# CIF file generated by openbabel 2.3.2, see http://openbabel.sf.net data_I _chemical_name_common '01K' loop_ _atom_site_type_symbol _atom_site_label _atom_site_Cartn_x _atom_site_Cartn_y _atom_site_Cartn_z O O1 -4.15300 0.37300 2.10500 P P2 -5.46800 1.23100 1.75000 O O3 -5.06900 2.44000 0.76400 P P4 -4.31500 3.84800 0.96900 O O5 -3.87800 4.43600 -0.46500 C C6 -3.09700 5.62300 -0.61400 C C7 -2.86200 5.89600 -2.10100 C C8 -2.11800 4.71500 -2.72600 C C9 -4.20900 6.08000 -2.80400 C C10 -2.02600 7.16800 -2.26000 O O11 -2.77700 8.29200 -1.79800 C C12 -0.76100 7.04100 -1.45200 N N13 0.18400 6.15100 -1.81400 C C14 1.37000 5.95900 -0.97500 C C15 2.27700 4.90200 -1.60700 C C16 3.49600 4.70500 -0.74400 N N17 4.44100 3.81500 -1.10700 C C18 5.62700 3.62300 -0.26700 C C19 6.53400 2.56600 -0.90000 S S20 8.00200 2.32800 0.13900 C C21 8.93700 1.06100 -0.76100 C C22 10.20700 0.74800 -0.01200 N N23 11.06600 -0.17100 -0.49600 C C24 12.30000 -0.47500 0.23200 C C25 13.09000 -1.54400 -0.52600 C C26 14.37900 -1.86200 0.23400 C C27 15.16800 -2.93000 -0.52500 C C28 16.45800 -3.24800 0.23500 N N29 16.12600 -3.85500 1.52700 C C30 17.29300 -4.20800 -0.57100 O O31 17.58300 -5.29300 -0.11200 O O32 3.62700 5.34600 0.27600 O O33 -0.59300 7.74000 -0.47500 O O34 -3.11200 3.64600 1.80700 O O35 -5.30800 4.88700 1.69500 O O36 -6.04900 1.78100 2.99500 O O37 -6.54900 0.28300 1.02600 C C38 -8.14600 -1.50400 0.71300 C C39 -8.90900 -2.62700 1.44000 O O40 -12.71100 -1.80300 2.33000 O O41 -11.21900 -3.58200 3.56400 C C42 -7.61900 -5.29300 -2.22700 C C43 16.65100 -4.38800 3.88500 C C44 16.99200 -3.76400 2.55600 O O45 18.04500 -3.18100 2.41300 N N46 17.71800 -3.86200 -1.80300 O O47 10.45700 1.32300 1.02600 C C48 -7.17900 -0.82000 1.68100 O O49 -7.41100 -2.11300 -0.36200 O O50 -10.31600 -2.37700 1.40900 P P51 -11.20500 -2.20000 2.74000 O O52 -10.62500 -1.13000 3.58100 C C53 -8.56800 -3.90300 0.63300 O O54 -9.72100 -4.73300 0.47800 C C55 -8.12200 -3.31500 -0.73000 N N56 -7.23200 -4.24700 -1.42800 C C57 -5.87000 -4.23500 -1.40100 N N58 -5.40200 -5.20400 -2.13200 C C59 -6.43200 -5.89500 -2.67800 N N60 -8.78600 -5.79200 -2.62200 C C61 -8.83300 -6.83800 -3.41900 N N62 -7.74500 -7.44100 -3.86300 C C63 -6.53400 -7.00800 -3.53000 N N64 -5.40000 -7.64800 -3.99800 H H65 -3.71900 -0.01900 1.33500 H H66 -3.62700 6.46500 -0.16900 H H67 -2.13800 5.49200 -0.11300 H H68 -2.76000 3.83400 -2.71400 H H69 -1.85100 4.95600 -3.75400 H H70 -1.21300 4.51200 -2.15300 H H71 -4.71300 6.95800 -2.40000 H H72 -4.04500 6.21500 -3.87300 H H73 -4.82800 5.19800 -2.63900 H H74 -1.77300 7.30700 -3.31100 H H75 -3.03700 8.23700 -0.86800 H H76 0.08000 5.63800 -2.63000 H H77 1.91300 6.90100 -0.89200 H H78 1.06300 5.62800 0.01700 H H79 1.73400 3.96100 -1.69000 H H80 2.58400 5.23300 -2.59900 H H81 4.33700 3.30200 -1.92300 H H82 6.17000 4.56500 -0.18400 H H83 5.32000 3.29200 0.72500 H H84 5.99100 1.62400 -0.98300 H H85 6.84100 2.89700 -1.89200 H H86 8.33500 0.15700 -0.84700 H H87 9.18400 1.43000 -1.75600 H H88 10.86700 -0.63100 -1.32600 H H89 12.90300 0.42900 0.31900 H H90 12.05400 -0.84400 1.22800 H H91 12.48700 -2.44800 -0.61300 H H92 13.33700 -1.17500 -1.52200 H H93 14.98200 -0.95700 0.32000 H H94 14.13200 -2.23000 1.22900 H H95 14.56600 -3.83400 -0.61100 H H96 15.41500 -2.56200 -1.52000 H H97 17.01900 -2.32800 0.40000 H H98 15.28400 -4.32100 1.64100 H H99 -6.11900 5.06700 1.20000 H H100 -8.84900 -0.77300 0.31300 H H101 -8.56200 -2.72000 2.46900 H H102 -13.30400 -1.68000 3.08400 H H103 -11.58700 -4.33000 3.07300 H H104 16.50600 -5.46100 3.75600 H H105 17.46500 -4.21400 4.58800 H H106 15.73400 -3.94200 4.27100 H H107 17.48600 -2.99500 -2.17000 H H108 18.25500 -4.48100 -2.32200 H H109 -6.42000 -1.53400 2.00200 H H110 -7.72900 -0.46000 2.55000 H H111 -7.75400 -4.45500 1.10400 H H112 -9.55700 -5.54400 -0.02100 H H113 -8.98800 -3.07500 -1.34700 H H114 -5.26700 -3.52500 -0.85400 H H115 -9.79800 -7.21800 -3.72000 H H116 -4.52100 -7.32900 -3.73800 H H117 -5.48300 -8.41500 -4.58500