CHEMBRIDGE-ZINC04598696 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0730 1.5980 0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 0.3620 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -0.3030 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 0.2610 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 -0.3920 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7990 0.1760 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 1.4140 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5580 2.0780 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3480 1.5170 0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 2.1730 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9130 -0.5760 -0.2510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1650 -0.0520 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 -1.0070 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 -2.0750 -0.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5270 -0.5000 0.2370 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8230 -1.0540 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0740 -2.2890 -0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3800 -2.7800 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4340 -2.0350 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2030 -0.8050 0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8970 -0.2950 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6500 1.0470 1.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4260 1.4270 1.3490 O 0 5 0 0 0 0 0 0 0 0 0 0 14.7220 -2.4830 -0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 2.1160 0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -0.0870 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -1.2690 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 -1.3600 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6790 1.8960 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 3.0440 1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 3.1400 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3660 0.9020 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1700 0.0780 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5580 0.4310 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2700 -2.8890 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5500 -3.7410 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0410 -0.2370 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7230 -3.3450 -0.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6490 1.6820 1.7600 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 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 11 1 0 0 0 0 7 8 2 0 0 0 0 7 29 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 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 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 34 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 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 2 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 23 -1 M END