NIH-ZINC00429650 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2150 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0350 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3800 1.4160 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 4.0520 1.3310 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 4.0810 -0.6580 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0100 4.0440 -0.6360 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2380 -2.0770 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 -2.8830 -1.0490 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 -4.2690 -0.7930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0760 -2.2990 -2.3310 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -2.5040 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 -3.1930 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -2.5600 0.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 -2.8210 0.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8130 -1.5070 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6460 -1.4820 -1.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9030 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 -0.4880 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9730 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -2.5750 0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 -4.0740 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 -0.8030 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 27 1 0 0 0 0 M END