IBS-ZINC02277371 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.2070 1.2650 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 -0.2200 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.7170 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.9890 -0.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 -2.3380 -0.6680 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1920 -3.0170 -0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2430 -4.3300 -0.4080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -4.7900 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4360 -3.7840 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6960 -2.2520 -0.0300 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -6.2150 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0340 -6.5720 0.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1730 -7.9670 0.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5220 -8.2780 0.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -7.2420 -0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 -7.6280 0.7330 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3810 1.8200 0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 1.4880 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 1.6430 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -1.7820 1.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0530 -0.0780 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -0.4770 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -2.8910 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 -3.8800 0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 -9.3650 0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7840 -7.8810 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1930 -7.8690 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -7.5910 -1.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 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 10 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 2 0 0 0 0 M CHG 1 16 -1 M END