# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0LJ' 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 -1.05100 0.06900 -0.43300 1.000 C1 C 2.76400 0.04900 -0.45800 1.000 C2 C 4.12900 0.23900 1.51400 1.000 C3 C 4.57700 -2.35300 1.66700 1.000 C4 C 4.34300 -3.59400 1.10400 1.000 C5 C 3.01100 -2.56800 -0.59800 1.000 C6 C -5.62100 -1.07900 -0.75500 1.000 C7 C -6.00500 -0.02700 0.05600 1.000 C8 C -5.08000 0.93100 0.43800 1.000 C9 C -3.76800 0.83600 0.00900 1.000 C10 C -3.38100 -0.22000 -0.80500 1.000 C11 C -4.31100 -1.18100 -1.18200 1.000 Cl12 Cl -7.65100 0.09400 0.59600 1.000 F13 F -5.45800 1.95800 1.23000 1.000 N14 N -2.05700 -0.31900 -1.24100 1.000 O15 O -1.29700 0.58300 0.63900 1.000 C16 C 0.36700 -0.13700 -0.85400 1.000 N17 N 1.37300 0.25200 -0.04500 1.000 O18 O 0.61400 -0.65500 -1.92300 1.000 C19 C 3.69000 1.04500 0.27200 1.000 C20 C 4.02700 -1.21700 1.09800 1.000 C21 C 3.24300 -1.32400 -0.03500 1.000 N22 N 4.84600 1.38800 -0.56000 1.000 C23 C 3.55900 -3.70100 -0.03000 1.000 C24 C 5.56900 2.52700 -0.29600 1.000 N25 N 5.22700 3.30100 0.69600 1.000 N26 N 6.65300 2.85000 -1.07700 1.000 H27 H 2.85900 0.16600 -1.53800 1.000 H28 H 5.15700 0.48500 1.78100 1.000 H29 H 3.46100 0.44100 2.35100 1.000 H30 H 5.18900 -2.27100 2.55300 1.000 H31 H 4.77300 -4.47900 1.54900 1.000 H32 H 2.39800 -2.65200 -1.48300 1.000 H33 H -6.34400 -1.82400 -1.05200 1.000 H34 H -3.04700 1.58400 0.30300 1.000 H35 H -4.01200 -2.00300 -1.81500 1.000 H36 H -1.86200 -0.66800 -2.12500 1.000 H37 H 1.17700 0.66600 0.80900 1.000 H38 H 3.14200 1.94000 0.56500 1.000 H39 H 5.10000 0.81300 -1.29800 1.000 H40 H 3.37600 -4.66900 -0.47000 1.000 H41 H 4.46200 3.07300 1.24700 1.000 H42 H 6.90800 2.27400 -1.81500 1.000 H43 H 7.16400 3.65300 -0.89100 1.000