# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0C1' 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 -2.67900 3.33200 -1.06600 1.000 C1 C -1.38500 2.88600 -1.22400 1.000 C2 C 3.32800 3.29200 1.90100 1.000 C3 C 2.43800 4.00600 1.12100 1.000 C4 C 2.96200 1.35100 0.54000 1.000 C5 C -2.07500 0.69300 -0.47800 1.000 C6 C -1.43800 -0.61100 -0.25800 1.000 C7 C -3.67200 2.47700 -0.62100 1.000 C8 C 2.07700 2.06700 -0.24300 1.000 C9 C -1.06800 1.56100 -0.92900 1.000 C10 C -3.39600 1.15200 -0.33300 1.000 C11 C 3.59300 1.96500 1.60900 1.000 C12 C 1.81100 3.39400 0.04800 1.000 C13 C -0.09900 -0.45200 -0.58200 1.000 C14 C -3.25300 -3.90500 -0.21500 1.000 C15 C -2.64100 -2.74500 -0.69600 1.000 C16 C -3.31200 -4.14100 1.11800 1.000 C17 C -2.09300 -1.84700 0.21200 1.000 C18 C -2.17400 -2.13900 1.59800 1.000 C19 C 0.92300 -1.49700 -0.51200 1.000 C20 C -5.14800 2.69500 -0.34500 1.000 C21 C -5.50600 1.44100 0.48700 1.000 C22 C 2.93900 -3.35500 -2.22700 1.000 C23 C 1.40100 1.40300 -1.41400 1.000 N24 N 0.11100 0.85400 -0.98700 1.000 N25 N -2.78000 -3.26900 2.01000 1.000 N26 N 2.21900 -1.18500 -0.70800 1.000 O27 O -1.70000 -1.36600 2.41400 1.000 O28 O 0.60200 -2.64800 -0.27800 1.000 O29 O 3.12400 -3.13900 0.42600 1.000 O30 O 4.58700 -1.69200 -0.94600 1.000 O31 O -4.51600 0.48800 0.06100 1.000 F32 F 4.46700 1.26900 2.36800 1.000 F33 F 0.94100 4.09200 -0.71400 1.000 S34 S 3.36100 -2.38400 -0.75400 1.000 H35 H -2.92000 4.36100 -1.28800 1.000 H36 H -0.61800 3.56100 -1.57400 1.000 H37 H 3.81900 3.77100 2.73400 1.000 H38 H 2.23000 5.04100 1.34800 1.000 H39 H 3.16900 0.31600 0.31300 1.000 H40 H -3.68400 -4.61400 -0.90800 1.000 H41 H -2.59400 -2.54900 -1.75700 1.000 H42 H -3.79300 -5.03900 1.47700 1.000 H43 H -5.30600 3.60500 0.23400 1.000 H44 H -5.71800 2.72200 -1.27400 1.000 H45 H -5.41400 1.64500 1.55300 1.000 H46 H -6.51000 1.09100 0.24700 1.000 H47 H 1.93200 -3.75600 -2.12100 1.000 H48 H 2.98500 -2.71500 -3.10800 1.000 H49 H 3.64800 -4.17500 -2.33600 1.000 H50 H 1.23900 2.13600 -2.20400 1.000 H51 H 2.03200 0.59700 -1.79000 1.000 H52 H 2.48400 -0.25900 -0.82200 1.000 H53 H -2.83200 -3.46300 2.95900 1.000