# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CHC' 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 -2.33700 0.78600 3.62800 1.000 C1 C -2.44200 -0.68600 4.02600 1.000 C2 C -1.33900 -1.02300 5.03300 1.000 O3 O -1.43700 -2.40000 5.40300 1.000 C4 C 0.02700 -0.76000 4.39800 1.000 C5 C 0.17900 0.69300 3.98700 1.000 C6 C 1.55300 0.88700 3.34300 1.000 C7 C 1.66300 0.00500 2.09800 1.000 O8 O 1.50200 -1.36400 2.46900 1.000 C9 C 0.57200 0.39500 1.09900 1.000 C10 C -0.80300 0.18100 1.75000 1.000 C11 C -0.97000 1.05100 2.99600 1.000 C12 C -1.96300 0.45500 0.74700 1.000 C13 C -1.79300 -0.31900 -0.56900 1.000 C14 C -0.42800 0.03100 -1.12700 1.000 C15 C 0.65300 -0.47900 -0.13700 1.000 C16 C 1.93800 -0.35500 -0.96200 1.000 C17 C 1.49800 -0.85400 -2.36600 1.000 C18 C -0.03400 -0.64200 -2.44400 1.000 C19 C -0.29800 1.54900 -1.26400 1.000 C20 C -0.86600 2.52600 2.60500 1.000 C21 C -0.38600 0.25000 -3.63600 1.000 C22 C -1.89800 0.47600 -3.67400 1.000 C23 C 0.06000 -0.42900 -4.93100 1.000 C24 C -0.29000 0.46300 -6.12300 1.000 C25 C 0.14900 -0.20600 -7.39900 1.000 C26 C 4.01800 0.69200 3.69800 1.000 C27 C 2.64400 0.49800 4.34200 1.000 O28 O -0.05700 0.39700 -8.58000 1.000 O29 O 0.68900 -1.28600 -7.36000 1.000 H30 H -2.45500 1.41100 4.51300 1.000 H31 H -3.12200 1.02400 2.90900 1.000 H32 H -3.41600 -0.87200 4.47900 1.000 H33 H -2.32800 -1.31100 3.14000 1.000 H34 H -1.45400 -0.39900 5.92000 1.000 H35 H -2.31100 -2.52200 5.79700 1.000 H36 H 0.81200 -1.00100 5.11400 1.000 H37 H 0.14100 -1.38300 3.51000 1.000 H38 H 0.07500 1.33100 4.86500 1.000 H39 H 1.67600 1.93300 3.05900 1.000 H40 H 2.64200 0.14500 1.63900 1.000 H41 H 2.20700 -1.56900 3.09800 1.000 H42 H 0.68800 1.44200 0.81800 1.000 H43 H -0.83100 -0.86700 2.04500 1.000 H44 H -1.94800 1.52400 0.53700 1.000 H45 H -2.92300 0.19400 1.19300 1.000 H46 H -2.56900 -0.02400 -1.27500 1.000 H47 H -1.85200 -1.39100 -0.37900 1.000 H48 H 0.46800 -1.52100 0.12300 1.000 H49 H 2.26800 0.68200 -1.00800 1.000 H50 H 2.72200 -0.99200 -0.55400 1.000 H51 H 1.99600 -0.27400 -3.14200 1.000 H52 H 1.73600 -1.91200 -2.47800 1.000 H53 H -0.54400 -1.60200 -2.52800 1.000 H54 H -0.97400 1.90400 -2.04200 1.000 H55 H -0.55400 2.02200 -0.31600 1.000 H56 H 0.72700 1.80300 -1.53000 1.000 H57 H -0.98500 3.14700 3.49300 1.000 H58 H 0.10900 2.71600 2.15800 1.000 H59 H -1.64800 2.76700 1.88600 1.000 H60 H 0.12200 1.20800 -3.53400 1.000 H61 H -2.40700 -0.48100 -3.77600 1.000 H62 H -2.21700 0.96100 -2.75100 1.000 H63 H -2.14900 1.11200 -4.52300 1.000 H64 H 1.13800 -0.59000 -4.90400 1.000 H65 H -0.44700 -1.38800 -5.03300 1.000 H66 H -1.36800 0.62400 -6.15100 1.000 H67 H 0.21700 1.42200 -6.02200 1.000 H68 H 4.79500 0.41500 4.41000 1.000 H69 H 4.09600 0.06400 2.81100 1.000 H70 H 4.14200 1.73800 3.41400 1.000 H71 H 2.52000 -0.54700 4.62500 1.000 H72 H 2.56600 1.12700 5.22900 1.000 H73 H 0.22400 -0.03100 -9.39900 1.000