# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0E6' 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 3.24300 0.35000 -0.82100 1.000 O1 O 3.12300 -0.57300 -1.60200 1.000 O2 O 4.46900 0.79000 -0.48100 1.000 C3 C 5.60300 0.11500 -1.08600 1.000 C4 C 6.88200 0.73900 -0.59100 1.000 C5 C 7.49400 0.25000 0.54800 1.000 C6 C 8.66700 0.82300 1.00200 1.000 C7 C 9.22900 1.88400 0.31700 1.000 C8 C 8.61800 2.37200 -0.82300 1.000 C9 C 7.44700 1.79600 -1.28000 1.000 N10 N 2.14700 0.93800 -0.29900 1.000 C11 C 0.81300 0.46300 -0.67400 1.000 C12 C -0.18500 1.57700 -0.49400 1.000 O13 O 0.18200 2.66200 -0.09300 1.000 C14 C 0.42400 -0.71900 0.21700 1.000 C15 C 1.36300 -1.89500 -0.05700 1.000 C16 C 0.97400 -3.07700 0.83300 1.000 N17 N 1.87400 -4.20300 0.57100 1.000 C18 C 1.71700 -5.37700 1.25500 1.000 N19 N 0.74600 -5.49700 2.15900 1.000 N20 N 2.53500 -6.40100 1.01700 1.000 C21 C -2.92500 2.48200 0.82700 1.000 O22 O -2.71400 1.53800 1.55000 1.000 C23 C -2.45700 2.45300 -0.60500 1.000 N24 N -1.48600 1.36900 -0.78000 1.000 C25 C -3.65400 2.21800 -1.52800 1.000 O26 O -4.33900 1.03000 -1.12800 1.000 C27 C -5.47900 0.71800 -1.93000 1.000 C28 C -6.12000 -0.54800 -1.42100 1.000 C29 C -7.10600 -0.48300 -0.45500 1.000 C30 C -7.69400 -1.64300 0.01200 1.000 C31 C -7.29700 -2.86900 -0.48800 1.000 C32 C -6.31100 -2.93400 -1.45600 1.000 C33 C -5.72700 -1.77300 -1.92600 1.000 C34 C -3.65500 3.68900 1.35600 1.000 Cl35 Cl -4.08000 3.42300 3.08800 1.000 H36 H 5.58400 -0.94100 -0.81400 1.000 H37 H 5.54700 0.21200 -2.17000 1.000 H38 H 7.05500 -0.57800 1.08400 1.000 H39 H 9.14500 0.44200 1.89200 1.000 H40 H 10.14600 2.33200 0.67200 1.000 H41 H 9.05600 3.20100 -1.35900 1.000 H42 H 6.97100 2.17500 -2.17200 1.000 H43 H 2.24300 1.67500 0.32400 1.000 H44 H 0.82000 0.14600 -1.71700 1.000 H45 H 0.50300 -0.42600 1.26400 1.000 H46 H -0.60200 -1.01500 -0.00100 1.000 H47 H 1.28400 -2.18700 -1.10400 1.000 H48 H 2.38900 -1.59800 0.16100 1.000 H49 H 1.05300 -2.78400 1.88000 1.000 H50 H -0.05200 -3.37300 0.61600 1.000 H51 H 2.58100 -4.11600 -0.08700 1.000 H52 H 0.15000 -4.75100 2.33300 1.000 H53 H 0.63500 -6.32900 2.64400 1.000 H54 H 2.42300 -7.23400 1.50200 1.000 H55 H 3.24200 -6.31400 0.35900 1.000 H56 H -1.98700 3.40500 -0.85400 1.000 H57 H -1.78000 0.50200 -1.10100 1.000 H58 H -4.33400 3.06800 -1.46500 1.000 H59 H -3.30500 2.10900 -2.55500 1.000 H60 H -6.19700 1.53600 -1.87500 1.000 H61 H -5.16800 0.57700 -2.96500 1.000 H62 H -7.41700 0.47500 -0.06400 1.000 H63 H -8.46400 -1.59300 0.76800 1.000 H64 H -7.75500 -3.77600 -0.12300 1.000 H65 H -6.00100 -3.89200 -1.84700 1.000 H66 H -4.95900 -1.82300 -2.68400 1.000 H67 H -3.01600 4.56800 1.27000 1.000 H68 H -4.56600 3.84500 0.77800 1.000