IBS-ZINC05085455 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3830 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 1.1990 -0.6920 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 0.0180 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.4320 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1050 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 2.1230 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 3.4870 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0030 4.1020 0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 3.3640 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 2.0090 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 1.3760 -0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7490 0.0530 -0.5760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7120 -0.6380 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -1.7610 0.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 1.2200 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1990 0.1160 0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7910 -0.2970 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8720 -1.3280 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4730 -0.7260 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 -0.3010 1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 3.9780 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9290 -0.5510 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -1.7720 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1370 3.1850 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8790 4.0600 0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 5.1600 0.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0820 0.3950 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 1.8690 -1.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8440 0.8600 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1260 -0.7590 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7780 -0.7340 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8780 0.5790 2.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8170 -2.2200 1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2680 -1.5920 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8040 -1.4700 3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5230 0.1440 3.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 -1.1730 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 0.1420 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 3.9790 0.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 0.6860 0.6820 N 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 14 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 42 1 0 0 0 0 22 41 1 0 0 0 0 M END