CHEMBRIDGE-ZINC01233457 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.9690 1.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4870 -2.6390 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9440 -2.0340 3.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -4.1110 2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 -4.8090 1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -6.1820 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8470 -6.8670 1.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -6.1810 3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -4.8070 3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -6.9220 4.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1490 -8.1340 4.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -6.3190 5.0910 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -0.0630 1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.2350 2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -2.4520 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -4.2760 0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -6.7240 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -7.9420 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6710 -4.2720 3.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -0.2240 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 17 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 28 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END