# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '98H' 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 9.29000 -0.00600 0.09600 1.000 O1 O 9.17500 1.41800 0.09500 1.000 C2 C -6.56800 1.43500 0.43100 1.000 C3 C -6.15900 0.42200 -1.79800 1.000 C4 C -3.72200 1.61500 -0.87600 1.000 C5 C -2.34700 1.84700 -0.29100 1.000 C6 C -1.22300 -1.69300 0.67400 1.000 C7 C 4.56300 0.18600 0.09800 1.000 C8 C 3.18700 -0.43000 -0.16300 1.000 C9 C 2.13400 0.29500 0.68000 1.000 C10 C 0.73800 -0.21900 0.32100 1.000 C11 C -0.13600 0.98300 0.64800 1.000 C12 C 0.64900 2.13000 -0.01300 1.000 C13 C 2.10500 1.78000 0.32300 1.000 C14 C -1.54300 0.71400 0.18100 1.000 C15 C -2.04200 -0.51800 0.21000 1.000 C16 C -3.47900 -0.76800 -0.21600 1.000 C17 C -4.32400 0.48000 -0.04600 1.000 C18 C 7.97000 -0.61700 -0.29900 1.000 C19 C 6.94900 0.15400 -0.57800 1.000 C20 C 5.59400 -0.45300 -0.83500 1.000 C21 C -5.80700 0.31300 -0.31400 1.000 C22 C -6.29400 -1.00400 0.24100 1.000 C23 C -5.45900 -2.25200 0.12500 1.000 C24 C -4.03900 -1.93400 0.59500 1.000 O25 O -7.37800 -1.05600 0.78800 1.000 O26 O -1.91600 2.98100 -0.21600 1.000 C27 C -3.41400 -1.19300 -1.68300 1.000 C28 C 0.20400 -1.39800 1.12100 1.000 C29 C -0.16700 1.24000 2.15700 1.000 C30 C 0.70200 -0.54100 -1.18200 1.000 C31 C 3.21200 -1.91200 0.21700 1.000 C32 C 7.82600 -2.11500 -0.37500 1.000 H33 H 10.05800 -0.30900 -0.61500 1.000 H34 H 9.56400 -0.34700 1.09500 1.000 H35 H 9.98900 1.87900 0.34100 1.000 H36 H -7.64000 1.30500 0.28500 1.000 H37 H -6.33800 1.38500 1.49500 1.000 H38 H -6.26200 2.40400 0.03800 1.000 H39 H -5.93600 1.42900 -2.15100 1.000 H40 H -5.57100 -0.30000 -2.36500 1.000 H41 H -7.22000 0.21400 -1.93600 1.000 H42 H -4.31600 2.52800 -0.76600 1.000 H43 H -3.64000 1.36500 -1.92900 1.000 H44 H -1.74800 -2.15700 1.52000 1.000 H45 H -1.19400 -2.44100 -0.12300 1.000 H46 H 4.52100 1.26000 -0.08800 1.000 H47 H 4.85000 0.00800 1.13400 1.000 H48 H 2.93900 -0.33000 -1.22000 1.000 H49 H 2.33600 0.15000 1.73800 1.000 H50 H 0.48100 2.16600 -1.08600 1.000 H51 H 0.37300 3.08700 0.44200 1.000 H52 H 2.45300 2.37700 1.16700 1.000 H53 H 2.74300 1.96700 -0.54400 1.000 H54 H -4.22200 0.78900 1.02300 1.000 H55 H 7.07800 1.22600 -0.62300 1.000 H56 H 5.63600 -1.52600 -0.64900 1.000 H57 H 5.30600 -0.27500 -1.87100 1.000 H58 H -5.88400 -3.02900 0.77500 1.000 H59 H -5.46400 -2.62300 -0.89600 1.000 H60 H -3.40700 -2.81400 0.45600 1.000 H61 H -4.05500 -1.66900 1.65400 1.000 H62 H -2.72600 -2.03200 -1.78700 1.000 H63 H -4.40700 -1.49300 -2.01800 1.000 H64 H -3.06200 -0.35800 -2.28800 1.000 H65 H 0.25600 -1.23500 2.19400 1.000 H66 H 0.83000 -2.28500 0.90300 1.000 H67 H -0.67900 2.18100 2.35500 1.000 H68 H -0.69600 0.42600 2.65300 1.000 H69 H 0.85400 1.29500 2.53700 1.000 H70 H -0.32700 -0.73100 -1.48800 1.000 H71 H 1.09800 0.30400 -1.74500 1.000 H72 H 1.30900 -1.42500 -1.37900 1.000 H73 H 2.26200 -2.37200 -0.05300 1.000 H74 H 4.02200 -2.41000 -0.31700 1.000 H75 H 3.37200 -2.00900 1.29100 1.000 H76 H 7.42100 -2.48900 0.56600 1.000 H77 H 7.15000 -2.37400 -1.19000 1.000 H78 H 8.80200 -2.56600 -0.55400 1.000