IFLAB-ZINC05251542 MOE2007 3D CORINA 3.40 0006 02.08.2006 25 25 0 0 0 0 0 0 0 0999 V2000 -0.3350 1.4630 -1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -0.0020 -1.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -0.6930 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 -0.1010 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.1860 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3900 -2.7770 -1.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2940 -2.8770 0.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 -4.2700 -0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -4.9990 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1870 -6.3760 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 -7.0300 -0.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5820 -6.3080 -0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -4.9300 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8810 -7.0120 -0.3640 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.9100 -8.2260 -0.4490 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 -6.3760 -0.3570 O 0 5 0 0 0 0 0 0 0 0 0 0 0.5430 1.8410 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 1.8220 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 1.8160 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.4740 -1.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9840 -2.4070 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -4.4890 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 -6.9430 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4310 -8.1070 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -4.3670 -0.1600 H 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 1 0 0 0 0 2 20 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 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 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 M CHG 1 14 1 M CHG 1 16 -1 M END