NIH-ZINC04101249 MOE2007 3D CORINA 3.40 0006 02.08.2006 61 65 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8190 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5620 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -2.3320 2.3930 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -3.7860 2.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0460 -4.1660 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -3.3420 5.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -1.8540 4.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 -1.4470 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2910 -3.7280 6.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1140 -4.2800 7.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -4.5160 8.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 -5.0110 9.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -5.1150 10.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -4.7230 10.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -4.2200 9.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -4.1140 8.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -3.6280 6.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -3.2020 6.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -3.8000 8.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 -3.3620 7.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -3.9030 9.4770 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -3.4860 9.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8750 -3.7020 10.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1020 -2.6920 11.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 -2.8850 12.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6640 -4.0920 12.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4350 -5.1090 11.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5430 -4.9070 10.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2050 -6.1850 11.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2100 -5.6740 12.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -4.5310 13.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 -4.2960 1.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6260 -4.0740 2.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -3.9610 3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -5.2270 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8450 -3.5300 4.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 -1.6700 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2690 5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 -1.5480 3.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -0.4140 3.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5650 -5.2210 7.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -3.5680 7.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -5.3200 10.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -5.5050 11.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -4.8070 11.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4230 -4.2530 10.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8860 -2.4300 8.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -4.0770 8.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 -1.7510 11.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1710 -2.0950 12.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 -5.6920 9.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0990 -5.3710 12.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4630 -6.4170 13.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 51 1 0 0 0 0 16 17 2 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 M END