PUBCHEM-ZINC04543677 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 21 0 0 1 0 0 0 0 0999 V2000 0.0260 1.5480 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 0.0440 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -0.5840 0.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 2.0490 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9830 1.5950 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 3.5820 0.1160 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9880 4.0380 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9450 4.1410 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 5.5270 0.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1520 6.4550 0.2020 P 0 0 0 0 0 0 0 0 0 0 0 0 5.2300 5.7720 1.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8570 4.0120 1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 4.9220 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 1.5940 -1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0680 1.8180 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 1.8320 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 1.9430 0.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -0.4900 -0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5230 3.6770 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4550 3.9900 -0.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3810 6.3900 -1.3030 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7170 7.8170 0.7200 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 2 0 0 0 0 2 18 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 M CHG 1 21 -1 M CHG 1 22 -1 M END