# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HY' 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 1.71100 -1.26900 2.77100 1.000 C1 C 2.85100 -2.09800 2.23700 1.000 C2 C 4.25300 -2.86400 0.39700 1.000 N3 N 5.29200 5.18800 -0.30600 1.000 C4 C 0.74700 1.93200 -2.39300 1.000 C5 C 4.33900 0.62000 0.77400 1.000 C6 C 4.86400 1.86900 0.67500 1.000 N7 N 3.22400 -1.97900 0.94700 1.000 C8 C 4.83800 4.14900 -0.23600 1.000 C9 C 4.26500 2.83900 -0.14900 1.000 C10 C -2.17500 -3.35600 -0.56000 1.000 C11 C -1.61000 -2.10900 -0.77700 1.000 C12 C -2.71200 -1.37300 1.19800 1.000 C13 C -1.92100 -4.39200 -1.43900 1.000 C14 C -1.10500 -4.18800 -2.53600 1.000 C15 C -0.53800 -2.94600 -2.75900 1.000 C16 C -0.78900 -1.90300 -1.88100 1.000 C17 C -2.87400 -0.11300 2.05200 1.000 C18 C -4.91800 0.98100 1.32200 1.000 C19 C -4.91700 2.80300 -0.14100 1.000 C20 C -3.50400 2.74400 -0.19600 1.000 C21 C -2.85800 1.79700 0.51700 1.000 C22 C 0.88800 -0.35800 -1.40000 1.000 O23 O -1.85900 -1.08900 0.08700 1.000 O24 O -0.23200 -0.68200 -2.09800 1.000 N25 N -3.57500 0.91400 1.27800 1.000 C26 C 1.41200 0.91100 -1.50600 1.000 N27 N -5.58800 1.91500 0.62100 1.000 C28 C 2.57000 1.25000 -0.78600 1.000 C29 C 3.12600 2.53600 -0.87600 1.000 O30 O 3.43300 -2.87100 2.96700 1.000 C31 C 3.18700 0.28000 0.04400 1.000 C32 C 2.62800 -1.01200 0.13400 1.000 C33 C 1.49300 -1.31600 -0.58400 1.000 O34 O -5.52200 3.64800 -0.77600 1.000 O35 O -5.53600 0.18400 2.00000 1.000 H36 H 2.10500 -0.36400 3.23400 1.000 H37 H 1.04400 -0.99800 1.95200 1.000 H38 H 1.15900 -1.84600 3.51300 1.000 H39 H 3.77900 -3.71800 -0.08600 1.000 H40 H 4.85000 -2.31800 -0.33300 1.000 H41 H 4.89800 -3.21600 1.20300 1.000 H42 H 0.00500 2.48400 -1.81600 1.000 H43 H 1.49700 2.62300 -2.77700 1.000 H44 H 0.25800 1.42700 -3.22500 1.000 H45 H 4.81100 -0.11400 1.41000 1.000 H46 H 5.75200 2.12000 1.23600 1.000 H47 H -2.80900 -3.51900 0.29900 1.000 H48 H -2.27100 -2.16600 1.80100 1.000 H49 H -3.68800 -1.69300 0.83400 1.000 H50 H -2.36100 -5.36300 -1.26900 1.000 H51 H -0.90900 -5.00000 -3.22000 1.000 H52 H 0.09900 -2.78900 -3.61600 1.000 H53 H -3.45100 -0.35200 2.94500 1.000 H54 H -1.89100 0.25800 2.34200 1.000 H55 H -2.95000 3.44700 -0.80100 1.000 H56 H -1.78000 1.73600 0.48700 1.000 H57 H -6.55600 1.94900 0.66300 1.000 H58 H 2.66600 3.28500 -1.50500 1.000 H59 H 1.06600 -2.30500 -0.51400 1.000