# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4T' 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 0.53700 2.04200 -0.14500 1.000 C1 C 1.26000 3.24900 -0.22000 1.000 C2 C 2.56300 3.31000 0.22400 1.000 O3 O 0.66900 4.35800 -0.73400 1.000 C4 C 2.45500 0.96200 0.82900 1.000 C5 C 3.17400 2.17400 0.75100 1.000 C6 C 3.36600 -0.01600 1.42000 1.000 C7 C 3.05300 -1.46200 1.70500 1.000 C8 C 3.40800 -2.29900 0.50400 1.000 C9 C 2.46800 -2.52500 -0.48400 1.000 C10 C 2.79500 -3.28900 -1.58900 1.000 C11 C 4.67700 -2.83700 0.38600 1.000 C12 C -0.31900 -0.06700 -1.80800 1.000 C13 C -2.60900 1.00900 -2.00100 1.000 C14 C -4.18500 0.91000 -0.05900 1.000 C15 C -5.02600 0.21300 0.78800 1.000 C16 C 1.13600 0.90300 0.38000 1.000 C17 C -0.85900 1.98900 -0.61800 1.000 N18 N -1.25100 1.00500 -1.45100 1.000 O19 O -1.65600 2.83300 -0.25500 1.000 N20 N 4.42000 1.92500 1.26000 1.000 N21 N 4.49600 0.58600 1.65500 1.000 C22 C 4.06400 -3.82600 -1.70600 1.000 C23 C 5.00300 -3.60400 -0.71600 1.000 C24 C -3.52600 0.24800 -1.07800 1.000 C25 C -5.20800 -1.14800 0.61500 1.000 C26 C -4.54900 -1.81000 -0.40500 1.000 C27 C -3.70800 -1.11100 -1.25100 1.000 Cl28 Cl -6.26400 -2.02400 1.67900 1.000 H29 H 3.11100 4.23800 0.16300 1.000 H30 H 0.21300 4.90000 -0.07700 1.000 H31 H 3.63300 -1.79600 2.56500 1.000 H32 H 1.99000 -1.56800 1.92100 1.000 H33 H 1.47700 -2.10500 -0.39200 1.000 H34 H 2.06000 -3.46600 -2.36000 1.000 H35 H 5.41300 -2.65600 1.15600 1.000 H36 H -0.34800 -0.84300 -1.04300 1.000 H37 H -0.60600 -0.49300 -2.77000 1.000 H38 H 0.69100 0.33700 -1.87800 1.000 H39 H -2.96000 2.03600 -2.09600 1.000 H40 H -2.60500 0.53400 -2.98200 1.000 H41 H -4.04600 1.97300 0.07300 1.000 H42 H -5.54000 0.73000 1.58400 1.000 H43 H 0.58400 -0.02300 0.43800 1.000 H44 H 5.13600 2.57500 1.33600 1.000 H45 H 4.31900 -4.42300 -2.56900 1.000 H46 H 5.99400 -4.02400 -0.80800 1.000 H47 H -4.69100 -2.87200 -0.54100 1.000 H48 H -3.19300 -1.62800 -2.04800 1.000