# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'I85' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 2.28900 0.12400 -0.20200 1.000 N1 N -8.06500 -1.59900 0.99600 1.000 C2 C -8.62500 -1.76700 -0.35100 1.000 C3 C -0.11000 -0.00400 -0.10300 1.000 N4 N 1.20600 -1.96000 -0.12200 1.000 N5 N -3.80900 -0.82100 0.06100 1.000 C6 C -6.29600 -0.12400 0.15900 1.000 N7 N -6.40400 2.35300 0.37300 1.000 C8 C -5.10300 2.54000 0.05000 1.000 C9 C -6.86600 -0.24400 -1.25600 1.000 C10 C -8.37300 -0.50000 -1.17200 1.000 C11 C -6.61100 -1.39900 0.94400 1.000 O12 O -4.66300 3.64100 -0.21800 1.000 C13 C -4.80300 0.06800 0.08700 1.000 C14 C -4.24500 1.34100 0.04000 1.000 C15 C -2.85400 1.18900 -0.01300 1.000 C16 C -2.60500 -0.15200 0.00000 1.000 C17 C -1.26900 -0.78200 -0.04200 1.000 C18 C -1.13000 -2.17700 -0.02300 1.000 C19 C 0.13300 -2.72600 -0.06500 1.000 C20 C 1.12400 -0.63800 -0.14100 1.000 C21 C -6.91800 1.08100 0.86300 1.000 C22 C 3.49200 -0.47800 -0.13700 1.000 C23 C 4.72500 0.33600 -0.08700 1.000 C24 C 4.64600 1.73000 -0.10800 1.000 C25 C 5.80000 2.48400 -0.06100 1.000 C26 C 7.03400 1.86200 0.00500 1.000 C27 C 7.12000 0.48100 0.02600 1.000 C28 C 5.97300 -0.28500 -0.01400 1.000 O29 O 3.56500 -1.69100 -0.11900 1.000 C30 C 8.46800 -0.18700 0.09800 1.000 F31 F 9.47100 0.78800 0.13400 1.000 F32 F 8.53900 -0.97100 1.25500 1.000 F33 F 8.64700 -0.99900 -1.02700 1.000 H34 H 2.23300 1.08800 -0.29500 1.000 H35 H -8.51700 -0.84000 1.48300 1.000 H36 H -8.14800 -2.61700 -0.84000 1.000 H37 H -9.69800 -1.94600 -0.27800 1.000 H38 H -0.17400 1.07400 -0.12300 1.000 H39 H -3.91600 -1.78500 0.08100 1.000 H40 H -7.01900 3.09600 0.27400 1.000 H41 H -6.68400 0.68200 -1.80100 1.000 H42 H -6.38400 -1.07300 -1.77400 1.000 H43 H -8.77700 -0.63100 -2.17600 1.000 H44 H -8.86100 0.34800 -0.69100 1.000 H45 H -6.22100 -1.30600 1.95800 1.000 H46 H -6.14400 -2.25300 0.45200 1.000 H47 H -2.12000 1.98000 -0.05600 1.000 H48 H -2.00200 -2.81300 0.02300 1.000 H49 H 0.24600 -3.80000 -0.05100 1.000 H50 H -7.99700 1.05700 0.71300 1.000 H51 H -6.71300 1.00800 1.93100 1.000 H52 H 3.68300 2.21600 -0.16000 1.000 H53 H 5.74000 3.56200 -0.07800 1.000 H54 H 7.93500 2.45700 0.04100 1.000 H55 H 6.04100 -1.36200 0.00700 1.000