IFLAB-ZINC05155105 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 4.1860 1.7200 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 5.9260 1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 6.7750 2.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 6.4240 3.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1110 8.1090 2.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 8.8850 3.2380 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 8.5880 0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 7.6890 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 6.3830 0.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 8.1760 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0570 9.5750 -1.4930 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2180 7.7180 -2.1440 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 7.6880 -2.1220 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 3.9710 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2510 3.9460 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 9.6490 0.7750 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 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 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 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 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END