IFLAB-ZINC04275744 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3700 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 1.2690 -0.5270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 0.7900 -0.0170 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 1.9550 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -1.9060 -0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8860 -2.3020 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2050 -3.6800 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -4.5110 -0.0430 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4940 -4.0730 -0.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -5.4220 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -5.9270 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1100 -7.3740 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -7.9200 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 -6.6820 -0.0600 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2850 -5.0910 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1840 -3.8780 -0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 -5.6660 -0.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 1.9370 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8920 -0.6110 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 3.0230 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7990 -2.6430 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -1.5650 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 -3.4110 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0240 -7.9500 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -8.9820 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5850 -6.6320 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3010 -5.1120 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 20 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 25 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END