NIH-ZINC04058042 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 0 0 0 0 0 0999 V2000 0.0030 1.5280 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -0.0020 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -0.4920 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4880 -1.8430 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -2.6750 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -4.0530 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -4.5980 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -3.7660 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -2.3880 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8900 -1.5460 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 -1.7780 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8890 -0.7990 1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 -0.9570 -0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -0.7380 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6880 -1.7160 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -5.9490 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -6.4390 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3210 -7.9690 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -4.8960 -0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -4.4540 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8180 -3.3660 0.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9830 -5.3120 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -4.6200 0.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2970 -5.2530 0.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3850 -6.3500 0.4040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5160 -4.5960 1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7230 -5.5220 1.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9410 -4.8650 1.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 -4.1420 1.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 -3.7050 2.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5890 -3.1630 1.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5380 -4.1490 3.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 -4.8900 3.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8060 -5.4640 4.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4410 -5.3000 5.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6170 -4.5660 5.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1690 -3.9980 4.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 1.9020 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.8860 -0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 1.8860 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -0.3600 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -0.3600 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -2.2520 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -4.1890 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0900 -2.8000 1.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1080 -1.6210 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5330 -1.0050 2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5130 0.2220 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4920 -0.9000 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4890 0.2850 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 -1.5150 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -2.7380 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -6.0810 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -6.0800 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3450 -8.3430 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -8.3260 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -8.3270 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -5.7970 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 -6.2550 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -5.5100 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 -3.6550 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3430 -4.4010 2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5290 -6.4630 1.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 -5.7170 0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8440 -3.9340 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 -6.0360 4.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0240 -5.7430 6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 -4.4450 6.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0830 -3.4280 4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 1 0 0 0 0 2 42 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 43 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 2 0 0 0 0 7 16 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 19 58 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 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 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 29 2 0 0 0 0 28 33 1 0 0 0 0 29 30 1 0 0 0 0 29 65 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 36 2 0 0 0 0 35 67 1 0 0 0 0 36 37 1 0 0 0 0 36 68 1 0 0 0 0 37 69 1 0 0 0 0 M END