IBS-ZINC05452386 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 0.3110 1.4290 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -0.0340 -0.0130 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -0.6850 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -0.0740 2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2600 -2.1570 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.8920 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -4.2350 2.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1110 -5.0220 3.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4870 -4.5470 4.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -6.4350 3.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -6.3700 2.8880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -5.3030 2.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5480 -5.0970 3.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -4.5490 3.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -2.8110 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -4.0220 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.0300 -1.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 -0.6950 -1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 -0.0490 -2.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2980 1.8460 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 1.7600 -1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3890 1.7700 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -2.3890 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -4.6820 1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -7.0460 4.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 -6.8770 2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -2.4450 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5660 -7.4970 2.6240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -5.7720 5.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -5.7920 5.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -7.4050 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 18 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 27 1 0 0 0 0 18 19 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 M END