NIH-ZINC06499025 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 0.2110 -1.8140 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.7860 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -0.2610 2.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.2490 3.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -0.2360 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 1.2560 1.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0120 1.4590 0.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6010 1.6960 -0.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1920 2.6080 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0900 1.8460 -0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.6980 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 1.4650 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 1.3020 3.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3850 1.7540 1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 2.0810 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 2.2000 -2.4740 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 2.2010 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4910 1.2750 -1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6420 1.7790 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3500 2.9830 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9910 3.5520 0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0420 3.2470 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3270 4.4690 0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9640 1.1470 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1010 0.0780 -1.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0270 1.7520 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3050 1.0690 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 -0.0220 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 0.5240 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 -0.7650 -0.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1390 -1.8420 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8110 -1.6320 -2.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7380 -0.3400 -3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 0.7390 -2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4160 -0.1310 -4.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1660 -1.2890 -5.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -1.5650 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -2.8100 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -1.0870 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -2.0070 1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 -2.5330 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 0.6880 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -1.0750 3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 0.5660 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2450 -1.1980 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -0.1060 4.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -0.5820 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9200 -0.7910 1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 1.8000 0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 1.6240 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 2.3630 -3.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9600 4.2780 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0160 5.3130 0.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4860 4.7000 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2330 0.0920 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5670 0.9400 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0730 1.6610 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 0.1550 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0820 -0.7380 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3420 -0.4220 -1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -0.9310 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1960 -2.8470 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -2.4740 -3.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 1.7460 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0550 -1.9190 -5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3310 -1.8480 -5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 -0.9820 -6.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -0.4540 1.4930 N 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 40 1 0 0 0 0 2 41 1 0 0 0 0 2 68 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 3 68 1 0 0 0 0 4 44 1 0 0 0 0 4 45 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 5 68 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 6 50 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 28 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 22 1 0 0 0 0 22 23 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 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 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 61 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 32 33 2 0 0 0 0 32 63 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 64 1 0 0 0 0 35 36 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 M END