# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CA4' 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 0.24100 -1.00800 -4.44200 1.000 C1 C -0.15000 -2.63300 0.88700 1.000 C2 C 0.54400 -1.28800 -3.15900 1.000 C3 C 0.17500 -0.38000 -2.06100 1.000 C4 C 1.11800 -4.52200 -0.95300 1.000 C5 C 0.23400 -0.73500 -0.76600 1.000 C6 C 0.67700 -2.09100 -0.28700 1.000 C7 C 0.61300 -3.13900 -1.43900 1.000 C8 C 1.28000 -2.59200 -2.75000 1.000 C9 C 0.37200 -5.00800 0.30600 1.000 C10 C 0.41400 -3.96900 1.44000 1.000 C11 C 0.52400 -1.93000 -5.56600 1.000 C12 C 2.77500 -2.23100 -2.53500 1.000 C13 C 1.25000 -3.68200 -3.81900 1.000 C14 C -0.02900 -4.17400 -4.44800 1.000 C15 C 0.92600 -3.30900 -5.23500 1.000 O16 O 0.38800 -1.57800 -6.73100 1.000 Cl17 Cl -0.30900 1.25900 -2.40700 1.000 C18 C 1.87100 -3.85200 1.97200 1.000 C19 C -0.31600 -1.78000 2.14200 1.000 C20 C -0.74700 -2.78300 3.23200 1.000 C21 C -0.56600 -4.19100 2.62000 1.000 C22 C -0.12300 -5.21400 3.62200 1.000 C23 C 0.07800 -6.61600 3.11400 1.000 O24 O 0.06400 -4.92200 4.80300 1.000 O25 O -1.82500 -4.67200 2.15700 1.000 C26 C -2.79200 -4.81400 3.11100 1.000 C27 C -4.05300 -5.32300 2.48200 1.000 O28 O -2.67100 -4.56900 4.30400 1.000 H29 H -0.25700 -0.09200 -4.74000 1.000 H30 H -1.16900 -2.80900 0.50200 1.000 H31 H 2.19500 -4.48900 -0.75900 1.000 H32 H 0.96800 -5.27600 -1.73400 1.000 H33 H -0.00100 -0.00000 0.00000 1.000 H34 H 1.71300 -1.96200 0.04400 1.000 H35 H -0.45300 -3.29400 -1.67900 1.000 H36 H -0.66500 -5.22400 0.02000 1.000 H37 H 0.80300 -5.95900 0.64100 1.000 H38 H 3.11400 -1.52500 -3.29900 1.000 H39 H 2.92200 -1.77200 -1.55200 1.000 H40 H 3.39900 -3.12700 -2.59300 1.000 H41 H 2.02500 -4.42900 -3.67500 1.000 H42 H -0.97100 -3.75200 -4.12000 1.000 H43 H -0.08600 -5.22400 -4.71100 1.000 H44 H 1.51400 -3.80600 -6.00100 1.000 H45 H 2.37200 -2.98500 1.53200 1.000 H46 H 1.87500 -3.73800 3.06000 1.000 H47 H 2.44600 -4.74800 1.71700 1.000 H48 H -1.07100 -0.99800 2.01000 1.000 H49 H 0.62200 -1.28800 2.42200 1.000 H50 H -0.12700 -2.63700 4.12400 1.000 H51 H -1.78800 -2.59800 3.51900 1.000 H52 H -0.86200 -6.99800 2.71000 1.000 H53 H 0.85000 -6.61700 2.34100 1.000 H54 H 0.39900 -7.26300 3.93500 1.000 H55 H -3.87400 -6.30300 2.03300 1.000 H56 H -4.40600 -4.61300 1.73100 1.000 H57 H -4.82500 -5.42800 3.25100 1.000