IBS-ZINC02205787 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 0.4690 1.0490 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -0.2480 0.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1960 -0.6530 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6920 0.0580 -1.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -1.9490 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 -2.6910 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 -2.1710 -1.2150 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 -2.9650 -1.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 -4.1050 -0.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9690 -4.6930 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -4.1600 -0.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0020 -4.6840 -0.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -4.3810 1.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -5.2970 2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3130 1.1310 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 1.1670 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 1.8190 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.8770 1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -2.4630 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -4.7110 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1670 -5.4890 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 -3.6190 1.5500 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 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 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 M CHG 1 22 -1 M END