IBS-ZINC05210013 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 28 0 0 0 0 0 0 0 0999 V2000 -0.0220 1.2040 0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.3210 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.9780 1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 -0.8720 -0.8290 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -2.3080 -1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -2.5920 -2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1230 -1.5420 -2.8820 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 1.7520 1.3020 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 3.0830 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 3.6510 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3960 2.8360 3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 1.6090 3.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0630 3.5600 4.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 4.9210 4.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 5.4730 5.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 5.6330 3.7060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 5.1260 2.6610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 5.8640 1.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 1.5220 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 1.5610 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -0.3140 -1.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -2.7640 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -2.7250 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 1.0760 1.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 3.7090 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 3.0290 5.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 6.6400 3.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 -3.8080 -2.6020 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 17 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 M CHG 1 28 -1 M END