NIH-ZINC04400512 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 -0.1310 1.5800 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 0.0510 0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 -0.4630 1.4960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -1.7970 1.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -2.5110 0.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5130 -2.4030 2.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4960 -3.9050 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6100 -4.6400 2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -6.3320 2.4580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -5.8870 2.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -4.6000 2.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -6.7760 2.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -8.0990 2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -8.5140 2.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -9.0620 2.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -10.7530 1.9680 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -11.6420 1.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3640 -13.0470 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3650 -14.0430 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -15.2050 1.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3330 -15.0380 1.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -13.7030 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7210 -12.9740 1.6160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -11.6650 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5270 -11.0060 1.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 -16.0630 1.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3880 -16.0930 2.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3200 -17.1040 2.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1510 -18.0870 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0490 -18.0610 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -17.0490 0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -17.0120 -0.6340 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.9620 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 1.9650 -0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6120 1.9010 1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1250 -0.3310 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 -0.2700 -0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -2.0490 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -2.1100 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -4.2640 2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4780 -6.4430 2.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 -8.9740 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0510 -8.8300 1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3010 -13.8720 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -11.1060 1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5210 -15.3260 2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1810 -17.1280 2.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8810 -18.8770 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -18.8300 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 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 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 25 2 0 0 0 0 18 19 1 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 45 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 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 1 0 0 0 0 M END