IFLAB-ZINC04276164 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3790 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 1.2040 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4040 0.0340 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4300 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 2.0940 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6950 -0.6840 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -1.9850 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1180 -2.2560 -0.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8050 -1.1380 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -0.1220 -0.0510 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1850 -1.0250 -0.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9520 -2.1340 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 -3.2320 -0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 -2.0130 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2220 -3.1590 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5960 -3.0410 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1860 -1.7900 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 -0.6480 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0240 -0.7530 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9860 0.5710 -0.1080 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 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 1.2180 -1.7600 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9880 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.1730 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6000 -0.1480 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7630 -4.1370 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2120 -3.9280 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2630 -1.7040 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4130 0.1380 -0.0970 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 31 1 0 0 0 0 M END