IFLAB-ZINC05258760 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 50 0 0 1 0 0 0 0 0999 V2000 -0.2920 1.7980 0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 0.2700 0.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.2700 1.3650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -1.6250 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 -2.4150 0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 -3.7900 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -4.3820 1.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0510 -3.5910 2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -2.2160 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -4.2220 2.7770 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0840 -3.5290 3.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -5.4340 2.7740 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1070 -5.7780 1.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -6.5530 0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -6.0470 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -8.0500 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -8.6870 -0.0800 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0100 -8.3680 -1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 -10.1880 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -10.8410 0.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -8.3340 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -7.8900 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0770 -7.7680 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -6.9770 -3.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 2.1050 0.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 2.2100 0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 2.1660 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -0.0370 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.0980 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -1.9540 0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -4.4050 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 -1.6010 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6440 -6.1860 2.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -8.4310 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -8.2970 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4620 -9.3580 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9880 -7.6760 -1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4450 -8.5480 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 -6.8660 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2690 -6.7930 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4760 -8.5490 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5600 -7.8220 -3.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -7.1830 -3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1900 -5.9730 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5960 -7.0480 -4.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -10.8000 -0.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -8.2670 0.0430 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 -8.8180 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6290 -7.9570 -2.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 -11.7640 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 47 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 49 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 23 49 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 49 1 0 0 0 0 46 50 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END