# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C6H' 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 4.20100 -2.68400 2.04000 1.000 O1 O 4.49500 -2.34900 0.68300 1.000 C2 C 4.42900 -1.03800 0.34500 1.000 C3 C 3.22600 -0.48300 -0.11100 1.000 C4 C 2.03000 -1.32100 -0.23100 1.000 O5 O 2.08100 -2.49600 0.06400 1.000 C6 C 0.73700 -0.72200 -0.72200 1.000 C7 C -0.34500 -1.80300 -0.75400 1.000 C8 C -1.65800 -1.19600 -1.25200 1.000 C9 C -2.70800 -2.30000 -1.40300 1.000 C10 C -4.03600 -1.67900 -1.84300 1.000 N11 N -4.47300 -0.69600 -0.84300 1.000 C12 C -5.81000 -0.18000 -1.16200 1.000 C13 C -6.33400 0.64200 0.01700 1.000 C14 C -7.67200 1.28300 -0.36200 1.000 C15 C -8.19600 2.10400 0.81800 1.000 C16 C -8.39300 1.19000 2.02900 1.000 C17 C -7.05600 0.55000 2.40800 1.000 C18 C -6.53200 -0.27200 1.22800 1.000 C19 C -3.50300 0.39900 -0.71500 1.000 C20 C -2.15900 -0.16100 -0.24100 1.000 C21 C 3.16800 0.88100 -0.45300 1.000 C22 C 4.27100 1.67100 -0.34600 1.000 Cl23 Cl 4.17400 3.35000 -0.77400 1.000 C24 C 5.48200 1.13900 0.10700 1.000 N25 N 6.72700 1.68100 0.31300 1.000 C26 C 7.58500 0.72000 0.77400 1.000 C27 C 6.94200 -0.45300 0.88200 1.000 C28 C 5.56000 -0.22200 0.45400 1.000 H29 H 4.29000 -3.76200 2.17500 1.000 H30 H 4.90400 -2.17600 2.70000 1.000 H31 H 3.18500 -2.37100 2.28000 1.000 H32 H 0.43000 0.08000 -0.05100 1.000 H33 H 0.88000 -0.32200 -1.72600 1.000 H34 H -0.03800 -2.60500 -1.42500 1.000 H35 H -0.48800 -2.20400 0.25000 1.000 H36 H -1.49400 -0.71500 -2.21700 1.000 H37 H -2.37600 -3.01800 -2.15300 1.000 H38 H -2.84300 -2.80700 -0.44800 1.000 H39 H -3.90400 -1.18300 -2.80500 1.000 H40 H -4.78900 -2.46100 -1.93700 1.000 H41 H -5.75400 0.45200 -2.04900 1.000 H42 H -6.48600 -1.01400 -1.35200 1.000 H43 H -5.61500 1.42300 0.26400 1.000 H44 H -7.53100 1.93400 -1.22400 1.000 H45 H -8.39100 0.50200 -0.60900 1.000 H46 H -7.47600 2.88500 1.06500 1.000 H47 H -9.14800 2.56100 0.54800 1.000 H48 H -8.76600 1.77600 2.86900 1.000 H49 H -9.11200 0.41000 1.78100 1.000 H50 H -6.33600 1.33100 2.65500 1.000 H51 H -7.19600 -0.10100 3.27000 1.000 H52 H -7.25100 -1.05200 0.98100 1.000 H53 H -5.57900 -0.72800 1.49800 1.000 H54 H -3.37300 0.88400 -1.68200 1.000 H55 H -3.86900 1.12600 0.01000 1.000 H56 H -2.28500 -0.63400 0.73200 1.000 H57 H -1.43500 0.65000 -0.16200 1.000 H58 H 2.23900 1.30500 -0.80500 1.000 H59 H 6.96300 2.60800 0.15400 1.000 H60 H 8.62600 0.88100 1.01500 1.000 H61 H 7.36300 -1.38900 1.21900 1.000