NIH-ZINC00617851 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6020 -4.9170 -1.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -4.9300 1.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -5.0430 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 -4.7540 -1.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7800 -4.6160 -2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -3.4770 -0.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -5.9040 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -6.8700 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2400 -5.8590 -2.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1650 -6.9770 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 -6.4860 -3.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -7.5890 -3.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0280 -8.4220 -4.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2170 -9.6710 -4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1680 -9.3820 -3.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4460 -8.0810 -3.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -5.5350 0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 -3.2620 -1.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7850 -3.6150 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -2.6460 -0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -5.0860 -2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4500 -7.3780 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7900 -5.6790 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0730 -6.0930 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4600 -8.2180 -2.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3920 -7.1320 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 -8.7380 -5.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4300 -7.8120 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -10.4340 -3.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -10.0540 -5.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6660 -9.3460 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4380 -10.1920 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4640 -7.8320 -4.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 -8.1700 -3.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 M END