NIH-ZINC04057901 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 1 0 0 0 0 0999 V2000 0.9010 1.6900 -1.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5970 0.3100 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -0.7890 -2.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -2.1270 -1.6990 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -2.8130 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -4.0580 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -4.6310 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 -5.7220 -0.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -3.8920 -0.3290 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -4.2760 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -2.6520 -0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -2.0790 -0.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -4.9980 -1.9680 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4090 -4.4050 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -5.7650 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -5.4920 -4.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -6.1030 -5.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 -7.0030 -5.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3730 -7.3100 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -6.6960 -3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -7.5740 -6.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -7.2850 -7.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -8.4250 -6.7000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7390 -9.0040 -7.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -7.0710 -1.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -7.9600 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -7.1670 1.0230 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -5.9770 1.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -5.0890 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -7.5740 1.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 -6.6520 2.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1260 -7.0650 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3770 -8.4190 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 -9.3560 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3000 -8.9350 1.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -2.2370 -2.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 1.8910 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 1.7810 -3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 2.4610 -1.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 0.2610 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 0.1600 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0030 -0.7410 -3.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -0.6150 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -4.7870 -4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8160 -5.8570 -6.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -8.0100 -4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -6.9510 -2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 -9.6630 -7.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9640 -9.6020 -8.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -8.2250 -8.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -7.6700 -1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -6.6530 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9610 -8.7310 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -8.4710 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -5.3770 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -6.3040 1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6870 -4.6890 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -4.2630 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8230 -5.5860 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8390 -6.3260 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2800 -8.7420 3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6440 -10.4160 2.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -9.6990 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -1.2950 -3.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 -2.6920 -3.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -5.8950 -0.8270 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1720 -6.2650 -0.3760 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 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 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 11 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 13 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 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 66 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 66 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 33 34 2 0 0 0 0 33 61 1 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END