NIH-ZINC04118980 MOE2007 3D CORINA 3.40 0006 02.08.2006 67 70 0 0 0 0 0 0 0 0999 V2000 0.9880 1.6220 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.1970 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -0.3940 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -1.0790 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7440 -1.6160 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 -1.4750 -3.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.7800 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -0.2430 -2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -2.0260 -4.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 -1.9820 -5.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8780 -2.6570 -6.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 -3.0860 -5.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7260 -2.6910 -4.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1870 -3.8330 -6.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -2.8140 -8.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 -1.8550 -10.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 -0.5910 -11.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4130 0.5490 -10.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.7900 -9.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.4830 -8.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 1.8360 -11.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 1.9890 -12.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 2.8060 -11.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.1200 -12.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 4.9240 -12.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 5.0310 -13.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 5.7540 -13.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4480 6.3710 -12.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 6.2650 -11.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 5.5440 -11.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9270 5.3650 -10.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4490 6.1390 -9.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 1.6650 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 2.2780 -0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 2.0250 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -0.4280 1.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5970 0.1790 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -1.2010 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -2.1460 -2.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -0.6510 -4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6290 0.2920 -2.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 -3.5750 -5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 -4.9090 -6.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 -3.6060 -7.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -3.5880 -8.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -3.1190 -8.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 -2.2510 -10.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7840 -2.6210 -10.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -0.2890 -10.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 -0.8050 -12.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 0.2730 -11.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 1.2040 -9.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 1.5420 -9.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8140 -0.2780 -7.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 -0.8730 -9.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 2.6270 -11.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 4.6280 -11.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7020 4.0040 -13.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 4.5480 -14.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2920 5.8360 -14.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 6.9330 -12.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 6.7500 -10.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 5.9540 -8.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 7.2110 -9.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 5.8270 -8.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.5500 -9.0170 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7840 -1.1810 -8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 66 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 16 66 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 66 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 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 66 67 1 0 0 0 0 M CHG 1 66 1 M END