IFLAB-ZINC05241636 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8220 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -2.5650 0.4880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 -2.3780 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -1.5690 3.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -2.2860 4.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5190 -4.0030 4.1520 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -3.7240 2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -4.7190 1.8760 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3730 -6.0150 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9770 -6.3110 3.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 -7.0740 1.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0660 -8.4200 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -9.4020 0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -9.0620 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -7.7230 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -6.7360 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7190 -10.3280 -1.4260 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 -9.3920 -2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1140 -10.3640 -3.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -0.4890 3.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1830 -1.8710 5.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6910 -4.4830 1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -8.6840 2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -10.4410 1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -7.4620 -1.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -5.6980 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -8.7740 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -8.7560 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -10.9830 -4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 -11.0010 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5950 -9.8020 -4.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END