IBS-ZINC05246042 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 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 7.3630 3.9780 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3810 5.3780 0.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8010 5.8810 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7080 5.1160 -0.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0620 7.1810 0.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4430 7.6700 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 9.1470 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5870 9.6040 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6010 10.9660 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4950 11.8250 1.2800 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3740 11.4260 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 10.0800 -0.2860 C 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 6.9640 1.4430 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 5.9080 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 5.5520 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3360 7.7930 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0370 7.1400 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8620 7.4960 -0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6730 8.9050 2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6980 11.3300 3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2900 12.1590 -0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2640 9.7600 -1.3130 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 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 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 34 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 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 M END