# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HI' 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 -0.41400 0.18200 0.09000 1.000 N1 N 3.65700 4.60500 -3.73100 1.000 C2 C 0.04200 -1.08900 -0.14500 1.000 C3 C 0.34000 2.24800 1.38600 1.000 C4 C -1.65700 0.75100 -0.43600 1.000 C5 C -2.81800 0.38400 0.49200 1.000 C6 C -5.27600 0.62300 0.86700 1.000 C7 C 1.53600 3.07100 0.90400 1.000 C8 C -1.52300 -4.33300 -1.20400 1.000 C9 C 5.07200 2.64200 0.46800 1.000 C10 C 5.12600 3.65900 -0.45800 1.000 C11 C -0.98100 -1.83500 -2.28900 1.000 C12 C 3.55500 -3.99100 -0.54700 1.000 C13 C -1.60300 -2.80000 -3.05300 1.000 C14 C 3.47200 1.46900 -0.90500 1.000 C15 C 3.69700 -4.70300 0.63300 1.000 O16 O 5.12700 5.63600 -2.42400 1.000 C17 C 4.40600 4.67600 -2.61300 1.000 C18 C 4.35000 3.58800 -1.61800 1.000 C19 C 3.52100 2.48300 -1.83500 1.000 C20 C 4.24600 1.54300 0.24900 1.000 N21 N 4.19800 0.51500 1.18400 1.000 S22 S 2.89100 0.37200 2.19100 1.000 O23 O 3.12700 -0.77700 2.99300 1.000 O24 O 2.65900 1.66400 2.73400 1.000 C25 C 1.49500 -0.00300 1.18400 1.000 C26 C 1.24200 -1.23300 0.53200 1.000 C27 C 2.09600 -2.44400 0.56700 1.000 C28 C 2.76000 -2.86400 -0.58500 1.000 C29 C 2.23800 -3.16600 1.75100 1.000 C30 C 3.03900 -4.28900 1.78000 1.000 F31 F 4.48000 -5.80300 0.66600 1.000 C32 C 0.47600 0.83000 0.89600 1.000 C33 C 0.29900 2.25700 2.91600 1.000 C34 C -0.62400 -2.11700 -0.96800 1.000 C35 C -1.87500 -4.04700 -2.51400 1.000 C36 C -0.90100 -3.37600 -0.43000 1.000 F37 F -2.48400 -4.98800 -3.26700 1.000 C38 C -4.13200 0.87800 -0.11600 1.000 O39 O -4.38600 0.17700 -1.33500 1.000 C40 C -6.56800 1.22800 0.31400 1.000 O41 O -6.94000 0.54400 -0.88400 1.000 C42 C -7.68400 1.08300 1.35100 1.000 C43 C -8.92200 1.78600 0.85900 1.000 O44 O -8.91300 2.34600 -0.21200 1.000 O45 O -10.03500 1.79100 1.60900 1.000 H46 H 3.69400 5.32100 -4.38500 1.000 H47 H 3.08100 3.83900 -3.88200 1.000 H48 H -0.58000 2.68100 0.99500 1.000 H49 H -1.56600 1.83600 -0.49100 1.000 H50 H -1.84800 0.35100 -1.43100 1.000 H51 H -2.85800 -0.69800 0.61300 1.000 H52 H -2.66800 0.85400 1.46400 1.000 H53 H -5.40600 -0.45100 1.00200 1.000 H54 H -5.04100 1.08400 1.82700 1.000 H55 H 1.42100 3.29200 -0.15700 1.000 H56 H 1.58600 4.00400 1.46500 1.000 H57 H 2.45400 2.50400 1.05900 1.000 H58 H -1.74100 -5.30500 -0.78700 1.000 H59 H 5.67500 2.69400 1.36200 1.000 H60 H 5.76700 4.51100 -0.28800 1.000 H61 H -0.77000 -0.86400 -2.71100 1.000 H62 H 4.07000 -4.31800 -1.43900 1.000 H63 H -1.87900 -2.58300 -4.07500 1.000 H64 H 2.83100 0.61600 -1.07200 1.000 H65 H 2.92100 2.42500 -2.73100 1.000 H66 H 4.92900 -0.11900 1.24600 1.000 H67 H 2.65400 -2.30800 -1.50500 1.000 H68 H 1.72500 -2.84400 2.64600 1.000 H69 H 3.14900 -4.84900 2.69700 1.000 H70 H 0.96300 1.48400 3.30200 1.000 H71 H 0.62300 3.23100 3.28200 1.000 H72 H -0.72000 2.06300 3.25300 1.000 H73 H -0.62700 -3.60000 0.59100 1.000 H74 H -4.05900 1.94700 -0.32000 1.000 H75 H -4.46300 -0.78100 -1.22900 1.000 H76 H -6.41000 2.28400 0.09600 1.000 H77 H -7.09700 -0.40300 -0.76400 1.000 H78 H -7.90300 0.02600 1.50400 1.000 H79 H -7.36400 1.52800 2.29400 1.000 H80 H -10.80400 2.25500 1.25100 1.000