# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJD' 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 -0.93300 -2.08000 0.21200 1.000 C1 C -0.69100 -0.76200 0.60500 1.000 C2 C -1.71900 0.17800 0.56400 1.000 C3 C 0.66900 -0.38200 1.04100 1.000 C4 C 1.51900 -2.43100 0.01100 1.000 C5 C 3.85900 -0.22100 0.38500 1.000 C6 C 4.76100 1.79400 -0.56800 1.000 C7 C 6.28200 1.74100 -2.51400 1.000 C8 C 4.07200 2.61100 2.27100 1.000 C9 C -4.01800 1.58800 -1.24300 1.000 C10 C -2.97300 -0.20000 0.11900 1.000 C11 C -3.20400 -1.50300 -0.28200 1.000 C12 C -2.18500 -2.44300 -0.23700 1.000 Cl13 Cl -1.42900 1.81300 1.07000 1.000 N14 N 1.69400 -1.22700 0.82100 1.000 C15 C 0.17600 -3.09500 0.30100 1.000 C16 C 3.00600 -0.93500 1.40200 1.000 C17 C 3.95600 1.15800 0.39700 1.000 C18 C 5.42200 1.05500 -1.48400 1.000 N19 N 5.33100 -0.30100 -1.48200 1.000 C20 C 4.56700 -0.94500 -0.58100 1.000 O21 O 4.49200 -2.16400 -0.60500 1.000 O22 O 3.28600 1.88700 1.32300 1.000 O23 O 0.86100 0.68300 1.59400 1.000 Cl24 Cl -2.48700 -4.07500 -0.74400 1.000 C25 C -4.09000 0.81000 0.07200 1.000 C26 C -5.18300 2.57600 -1.44600 1.000 O27 O -4.17400 3.49600 -1.90800 1.000 C28 C -3.11900 2.83800 -1.17800 1.000 O29 O -5.34600 0.13500 0.15800 1.000 C30 C -6.11900 0.48900 1.30700 1.000 H31 H 1.56500 -2.16300 -1.04400 1.000 H32 H 2.32100 -3.13400 0.23700 1.000 H33 H 4.85000 2.87100 -0.57500 1.000 H34 H 7.29700 1.84400 -2.12900 1.000 H35 H 6.29900 1.14700 -3.42800 1.000 H36 H 5.87300 2.72800 -2.72900 1.000 H37 H 4.75900 1.92800 2.77100 1.000 H38 H 4.64100 3.38500 1.75600 1.000 H39 H 3.41700 3.07200 3.01000 1.000 H40 H -3.82700 0.95000 -2.10600 1.000 H41 H -4.18300 -1.79000 -0.63400 1.000 H42 H 0.19300 -3.52300 1.30300 1.000 H43 H -0.00000 -3.88800 -0.42600 1.000 H44 H 3.49100 -1.86700 1.69200 1.000 H45 H 2.88200 -0.30200 2.28100 1.000 H46 H -3.99100 1.50100 0.90900 1.000 H47 H -5.89000 2.27100 -2.21800 1.000 H48 H -5.66900 2.88100 -0.51900 1.000 H49 H -2.97400 3.22400 -0.16900 1.000 H50 H -2.18900 2.74100 -1.73800 1.000 H51 H -7.06200 -0.05800 1.29300 1.000 H52 H -5.56500 0.23400 2.21000 1.000 H53 H -6.32000 1.56000 1.29300 1.000 H54 H 5.82100 -0.81300 -2.14500 1.000