IFLAB-ZINC04393543 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 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 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4040 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4850 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 4.3520 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9330 4.1880 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 4.0530 1.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5230 5.2080 2.5050 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 4.7010 3.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5520 5.6100 3.3980 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 6.5480 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7730 5.7740 0.0140 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0780 6.3130 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 5.5660 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 4.2510 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 3.7930 0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 6.5810 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 6.2560 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9490 7.2580 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5560 8.5860 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 8.9120 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 7.9130 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4880 9.5650 0.0800 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.1610 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1760 -2.7810 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.7580 -0.0330 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 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.5090 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.9520 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0740 3.0180 1.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 4.2690 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3810 7.1890 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 7.1310 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 5.2200 0.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 7.0060 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 9.9480 0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 8.1680 0.0450 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END