NIH-ZINC04111544 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 0 0 0 0 0 0999 V2000 0.1340 0.8600 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.5670 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 -2.3350 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -2.6350 -2.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -0.4300 -3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -0.1120 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -2.3050 -5.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -1.9800 -6.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -2.6360 -7.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 -2.5670 -8.8610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 -3.3730 -9.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0920 -4.1140 -8.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 -3.2450 -10.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6880 -2.8450 -10.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -2.6750 -11.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 -2.8990 -12.6260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -3.3070 -12.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -3.5130 -11.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -3.9870 -11.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -4.2160 -12.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3780 -3.9860 -14.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -3.5400 -13.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 -2.2490 -11.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6380 -2.7300 -12.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9790 -2.3400 -12.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5140 -1.4520 -11.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6900 -0.9550 -10.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -1.3490 -10.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 -1.1520 -11.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4390 -0.2570 -10.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8950 -0.0810 -11.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 1.1000 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 1.5840 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 0.9960 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2800 -1.2590 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.7930 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -2.7340 -1.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 -2.7620 -0.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0040 -2.2860 -2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9920 -3.7100 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.0160 -4.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.0560 -3.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 0.9620 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -0.4310 -2.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 -3.3830 -5.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -1.7710 -5.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -2.3250 -6.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -0.8970 -6.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 -2.1400 -7.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -3.6930 -7.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7210 -1.9220 -9.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 -2.6820 -9.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -4.1990 -10.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -4.5790 -13.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7870 -4.1610 -15.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -3.3740 -14.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -3.4240 -13.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6080 -2.7340 -13.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -0.2540 -9.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 -0.9200 -9.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3910 -0.6720 -9.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9400 0.7190 -10.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4060 0.5990 -10.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9730 0.3180 -12.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4150 -1.0450 -11.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -0.8330 -1.3070 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8340 -0.4650 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -1.9330 -3.9800 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5450 -2.2980 -4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 66 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 66 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 68 1 0 0 0 0 5 6 1 0 0 0 0 5 41 1 0 0 0 0 5 42 1 0 0 0 0 5 68 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 6 66 1 0 0 0 0 7 8 1 0 0 0 0 7 45 1 0 0 0 0 7 46 1 0 0 0 0 7 68 1 0 0 0 0 8 9 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 49 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 51 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 52 1 0 0 0 0 15 16 2 0 0 0 0 15 23 1 0 0 0 0 16 17 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 19 20 1 0 0 0 0 19 53 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 66 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 66 1 M CHG 1 68 1 M END