72 0 0 1 0 0 0 0 0999 V2000 0.3580 1.9750 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 0.5570 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.1920 -1.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -1.5030 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -2.0260 -0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -2.1450 -2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -3.4580 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 -3.5690 -4.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -2.3320 -4.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.4970 -3.7040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2780 -0.5270 -3.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 -1.8440 -6.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -4.7190 -4.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -5.4110 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4270 -6.5610 -6.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3910 -6.2720 -7.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -6.6030 -7.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -5.8930 -7.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 -5.8260 -8.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -5.1530 -6.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -4.5170 -5.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 -7.3070 -9.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0900 -8.7370 -9.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7540 -11.1510 -8.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -9.7140 -10.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 -7.8950 -5.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7360 -8.2040 -4.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -9.4460 -4.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -10.4230 -4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4880 -10.1640 -5.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -8.8900 -6.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -8.6440 -7.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 -8.4030 -7.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 -11.0850 -6.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 -12.3420 -5.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9330 -5.0460 -4.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 -4.5340 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 2.4340 -1.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 1.9800 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 2.5880 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 0.5660 0.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 0.1030 0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 -2.0040 -6.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.7740 -6.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -2.3670 -6.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -6.7350 -9.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7210 -7.2540 -9.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -9.0100 -8.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -8.8510 -9.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -11.4410 -9.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -11.1480 -7.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 -11.8190 -9.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0060 -8.7110 -11.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -9.9630 -11.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -10.4400 -10.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -7.4930 -4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -9.6600 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 -11.3820 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6290 -7.6790 -6.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0400 -9.3330 -7.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9850 -7.9780 -8.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8700 -12.2210 -4.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -12.9010 -5.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 -12.9230 -6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 -5.9270 -4.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -4.6110 -1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3360 -5.5140 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 -4.3190 -1.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -9.7590 -9.3680 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9940 -9.5310 -8.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 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 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 69 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 69 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 25 69 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 34 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 37 67 1 0 0 0 0 37 68 1 0 0 0 0 69 70 1 0 0 0 0 M CHG 1 69 1 M END