# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JJH' 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 -5.58900 -0.08700 -0.06800 1.000 C1 C -5.49700 -2.48600 -0.53300 1.000 C2 C 0.49100 0.18700 -0.71100 1.000 C3 C -4.25100 2.34000 0.22400 1.000 C4 C -0.26400 0.99700 -1.77000 1.000 C5 C -6.19900 -3.83600 -0.36600 1.000 C6 C -1.76900 0.79100 -1.58500 1.000 C7 C -3.54500 1.17400 -0.08200 1.000 O8 O 8.64600 -1.25200 1.90500 1.000 C9 C 1.99400 0.43600 -0.85300 1.000 C10 C -6.29100 1.09400 0.23600 1.000 C11 C -1.48600 0.43000 0.79400 1.000 O12 O 12.64600 -0.01900 -0.99900 1.000 C13 C -8.38600 -0.29500 0.22700 1.000 C14 C -7.59200 -1.38400 -0.06700 1.000 C15 C -4.20900 -0.03300 -0.22800 1.000 C16 C -5.92200 -3.28600 -1.76700 1.000 C17 C 0.02700 0.62500 0.68100 1.000 N18 N -6.26400 -1.28100 -0.21100 1.000 N19 N -2.16200 1.22500 -0.23900 1.000 N20 N 8.21000 0.12600 0.18400 1.000 O21 O 0.21800 -1.20400 -0.89100 1.000 O22 O 2.69700 -0.31800 0.13700 1.000 O23 O -8.41100 2.01400 0.66100 1.000 O24 O -10.35200 -1.54400 0.24100 1.000 O25 O -10.60600 0.62200 0.66400 1.000 O26 O 10.32900 -0.21800 0.83800 1.000 C27 C -7.75300 1.02300 0.39700 1.000 C28 C -5.60800 2.30400 0.38000 1.000 C29 C -9.84000 -0.45000 0.37600 1.000 C30 C 4.05200 -0.20900 0.14900 1.000 C31 C 4.79800 -0.91500 1.08500 1.000 C32 C 4.69100 0.60200 -0.77600 1.000 C33 C 6.81300 0.01300 0.17300 1.000 C34 C 9.00900 0.95700 -0.73000 1.000 C35 C 10.46000 0.71400 -0.27400 1.000 C36 C 6.17600 -0.80400 1.09700 1.000 C37 C 6.06800 0.71300 -0.76500 1.000 C38 C 9.03600 -0.50000 1.03400 1.000 C39 C 11.28000 0.08900 -1.40500 1.000 F40 F -3.59000 3.51000 0.36300 1.000 F41 F 4.17600 -1.70900 1.98400 1.000 H42 H -4.43200 -2.44100 -0.30500 1.000 H43 H -0.02400 2.05500 -1.65700 1.000 H44 H 0.03100 0.66100 -2.76400 1.000 H45 H -5.59600 -4.67800 -0.02800 1.000 H46 H -7.23100 -3.82600 -0.01700 1.000 H47 H -2.30900 1.37800 -2.32800 1.000 H48 H -2.00900 -0.26500 -1.71100 1.000 H49 H 2.32200 0.12700 -1.84500 1.000 H50 H 2.20100 1.49700 -0.71600 1.000 H51 H -1.72800 -0.62400 0.65700 1.000 H52 H -1.82200 0.75400 1.77900 1.000 H53 H 13.22600 -0.40800 -1.66800 1.000 H54 H -8.05700 -2.35100 -0.19200 1.000 H55 H -3.65700 -0.93000 -0.46600 1.000 H56 H -6.77200 -2.91400 -2.33900 1.000 H57 H -5.13600 -3.76600 -2.35000 1.000 H58 H 0.53000 0.02200 1.43800 1.000 H59 H 0.27100 1.67600 0.83200 1.000 H60 H 0.66400 -1.77700 -0.25300 1.000 H61 H -11.55700 0.47000 0.75300 1.000 H62 H -6.15100 3.20800 0.61300 1.000 H63 H 4.11100 1.14700 -1.50700 1.000 H64 H 8.87200 0.63100 -1.76200 1.000 H65 H 8.74400 2.00900 -0.62200 1.000 H66 H 10.91700 1.64600 0.06000 1.000 H67 H 6.75600 -1.35200 1.82400 1.000 H68 H 6.56400 1.34500 -1.48700 1.000 H69 H 11.21400 0.71700 -2.29300 1.000 H70 H 10.88900 -0.90300 -1.63200 1.000