CHEMBRIDGE-ZINC05009855 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 0.1530 1.3730 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 -0.0090 0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2140 -0.6810 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 0.0410 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2160 1.4260 -0.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0890 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.5690 0.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2300 4.1540 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 4.2000 -0.4710 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2660 -0.6130 -1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.0820 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.7740 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9790 -2.1870 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -4.2770 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2070 -4.9930 0.3150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1030 -4.3730 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -4.8840 1.5080 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3050 -5.7880 1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -4.2600 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -5.2040 3.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8600 -5.5020 2.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 -6.2910 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8410 -7.1230 1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -6.4670 -0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6610 1.8960 1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 -0.5650 1.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0100 1.9880 -1.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1120 -0.7980 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -2.5530 -0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 -4.7710 -0.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -4.0060 3.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -3.3480 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -6.1340 3.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -4.7390 4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7630 -5.0000 3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -6.3770 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -7.1340 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1930 -8.1400 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2470 -6.5480 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5230 -6.9160 -0.4810 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 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 11 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 23 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END