# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9LJ' 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 4.03400 2.43600 1.10400 1.000 C1 C 2.75300 2.12700 0.63400 1.000 C2 C 2.46100 0.81100 0.23400 1.000 C3 C 0.67500 2.09500 -0.02100 1.000 C4 C -1.40600 1.94200 -1.38200 1.000 C5 C -3.26200 3.39200 -0.94900 1.000 C6 C -1.28800 3.57200 0.39500 1.000 C7 C 1.33200 -1.50800 -0.91000 1.000 C8 C -0.66800 -0.72100 0.32600 1.000 C9 C 0.52600 -2.73700 -1.33800 1.000 C10 C 2.47800 -3.55500 -2.66600 1.000 C11 C 2.33500 -1.14800 -2.00800 1.000 C12 C 4.99400 1.45100 1.17200 1.000 C13 C 4.70000 0.15000 0.77600 1.000 C14 C 3.44000 -0.17000 0.30900 1.000 N15 N 1.62700 2.85900 0.45500 1.000 N16 N 1.14100 0.81700 -0.17500 1.000 C17 C 0.38300 -0.33100 -0.68100 1.000 C18 C 1.47600 -3.91400 -1.56700 1.000 C19 C 3.28400 -2.32600 -2.23800 1.000 O20 O -0.62500 -0.27300 1.45300 1.000 N21 N -1.65600 -1.56800 -0.02400 1.000 C22 C -2.63100 -1.92600 0.90600 1.000 C23 C -3.23600 -3.19000 0.84300 1.000 C24 C -4.21100 -3.53600 1.78100 1.000 C25 C -4.57400 -2.63500 2.76000 1.000 C26 C -3.97400 -1.38800 2.81900 1.000 C27 C -3.00400 -1.03400 1.90200 1.000 C28 C -2.85500 -4.12100 -0.17700 1.000 N29 N -2.55300 -4.85900 -0.98600 1.000 C30 C -0.69700 2.54400 -0.34200 1.000 C31 C -2.68300 2.36800 -1.68000 1.000 C32 C -2.56400 3.99300 0.08500 1.000 Cl33 Cl -4.86800 3.92800 -1.33400 1.000 F34 F 5.65200 -0.80600 0.84800 1.000 F35 F 6.23100 1.75000 1.62600 1.000 H36 H 4.27000 3.44500 1.40900 1.000 H37 H -0.95300 1.14600 -1.95600 1.000 H38 H -0.74400 4.04100 1.20100 1.000 H39 H 1.86800 -1.72900 0.01300 1.000 H40 H -0.18800 -2.99300 -0.55600 1.000 H41 H -0.00900 -2.51600 -2.26100 1.000 H42 H 3.15500 -4.39400 -2.82900 1.000 H43 H 1.94300 -3.33400 -3.58900 1.000 H44 H 1.79900 -0.92800 -2.93200 1.000 H45 H 2.90900 -0.27300 -1.70400 1.000 H46 H 3.21700 -1.18100 0.00300 1.000 H47 H -0.09800 -0.06200 -1.62200 1.000 H48 H 2.01100 -4.13500 -0.64400 1.000 H49 H 0.90200 -4.79000 -1.87200 1.000 H50 H 3.82000 -2.54600 -1.31400 1.000 H51 H 3.99900 -2.07000 -3.02000 1.000 H52 H -1.68800 -1.93000 -0.92400 1.000 H53 H -4.68200 -4.50700 1.73800 1.000 H54 H -5.33200 -2.90200 3.48100 1.000 H55 H -4.26500 -0.68900 3.58900 1.000 H56 H -2.54200 -0.06000 1.95400 1.000 H57 H -3.23300 1.90300 -2.48500 1.000 H58 H -3.02000 4.79200 0.65100 1.000