NIH-ZINC04196839 MOE2007 3D CORINA 3.40 0006 02.08.2006 65 67 0 0 0 0 0 0 0 0999 V2000 0.5730 0.8170 -0.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -0.5510 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6250 -0.6320 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -0.8020 -0.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -2.1960 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -2.6060 0.5740 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -4.0510 0.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -1.7790 1.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -2.1050 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4000 -2.9420 -1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -2.5750 -2.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0320 -1.3820 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -0.5530 -1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9360 -0.9130 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0680 -1.0330 -3.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3730 -1.7690 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4390 -1.4630 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2240 -0.6810 -5.3950 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6570 -2.1190 -4.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.7260 -1.8750 -5.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1830 -3.1850 -5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4590 -4.4150 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0040 -3.0760 -3.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0850 -5.4830 -5.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7780 -6.3930 -4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0620 -6.0830 -4.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6950 -6.9180 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0540 -8.0670 -2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7820 -8.3890 -3.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1450 -7.5570 -4.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 1.0000 -0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 0.8760 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 1.6240 -0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -1.3160 -0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -1.6260 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 -0.4390 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 0.1030 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -0.1080 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.6360 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -2.9410 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8560 -3.8800 -1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4510 -3.2320 -3.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4080 0.3690 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8050 -0.2670 0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2330 0.0520 -3.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6910 -1.2940 -4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1930 -2.8510 -3.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7500 -1.4800 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5570 -1.4070 -4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4080 -1.1750 -6.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0580 -3.0180 -6.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3780 -3.6460 -6.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6420 -4.9070 -4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8350 -5.0700 -3.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1730 -3.2500 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8170 -2.6290 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2240 -5.9710 -5.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7900 -5.2100 -6.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5890 -5.1970 -4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6930 -6.6760 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5500 -8.7170 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2890 -9.2920 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1520 -7.8310 -4.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5870 -4.1910 -4.8630 N 0 3 0 0 0 0 0 0 0 0 0 0 -13.3780 -3.7880 -4.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 41 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 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 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 64 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 64 1 0 0 0 0 23 55 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 24 64 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 63 1 0 0 0 0 64 65 1 0 0 0 0 M CHG 1 64 1 M END