# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XH' 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 7.62800 2.29300 -0.84500 1.000 C1 C 7.54100 2.95900 -2.05200 1.000 C2 C 6.55500 2.61900 -2.95900 1.000 C3 C 5.65700 1.61300 -2.65700 1.000 C4 C 5.74400 0.94500 -1.44800 1.000 C5 C 6.72900 1.28500 -0.54200 1.000 C6 C 6.59600 0.40500 0.67500 1.000 C7 C 3.81600 -2.28200 0.92300 1.000 N8 N 3.80500 -3.50600 1.73500 1.000 C9 C 1.34800 -2.28900 0.67800 1.000 C10 C -1.06400 -2.54900 0.31900 1.000 C11 C -1.90000 -1.64200 -0.58900 1.000 C12 C -1.00100 0.35700 0.44900 1.000 C13 C -3.16100 0.42500 -0.64300 1.000 C14 C -4.39500 -0.38200 -0.95500 1.000 C15 C -6.65900 -1.86300 -1.52700 1.000 C16 C -4.99500 -0.27500 -2.19600 1.000 C17 C -3.54500 1.63800 0.16500 1.000 C18 C -3.76300 1.52000 1.52500 1.000 C19 C -4.11500 2.63100 2.26700 1.000 C20 C -4.24800 3.86300 1.64900 1.000 C21 C -4.02900 3.97900 0.28700 1.000 C22 C -3.67200 2.86800 -0.45300 1.000 N23 N 5.45800 -0.49300 0.45400 1.000 C24 C 4.91300 -0.17200 -0.86800 1.000 C25 C 5.00400 -1.43700 1.30200 1.000 O26 O 5.55200 -1.60700 2.37100 1.000 C27 C 2.52900 -1.49300 1.17200 1.000 O28 O 1.51900 -3.38100 0.17700 1.000 N29 N 0.10200 -1.78900 0.79400 1.000 N30 N -2.21900 -0.39800 0.12600 1.000 C31 C -0.12800 -0.46800 1.40000 1.000 C32 C -4.92200 -1.23400 -0.00200 1.000 C33 C -6.05400 -1.97400 -0.28700 1.000 F34 F -7.76500 -2.58700 -1.80700 1.000 C35 C -6.12700 -1.01400 -2.48300 1.000 F36 F -4.59300 4.95000 2.37300 1.000 H37 H 8.40200 2.55500 -0.13900 1.000 H38 H 8.24300 3.74500 -2.28700 1.000 H39 H 6.48600 3.13900 -3.90300 1.000 H40 H 4.88600 1.34800 -3.36600 1.000 H41 H 7.50700 -0.17900 0.81000 1.000 H42 H 3.88100 -2.54800 -0.13200 1.000 H43 H 3.74500 -3.28600 2.71900 1.000 H44 H 3.05400 -4.11900 1.45600 1.000 H45 H -1.66500 -2.86800 1.17100 1.000 H46 H -0.73200 -3.42300 -0.24200 1.000 H47 H -1.33400 -1.40800 -1.49000 1.000 H48 H -2.82400 -2.15100 -0.86200 1.000 H49 H -0.44700 0.56300 -0.46700 1.000 H50 H -1.27300 1.29800 0.92800 1.000 H51 H -2.69000 0.74300 -1.57400 1.000 H52 H -4.57900 0.38700 -2.94100 1.000 H53 H -3.65900 0.55900 2.00700 1.000 H54 H -4.28600 2.53900 3.33000 1.000 H55 H -4.13300 4.93900 -0.19700 1.000 H56 H -3.49800 2.95900 -1.51500 1.000 H57 H 3.87600 0.15000 -0.77300 1.000 H58 H 2.41900 -1.30500 2.24000 1.000 H59 H 2.57500 -0.54400 0.63800 1.000 H60 H 0.82600 0.03600 1.55200 1.000 H61 H -0.63900 -0.58800 2.35500 1.000 H62 H -4.45000 -1.32000 0.96500 1.000 H63 H -6.46800 -2.63600 0.45900 1.000 H64 H -6.59800 -0.92700 -3.45100 1.000 H65 H 4.97000 -1.04800 -1.51400 1.000 H66 H 6.41600 1.01900 1.55700 1.000