NIH-ZINC03585035 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 0 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 1.1960 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 0.0150 -2.8180 -2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -3.0790 -2.9260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1910 -2.1900 -3.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -2.9380 -3.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3220 -4.1680 -3.1030 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0780 -4.1690 -2.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 -5.0740 -1.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -5.2290 -2.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -6.2490 -4.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -6.1050 -4.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -7.3220 -4.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8700 -8.3140 -5.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8900 -9.4050 -4.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1440 -9.2910 -5.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0800 -10.2910 -5.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7620 -11.4070 -4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5050 -11.5200 -3.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5690 -10.5210 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6760 -12.3850 -4.3540 F 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 0.0550 -3.8480 -0.0190 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 0.5130 -2.2170 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -3.7630 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -1.2280 -3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7370 -2.0560 -4.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 -2.3470 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -3.1750 -4.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1460 -5.7100 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3150 -4.7980 -2.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -7.4380 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -7.8330 -6.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -8.7440 -5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3930 -8.4210 -6.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0600 -10.2020 -5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 -12.3900 -3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5870 -10.6100 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 M END