# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '06X' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -2.90100 -2.32100 0.68800 1.000 C1 C -2.12300 -1.74900 -0.75500 1.000 C2 C -2.36100 -2.37600 -1.96400 1.000 C3 C -1.74200 -1.92000 -3.11300 1.000 C4 C -0.88400 -0.83700 -3.05300 1.000 C5 C -0.64600 -0.21000 -1.84400 1.000 C6 C -1.26900 -0.66100 -0.69600 1.000 C7 C -1.00900 0.02200 0.62200 1.000 C8 C 0.45600 -0.06300 0.94200 1.000 C9 C 0.99300 -1.28700 1.40500 1.000 O10 O 0.85000 -1.61300 2.56900 1.000 O11 O 1.66300 -2.09400 0.55500 1.000 C12 C 2.17800 -3.31500 1.09000 1.000 C13 C 2.90000 -4.09000 -0.01300 1.000 C14 C -1.45100 1.45500 0.53100 1.000 C15 C -2.83200 1.75800 0.58100 1.000 O16 O -3.41200 1.77900 1.65000 1.000 O17 O -3.50600 2.02400 -0.55800 1.000 C18 C -4.89800 2.32100 -0.43300 1.000 C19 C -0.56300 2.45600 0.40500 1.000 C20 C -1.05200 3.87800 0.30900 1.000 N21 N 0.78100 2.20000 0.36200 1.000 C22 C 1.26800 0.99800 0.79900 1.000 C23 C 2.73300 0.86400 1.12500 1.000 O24 O 3.50400 1.03500 -0.06600 1.000 C25 C 4.91500 0.92600 0.13400 1.000 C26 C 5.63600 1.12500 -1.20100 1.000 N27 N 5.41600 2.49800 -1.67600 1.000 H28 H -3.03100 -3.22200 -2.01200 1.000 H29 H -1.92700 -2.41000 -4.05700 1.000 H30 H -0.40000 -0.48100 -3.95000 1.000 H31 H 0.02500 0.63500 -1.79700 1.000 H32 H 2.87700 -3.09200 1.89500 1.000 H33 H 1.35600 -3.91700 1.47900 1.000 H34 H 3.29300 -5.02200 0.39500 1.000 H35 H 2.20000 -4.31300 -0.81900 1.000 H36 H 3.72200 -3.48900 -0.40200 1.000 H37 H -5.41100 1.47400 0.02000 1.000 H38 H -5.02600 3.20300 0.19600 1.000 H39 H -5.31800 2.51500 -1.42000 1.000 H40 H -1.06200 4.32700 1.30200 1.000 H41 H -0.38800 4.44800 -0.34100 1.000 H42 H -2.06100 3.88800 -0.10400 1.000 H43 H 3.01500 1.62500 1.85300 1.000 H44 H 2.92300 -0.12500 1.54200 1.000 H45 H 5.24100 1.68900 0.84100 1.000 H46 H 5.15000 -0.06200 0.53000 1.000 H47 H 6.70400 0.95400 -1.06600 1.000 H48 H 5.24500 0.42000 -1.93400 1.000 H49 H 5.88200 2.65400 -2.55700 1.000 H50 H 4.43000 2.70200 -1.74700 1.000 H51 H -1.57800 -0.47900 1.40500 1.000 H52 H 1.39000 2.87200 0.02000 1.000