# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CIX' 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 8.25900 -0.55500 0.79400 1.000 C1 C 9.36400 0.06600 1.34700 1.000 C2 C 9.69900 1.35000 0.96100 1.000 C3 C 8.93100 2.01300 0.02300 1.000 C4 C 7.82600 1.39300 -0.52900 1.000 C5 C 7.49000 0.10800 -0.14400 1.000 C6 C 6.28600 -0.56900 -0.74600 1.000 O7 O 5.11400 -0.28000 0.06200 1.000 C8 C 3.94600 -0.81400 -0.34200 1.000 O9 O 3.90700 -1.50300 -1.34200 1.000 N10 N 2.82100 -0.58500 0.36300 1.000 C11 C 1.53300 -1.07400 -0.13500 1.000 C12 C 0.42900 -0.17400 0.35900 1.000 O13 O 0.65100 0.62900 1.24100 1.000 C14 C 1.29600 -2.49700 0.37400 1.000 C15 C 0.02600 -3.06200 -0.26600 1.000 C16 C 0.24400 -3.23100 -1.77100 1.000 C17 C -0.29800 -4.42100 0.35800 1.000 N18 N -0.80300 -0.26100 -0.17900 1.000 C19 C -1.84500 0.69000 0.21700 1.000 C20 C -3.20100 0.06900 0.00200 1.000 O21 O -3.28900 -1.05700 -0.43900 1.000 C22 C -1.72500 1.95900 -0.62900 1.000 C23 C -0.40000 2.65700 -0.31700 1.000 C24 C -0.22200 3.85600 -1.25100 1.000 C25 C -0.40600 3.13800 1.13500 1.000 C26 C -5.63400 0.16200 0.09100 1.000 C27 C -6.51700 0.42900 1.31100 1.000 C28 C -7.89400 -0.20100 1.09300 1.000 C29 C -7.75200 -1.72300 1.02100 1.000 C30 C -8.81600 0.17100 2.25500 1.000 N31 N -4.31600 0.76500 0.30000 1.000 B32 B -6.30000 0.78900 -1.18500 1.000 O33 O -7.20300 0.01900 -1.96600 1.000 O34 O -6.00100 2.12500 -1.55800 1.000 H35 H 7.99900 -1.56000 1.09200 1.000 H36 H 9.96400 -0.45200 2.08000 1.000 H37 H 10.56200 1.83600 1.39300 1.000 H38 H 9.19300 3.01700 -0.27800 1.000 H39 H 7.22500 1.91100 -1.26200 1.000 H40 H 6.12900 -0.19800 -1.75900 1.000 H41 H 6.45100 -1.64600 -0.77500 1.000 H42 H 2.86400 -0.09700 1.20000 1.000 H43 H 1.54100 -1.07400 -1.22500 1.000 H44 H 2.14700 -3.12400 0.10800 1.000 H45 H 1.18000 -2.48100 1.45700 1.000 H46 H -0.80400 -2.37700 -0.09400 1.000 H47 H -0.68300 -3.56300 -2.23700 1.000 H48 H 0.54700 -2.27700 -2.20300 1.000 H49 H 1.02500 -3.97200 -1.94400 1.000 H50 H -0.45400 -4.30100 1.43000 1.000 H51 H -1.20200 -4.82400 -0.09800 1.000 H52 H 0.53200 -5.10700 0.18600 1.000 H53 H -1.00100 -0.95300 -0.82900 1.000 H54 H -1.72400 0.94300 1.27100 1.000 H55 H -1.75700 1.69600 -1.68600 1.000 H56 H -2.55200 2.63000 -0.39700 1.000 H57 H 0.42300 1.95700 -0.46500 1.000 H58 H -1.04500 4.55600 -1.10300 1.000 H59 H 0.72200 4.35300 -1.02900 1.000 H60 H -0.21800 3.51400 -2.28600 1.000 H61 H 0.53900 3.63500 1.35700 1.000 H62 H -1.22800 3.83800 1.28300 1.000 H63 H -0.53200 2.28400 1.80000 1.000 H64 H -5.52300 -0.91400 -0.04900 1.000 H65 H -6.05400 -0.00600 2.19700 1.000 H66 H -6.62800 1.50500 1.45000 1.000 H67 H -8.31900 0.16800 0.15900 1.000 H68 H -8.73300 -2.17200 0.86600 1.000 H69 H -7.09500 -1.98900 0.19300 1.000 H70 H -7.32700 -2.09300 1.95500 1.000 H71 H -8.91700 1.25500 2.30600 1.000 H72 H -9.79700 -0.27800 2.10000 1.000 H73 H -8.39100 -0.19800 3.18900 1.000 H74 H -4.24500 1.66600 0.65200 1.000 H75 H -7.34400 -0.87800 -1.63400 1.000 H76 H -5.37700 2.56900 -0.96700 1.000