# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0P1' 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 6.66800 -0.64700 0.40400 1.000 O1 O 6.51900 -1.81300 0.71200 1.000 O2 O 7.90000 -0.17200 0.14000 1.000 C3 C 9.00400 -1.11000 0.24400 1.000 C4 C 10.29400 -0.40500 -0.08400 1.000 C5 C 11.02200 0.20700 0.91900 1.000 C6 C 12.20600 0.85400 0.61800 1.000 C7 C 12.66200 0.88900 -0.68600 1.000 C8 C 11.93500 0.27700 -1.68900 1.000 C9 C 10.75300 -0.37400 -1.38800 1.000 N10 N 5.59900 0.16900 0.32000 1.000 C11 C 4.25800 -0.34900 0.60100 1.000 C12 C 3.23400 0.49300 -0.11700 1.000 O13 O 3.58900 1.43200 -0.79600 1.000 C14 C 3.99600 -0.29600 2.10800 1.000 N15 N 1.92300 0.20100 -0.00400 1.000 C16 C 0.92700 1.01800 -0.70100 1.000 C17 C -0.39400 0.92300 0.01700 1.000 O18 O -0.49500 0.23800 1.01300 1.000 C19 C 0.76600 0.51200 -2.13600 1.000 C20 C -2.74900 1.50400 0.25000 1.000 C21 C -3.36000 2.90000 0.38200 1.000 C22 C -4.70200 2.80300 1.11100 1.000 C23 C -4.46900 2.32500 2.54600 1.000 C24 C -5.37100 4.17800 1.13400 1.000 N25 N -1.46400 1.59700 -0.44800 1.000 P26 P -3.87900 0.43300 -0.69800 1.000 O27 O -4.18600 1.06900 -1.99900 1.000 O28 O -3.18100 -0.99500 -0.95100 1.000 C29 C -6.37100 -0.48100 -0.39000 1.000 C30 C -6.68300 -1.68000 0.50900 1.000 C31 C -5.53900 -2.66000 0.45400 1.000 C32 C -4.49400 -2.55300 1.35200 1.000 C33 C -5.53900 -3.66900 -0.49100 1.000 C34 C -3.44500 -3.45200 1.30100 1.000 C35 C -4.49000 -4.56800 -0.54100 1.000 C36 C -3.44100 -4.45800 0.35300 1.000 C37 C -7.56400 0.43900 -0.43200 1.000 C38 C -9.82200 0.96000 -0.98600 1.000 O39 O -5.24300 0.22400 0.13100 1.000 O40 O -8.71500 0.02100 -0.98100 1.000 O41 O -7.48400 1.55300 0.02900 1.000 H42 H 9.05200 -1.50300 1.26000 1.000 H43 H 8.85000 -1.93100 -0.45600 1.000 H44 H 10.66600 0.17900 1.93900 1.000 H45 H 12.77400 1.33200 1.40200 1.000 H46 H 13.58700 1.39500 -0.92100 1.000 H47 H 12.29100 0.30400 -2.70800 1.000 H48 H 10.18700 -0.85600 -2.17100 1.000 H49 H 5.71800 1.10000 0.07400 1.000 H50 H 4.18700 -1.38000 0.25600 1.000 H51 H 2.99800 -0.68100 2.31600 1.000 H52 H 4.73600 -0.90400 2.62600 1.000 H53 H 4.06700 0.73600 2.45300 1.000 H54 H 1.63800 -0.55100 0.54000 1.000 H55 H 1.25700 2.05700 -0.71700 1.000 H56 H 0.43600 -0.52700 -2.12000 1.000 H57 H 0.02600 1.12000 -2.65500 1.000 H58 H 1.72200 0.58100 -2.65500 1.000 H59 H -2.59300 1.07900 1.24200 1.000 H60 H -2.68400 3.54000 0.94900 1.000 H61 H -3.51600 3.32400 -0.61000 1.000 H62 H -5.34600 2.09300 0.59200 1.000 H63 H -5.42500 2.25500 3.06500 1.000 H64 H -3.99200 1.34500 2.53000 1.000 H65 H -3.82400 3.03400 3.06500 1.000 H66 H -5.53700 4.51900 0.11200 1.000 H67 H -6.32700 4.10900 1.65300 1.000 H68 H -4.72600 4.88700 1.65300 1.000 H69 H -1.38400 2.14400 -1.24500 1.000 H70 H -2.95100 -1.47000 -0.14000 1.000 H71 H -6.14700 -0.83200 -1.39700 1.000 H72 H -6.82000 -1.33900 1.53500 1.000 H73 H -7.59500 -2.16600 0.16300 1.000 H74 H -4.49600 -1.76700 2.09200 1.000 H75 H -6.35800 -3.75600 -1.18900 1.000 H76 H -2.62700 -3.36800 2.00200 1.000 H77 H -4.49000 -5.35700 -1.27900 1.000 H78 H -2.62200 -5.16000 0.31400 1.000 H79 H -10.07000 1.23600 0.03900 1.000 H80 H -9.53900 1.85200 -1.54400 1.000 H81 H -10.68900 0.49700 -1.45800 1.000