IBS-ZINC05516633 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 1.1490 0.9220 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 0.3970 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 0.0450 1.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 0.3300 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 0.9920 2.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -0.1650 3.3270 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0020 -0.8310 2.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 -1.2270 3.8320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 -1.0250 1.6520 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 -0.6490 0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 -0.9150 -0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 0.1930 -1.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 0.6710 -2.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.8870 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3330 2.2850 -3.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 1.4670 -4.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.2420 -4.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 -0.1380 -3.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -0.6540 -6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 -1.7360 -5.9050 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5750 0.4220 1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8710 0.7100 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 2.0020 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7090 -0.0040 4.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0610 -1.5030 1.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3430 -0.4030 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 2.5590 -1.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 3.2370 -3.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 1.7860 -5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -1.0950 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 -0.2590 -7.1090 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 2 0 0 0 0 M CHG 1 20 -1 M END