NIH-ZINC04195098 MOE2007 3D CORINA 3.40 0006 02.08.2006 74 77 0 0 1 0 0 0 0 0999 V2000 -0.0920 1.0040 -0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 -0.5250 -0.5200 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2530 -0.8730 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -0.9830 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -2.5180 0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 -3.1730 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -2.6160 -0.0180 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4160 -1.0940 -0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5840 -3.3260 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -3.3500 -2.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7830 -3.9890 -1.4170 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -3.8460 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5200 -4.3300 0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -3.0430 0.5820 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2800 -4.7390 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6060 -6.1040 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -7.1560 -2.7220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -6.0610 -2.7540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -7.2770 -2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -8.0030 -4.2040 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5190 -7.7770 -4.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -7.5170 -5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -6.8650 -6.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -6.4310 -7.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -6.6340 -6.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9080 -7.2780 -5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9120 -7.7170 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4300 -6.1570 -7.8650 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8180 -6.3690 -7.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -10.3070 -5.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -11.8120 -5.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -12.1990 -4.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -11.5430 -3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -10.0240 -3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -2.8580 1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 -3.0850 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 1.4170 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 1.3380 -1.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 1.4300 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -0.5480 0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.5750 1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.2600 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 -3.0440 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -0.6370 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.7880 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 -2.7960 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3610 -4.8810 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0580 -4.1870 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7590 -5.1480 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -6.9870 -2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -7.9100 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8270 -6.6860 -6.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -5.9310 -8.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9440 -7.4540 -5.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 -8.2160 -3.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0510 -7.4380 -7.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -5.9470 -8.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 -5.8490 -6.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -10.0380 -5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -9.9960 -5.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -12.3560 -6.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -12.1240 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7740 -11.8910 -2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -11.8460 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -9.7200 -4.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -9.5440 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -2.4770 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1350 -3.9420 1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -2.4160 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -2.7460 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8700 -4.1800 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -2.7680 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -9.5420 -4.0180 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2180 -9.7960 -3.4130 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 8 1 0 0 0 0 4 5 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 44 1 0 0 0 0 8 45 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 73 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 73 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 34 73 1 0 0 0 0 35 67 1 0 0 0 0 35 68 1 0 0 0 0 35 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 73 74 1 0 0 0 0 M CHG 1 73 1 M END