# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '01K' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -4.15300 0.37300 2.10500 1.000 P1 P -5.46800 1.23100 1.75000 1.000 O2 O -5.06900 2.44000 0.76400 1.000 P3 P -4.31500 3.84800 0.96900 1.000 O4 O -3.87800 4.43600 -0.46500 1.000 C5 C -3.09700 5.62300 -0.61400 1.000 C6 C -2.86200 5.89600 -2.10100 1.000 C7 C -2.11800 4.71500 -2.72600 1.000 C8 C -4.20900 6.08000 -2.80400 1.000 C9 C -2.02600 7.16800 -2.26000 1.000 O10 O -2.77700 8.29200 -1.79800 1.000 C11 C -0.76100 7.04100 -1.45200 1.000 N12 N 0.18400 6.15100 -1.81400 1.000 C13 C 1.37000 5.95900 -0.97500 1.000 C14 C 2.27700 4.90200 -1.60700 1.000 C15 C 3.49600 4.70500 -0.74400 1.000 N16 N 4.44100 3.81500 -1.10700 1.000 C17 C 5.62700 3.62300 -0.26700 1.000 C18 C 6.53400 2.56600 -0.90000 1.000 S19 S 8.00200 2.32800 0.13900 1.000 C20 C 8.93700 1.06100 -0.76100 1.000 C21 C 10.20700 0.74800 -0.01200 1.000 N22 N 11.06600 -0.17100 -0.49600 1.000 C23 C 12.30000 -0.47500 0.23200 1.000 C24 C 13.09000 -1.54400 -0.52600 1.000 C25 C 14.37900 -1.86200 0.23400 1.000 C26 C 15.16800 -2.93000 -0.52500 1.000 C27 C 16.45800 -3.24800 0.23500 1.000 N28 N 16.12600 -3.85500 1.52700 1.000 C29 C 17.29300 -4.20800 -0.57100 1.000 O30 O 17.58300 -5.29300 -0.11200 1.000 O31 O 3.62700 5.34600 0.27600 1.000 O32 O -0.59300 7.74000 -0.47500 1.000 O33 O -3.11200 3.64600 1.80700 1.000 O34 O -5.30800 4.88700 1.69500 1.000 O35 O -6.04900 1.78100 2.99500 1.000 O36 O -6.54900 0.28300 1.02600 1.000 C37 C -8.14600 -1.50400 0.71300 1.000 C38 C -8.90900 -2.62700 1.44000 1.000 O39 O -12.71100 -1.80300 2.33000 1.000 O40 O -11.21900 -3.58200 3.56400 1.000 C41 C -7.61900 -5.29300 -2.22700 1.000 C42 C 16.65100 -4.38800 3.88500 1.000 C43 C 16.99200 -3.76400 2.55600 1.000 O44 O 18.04500 -3.18100 2.41300 1.000 N45 N 17.71800 -3.86200 -1.80300 1.000 O46 O 10.45700 1.32300 1.02600 1.000 C47 C -7.17900 -0.82000 1.68100 1.000 O48 O -7.41100 -2.11300 -0.36200 1.000 O49 O -10.31600 -2.37700 1.40900 1.000 P50 P -11.20500 -2.20000 2.74000 1.000 O51 O -10.62500 -1.13000 3.58100 1.000 C52 C -8.56800 -3.90300 0.63300 1.000 O53 O -9.72100 -4.73300 0.47800 1.000 C54 C -8.12200 -3.31500 -0.73000 1.000 N55 N -7.23200 -4.24700 -1.42800 1.000 C56 C -5.87000 -4.23500 -1.40100 1.000 N57 N -5.40200 -5.20400 -2.13200 1.000 C58 C -6.43200 -5.89500 -2.67800 1.000 N59 N -8.78600 -5.79200 -2.62200 1.000 C60 C -8.83300 -6.83800 -3.41900 1.000 N61 N -7.74500 -7.44100 -3.86300 1.000 C62 C -6.53400 -7.00800 -3.53000 1.000 N63 N -5.40000 -7.64800 -3.99800 1.000 H64 H -3.71900 -0.01900 1.33500 1.000 H65 H -3.62700 6.46500 -0.16900 1.000 H66 H -2.13800 5.49200 -0.11300 1.000 H67 H -2.76000 3.83400 -2.71400 1.000 H68 H -1.85100 4.95600 -3.75400 1.000 H69 H -1.21300 4.51200 -2.15300 1.000 H70 H -4.71300 6.95800 -2.40000 1.000 H71 H -4.04500 6.21500 -3.87300 1.000 H72 H -4.82800 5.19800 -2.63900 1.000 H73 H -1.77300 7.30700 -3.31100 1.000 H74 H -3.03700 8.23700 -0.86800 1.000 H75 H 0.08000 5.63800 -2.63000 1.000 H76 H 1.91300 6.90100 -0.89200 1.000 H77 H 1.06300 5.62800 0.01700 1.000 H78 H 1.73400 3.96100 -1.69000 1.000 H79 H 2.58400 5.23300 -2.59900 1.000 H80 H 4.33700 3.30200 -1.92300 1.000 H81 H 6.17000 4.56500 -0.18400 1.000 H82 H 5.32000 3.29200 0.72500 1.000 H83 H 5.99100 1.62400 -0.98300 1.000 H84 H 6.84100 2.89700 -1.89200 1.000 H85 H 8.33500 0.15700 -0.84700 1.000 H86 H 9.18400 1.43000 -1.75600 1.000 H87 H 10.86700 -0.63100 -1.32600 1.000 H88 H 12.90300 0.42900 0.31900 1.000 H89 H 12.05400 -0.84400 1.22800 1.000 H90 H 12.48700 -2.44800 -0.61300 1.000 H91 H 13.33700 -1.17500 -1.52200 1.000 H92 H 14.98200 -0.95700 0.32000 1.000 H93 H 14.13200 -2.23000 1.22900 1.000 H94 H 14.56600 -3.83400 -0.61100 1.000 H95 H 15.41500 -2.56200 -1.52000 1.000 H96 H 17.01900 -2.32800 0.40000 1.000 H97 H 15.28400 -4.32100 1.64100 1.000 H98 H -6.11900 5.06700 1.20000 1.000 H99 H -8.84900 -0.77300 0.31300 1.000 H100 H -8.56200 -2.72000 2.46900 1.000 H101 H -13.30400 -1.68000 3.08400 1.000 H102 H -11.58700 -4.33000 3.07300 1.000 H103 H 16.50600 -5.46100 3.75600 1.000 H104 H 17.46500 -4.21400 4.58800 1.000 H105 H 15.73400 -3.94200 4.27100 1.000 H106 H 17.48600 -2.99500 -2.17000 1.000 H107 H 18.25500 -4.48100 -2.32200 1.000 H108 H -6.42000 -1.53400 2.00200 1.000 H109 H -7.72900 -0.46000 2.55000 1.000 H110 H -7.75400 -4.45500 1.10400 1.000 H111 H -9.55700 -5.54400 -0.02100 1.000 H112 H -8.98800 -3.07500 -1.34700 1.000 H113 H -5.26700 -3.52500 -0.85400 1.000 H114 H -9.79800 -7.21800 -3.72000 1.000 H115 H -4.52100 -7.32900 -3.73800 1.000 H116 H -5.48300 -8.41500 -4.58500 1.000