CHEMBRIDGE-ZINC00859615 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 36 0 0 0 0 0 0 0 0999 V2000 -0.0750 1.5250 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 -0.0050 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.4780 1.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -1.8230 1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -2.6700 0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -4.0350 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -4.5690 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -3.7140 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4360 -2.3500 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -1.4440 3.4420 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6040 -1.9040 4.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -0.2370 3.3140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1340 -6.0310 1.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 -6.4940 2.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 -6.8540 0.8380 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 -8.2360 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -8.8470 2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -10.2110 2.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -10.9690 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -10.3660 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -9.0010 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 -8.4120 -1.4350 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 1.9090 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 1.8860 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.8690 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 -0.3890 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -0.3490 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.2570 -0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -4.6920 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -4.1230 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.4880 0.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -8.2560 3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -10.6860 3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -12.0350 1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -10.9610 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 30 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 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END