CHEMBRIDGE-ZINC03880424 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 1 0 0 0 0 0999 V2000 0.0800 1.8600 -0.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 0.4790 -0.1840 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5420 0.5230 0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -0.5850 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 0.1520 0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9970 -0.3710 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 -0.7290 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 -1.2920 2.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.5070 3.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9230 -1.1630 3.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -0.6020 2.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9350 -2.0950 4.5980 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1360 -2.3810 4.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 -2.2770 5.6150 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1250 2.1340 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.8920 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 2.6220 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -0.5550 -2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7120 -0.4890 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 0.3690 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -0.5680 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -1.5480 2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -1.3150 4.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -0.3340 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3170 -1.9390 -0.5630 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5280 -2.6870 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -1.9680 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -2.1350 0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M CHG 1 25 1 M END