# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'HXG' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C0 C 10.30400 -0.94400 0.67000 1.000 C1 C 9.06600 -1.70200 0.18700 1.000 C2 C 7.80900 -0.90700 0.54800 1.000 C3 C 6.57100 -1.66500 0.06500 1.000 C4 C 5.31400 -0.87100 0.42500 1.000 C5 C 4.09400 -1.61700 -0.05100 1.000 O6 O 4.21800 -2.67600 -0.62000 1.000 O7 O 2.87100 -1.10600 0.15800 1.000 C8 C 1.74200 -1.87900 -0.32800 1.000 C9 C 0.44100 -1.14300 -0.00100 1.000 O10 O 0.39500 0.10800 -0.73700 1.000 C11 C 0.91800 1.18800 -0.13700 1.000 O12 O 1.39900 1.09200 0.96800 1.000 C13 C 0.90600 2.52100 -0.84000 1.000 C14 C 1.55800 3.57600 0.05600 1.000 C15 C 1.54600 4.92900 -0.65800 1.000 C16 C 2.19800 5.98400 0.23800 1.000 C17 C 2.18600 7.33800 -0.47500 1.000 C18 C -0.75200 -2.01400 -0.40000 1.000 O19 O -1.96400 -1.37800 0.01100 1.000 P20 P -3.42000 -2.01500 -0.24800 1.000 O21 O -3.46900 -3.38100 0.32100 1.000 O22 O -3.70300 -2.08300 -1.83200 1.000 O23 O -4.54000 -1.09900 0.45800 1.000 C24 C -5.92400 -1.45400 0.49800 1.000 C25 C -6.70700 -0.36900 1.24000 1.000 N26 N -6.68000 0.87500 0.46000 1.000 C27 C -7.16900 0.61100 -0.90000 1.000 C28 C -7.54100 1.87600 1.10400 1.000 C29 C -5.30300 1.38200 0.39500 1.000 H30 H 10.25300 -0.81600 1.75200 1.000 H31 H 11.20000 -1.51000 0.41400 1.000 H32 H 10.34200 0.03400 0.19000 1.000 H33 H 9.11700 -1.82900 -0.89400 1.000 H34 H 9.02800 -2.67900 0.66700 1.000 H35 H 7.75800 -0.78000 1.62900 1.000 H36 H 7.84700 0.07100 0.06800 1.000 H37 H 6.62200 -1.79300 -1.01700 1.000 H38 H 6.53300 -2.64300 0.54500 1.000 H39 H 5.26200 -0.74300 1.50700 1.000 H40 H 5.35200 0.10700 -0.05500 1.000 H41 H 1.82600 -2.00700 -1.40700 1.000 H42 H 1.73700 -2.85700 0.15400 1.000 H43 H 0.39900 -0.93700 1.06900 1.000 H44 H 1.46200 2.44400 -1.77400 1.000 H45 H -0.12300 2.81100 -1.05200 1.000 H46 H 1.00300 3.65300 0.99100 1.000 H47 H 2.58800 3.28600 0.26900 1.000 H48 H 2.10200 4.85200 -1.59200 1.000 H49 H 0.51700 5.21900 -0.87000 1.000 H50 H 1.64300 6.06100 1.17300 1.000 H51 H 3.22800 5.69500 0.45100 1.000 H52 H 2.65100 8.08900 0.16300 1.000 H53 H 2.74200 7.26000 -1.41000 1.000 H54 H 1.15700 7.62700 -0.68800 1.000 H55 H -0.76000 -2.14600 -1.48200 1.000 H56 H -0.67000 -2.98700 0.08500 1.000 H57 H -3.68600 -1.22200 -2.27200 1.000 H58 H -6.30500 -1.54600 -0.51900 1.000 H59 H -6.04000 -2.40500 1.01700 1.000 H60 H -7.74000 -0.69300 1.37200 1.000 H61 H -6.25300 -0.19600 2.21600 1.000 H62 H -8.19100 0.23400 -0.85200 1.000 H63 H -7.14900 1.53400 -1.47900 1.000 H64 H -6.53000 -0.13200 -1.37800 1.000 H65 H -7.17800 2.07200 2.11300 1.000 H66 H -7.52100 2.79900 0.52500 1.000 H67 H -8.56300 1.49900 1.15200 1.000 H68 H -4.70800 0.73600 -0.25000 1.000 H69 H -5.30700 2.39500 -0.00900 1.000 H70 H -4.87200 1.39300 1.39600 1.000