PUBCHEM-ZINC03869833 MOE2007 3D CORINA 3.40 0006 02.08.2006 22 22 0 0 1 0 0 0 0 0999 V2000 -0.0090 1.4400 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 -0.0570 -0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2160 -0.3530 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 -0.3060 0.7390 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2590 -0.3580 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.8590 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4270 1.8870 -0.0550 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6940 2.0240 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 3.0950 0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -1.5760 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2280 -1.8650 1.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -3.2580 0.8030 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5090 -3.0930 -0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -0.7290 0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7680 -0.4940 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 1.8730 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 1.7270 1.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 3.2010 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 -2.4190 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 -1.4400 -0.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -3.2620 1.8320 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0010 -4.3490 1.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 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 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 14 15 1 0 0 0 0 M CHG 1 21 -1 M CHG 1 22 -1 M END