# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '082' 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 -2.44500 -4.15000 1.98800 1.000 C1 C -1.20300 -4.75800 1.92100 1.000 C2 C 3.87900 -1.84000 1.57200 1.000 C3 C -2.55500 1.19700 0.76600 1.000 C4 C 4.27300 -0.58500 1.14700 1.000 C5 C 2.99600 -2.58200 0.80900 1.000 C6 C -2.74800 -3.09300 1.15200 1.000 C7 C -0.25500 -4.30800 1.02200 1.000 C8 C -3.08300 2.37900 1.19900 1.000 C9 C 2.90500 -0.81500 -0.80400 1.000 C10 C -4.84300 2.23300 -0.44000 1.000 C11 C -3.16500 0.50700 -0.28400 1.000 C12 C 3.78700 -0.07300 -0.04100 1.000 C13 C 2.51000 -2.06900 -0.37900 1.000 C14 C -1.80400 -2.63500 0.24700 1.000 C15 C -0.54900 -3.24400 0.18400 1.000 C16 C -4.31800 1.03000 -0.89200 1.000 C17 C -4.22600 2.90300 0.60100 1.000 C18 C -2.86700 -0.75400 -0.97700 1.000 C19 C 4.52400 2.18700 0.68300 1.000 C20 C 2.85000 3.08500 -0.46200 1.000 C21 C -0.60600 -1.60700 -1.31700 1.000 C22 C 4.21700 1.29600 -0.50400 1.000 C23 C 5.43200 1.19200 -1.42700 1.000 C24 C -4.05500 4.72200 2.12100 1.000 C25 C 1.54800 -2.87800 -1.21100 1.000 N26 N -3.77900 -0.91800 -1.89300 1.000 N27 N 3.65000 3.21000 0.60400 1.000 N28 N -1.80500 -1.61600 -0.70400 1.000 N29 N 0.17400 -2.57600 -0.80200 1.000 O30 O 5.37500 2.01300 1.52900 1.000 O31 O 1.98100 3.88300 -0.75100 1.000 O32 O -0.27700 -0.83900 -2.20100 1.000 O33 O -4.68400 0.16700 -1.86200 1.000 O34 O 3.11600 1.97900 -1.17500 1.000 O35 O -4.73900 4.08100 1.04300 1.000 H36 H -3.18100 -4.50700 2.69300 1.000 H37 H -0.97400 -5.58700 2.57400 1.000 H38 H 4.26200 -2.24200 2.49800 1.000 H39 H -1.66600 0.79800 1.23100 1.000 H40 H 4.96200 -0.00500 1.74300 1.000 H41 H 2.68700 -3.56200 1.14100 1.000 H42 H -3.72000 -2.62400 1.20400 1.000 H43 H 0.71300 -4.78500 0.97300 1.000 H44 H -2.61000 2.91100 2.01200 1.000 H45 H 2.52500 -0.41400 -1.73300 1.000 H46 H -5.72900 2.64500 -0.90100 1.000 H47 H 5.17700 0.58800 -2.29800 1.000 H48 H 5.72900 2.18900 -1.75100 1.000 H49 H 6.25800 0.72400 -0.89000 1.000 H50 H -4.56800 5.65000 2.37600 1.000 H51 H -4.04600 4.06300 2.98900 1.000 H52 H -3.03100 4.94400 1.82200 1.000 H53 H 1.67700 -2.62700 -2.26400 1.000 H54 H 1.74500 -3.94000 -1.06400 1.000 H55 H 3.60800 3.94300 1.23700 1.000