IBS-ZINC04302245 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 0 0 0 0 0 0 0 0999 V2000 -0.4520 -3.2560 -1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -2.0770 -0.6550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -2.0320 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -0.8130 1.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -0.0400 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.8140 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -0.4030 -2.4320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.0400 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 -0.5170 -4.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -0.7670 -5.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.1610 -4.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 -0.6800 -3.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 1.4050 0.0010 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8120 1.9760 1.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6220 2.0240 -1.0470 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.5280 -3.3790 -1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -3.1240 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -4.1400 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3600 -2.8680 1.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -0.8000 -2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 -2.1200 -3.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 0.5550 -4.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2530 -1.0280 -5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 0.9210 -4.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -0.4160 -5.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -1.7550 -3.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 -0.1790 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 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 M CHG 1 13 1 M CHG 1 15 -1 M END