# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94C' 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 6.18000 0.85100 1.40700 1.000 C1 C 6.84800 1.08300 0.21900 1.000 C2 C 4.85300 0.47000 1.39400 1.000 C3 C 6.19400 0.93500 -0.99000 1.000 C4 C 0.43800 0.54300 0.17600 1.000 C5 C -0.56300 -3.41900 -0.01100 1.000 C6 C 0.07800 -0.80800 0.11200 1.000 C7 C 4.18500 0.32400 0.18000 1.000 C8 C 2.75900 -0.08400 0.15900 1.000 C9 C 1.08100 -1.80800 0.07100 1.000 C10 C 4.86500 0.55400 -1.01700 1.000 C11 C 2.43100 -1.43000 0.09600 1.000 C12 C 1.75400 0.89400 0.19400 1.000 C13 C -1.27600 -1.22100 0.08600 1.000 C14 C -8.48100 0.87700 -0.87900 1.000 C15 C -6.97600 0.85700 -1.15200 1.000 C16 C -6.22900 0.78000 0.15400 1.000 C17 C -3.12500 -0.47400 1.32500 1.000 C18 C -3.11400 -0.36300 -1.09700 1.000 C19 C -4.13300 0.67700 1.42300 1.000 C20 C -4.12000 0.79200 -1.09900 1.000 N21 N 0.70700 -3.09500 0.01000 1.000 N22 N -1.53500 -2.52000 0.02500 1.000 N23 N -2.29900 -0.29700 0.12300 1.000 N24 N -4.88100 0.75100 0.15900 1.000 O25 O -6.84000 0.74600 1.20100 1.000 F26 F 4.22600 0.40900 -2.19800 1.000 F27 F 3.40200 -2.36800 0.05700 1.000 Cl28 Cl 2.19300 2.57200 0.27300 1.000 H29 H 6.69800 0.96400 2.34800 1.000 H30 H 7.88600 1.38100 0.23500 1.000 H31 H 4.33400 0.28500 2.32300 1.000 H32 H 6.72200 1.11300 -1.91500 1.000 H33 H -0.32600 1.30600 0.20600 1.000 H34 H -0.82900 -4.46400 -0.06000 1.000 H35 H -8.76600 -0.03200 -0.35000 1.000 H36 H -8.72700 1.74500 -0.26800 1.000 H37 H -9.02100 0.93200 -1.82400 1.000 H38 H -6.72900 -0.01200 -1.76300 1.000 H39 H -6.69000 1.76600 -1.68200 1.000 H40 H -2.48700 -0.47500 2.20900 1.000 H41 H -3.66000 -1.42200 1.26300 1.000 H42 H -3.64900 -1.31200 -1.12700 1.000 H43 H -2.46700 -0.28300 -1.97100 1.000 H44 H -4.82200 0.49100 2.24700 1.000 H45 H -3.60200 1.61400 1.59000 1.000 H46 H -3.58900 1.74100 -1.17400 1.000 H47 H -4.80200 0.68300 -1.94300 1.000