NIH-ZINC04278260 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3810 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0060 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6780 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0310 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 1.4290 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 2.0960 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 1.9580 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6410 1.1430 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 -0.5220 -0.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0540 1.5510 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0540 0.5890 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3620 0.9650 -0.1780 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2070 1.1410 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5040 0.3500 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0870 0.7200 -0.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2770 0.4120 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 1.2010 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7350 -0.7170 0.0350 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 2.9420 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 4.0440 -0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9620 1.9030 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.5590 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7580 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 3.1750 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 2.1980 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6830 0.7660 1.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2000 0.5760 1.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2820 -0.7170 0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8100 0.6840 -2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0550 -0.6550 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 0.8660 -2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1770 2.2640 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4680 -1.3450 0.0960 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 23 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 3 0 0 0 0 M END