# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JGQ' 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 -2.84200 1.02000 0.79400 1.000 C1 C -3.80400 1.98200 0.44200 1.000 C2 C -3.41600 3.10800 -0.27900 1.000 C3 C -4.43900 4.14700 -0.66100 1.000 C4 C -0.47200 0.16800 0.79500 1.000 C5 C -1.62100 -1.61800 -0.36800 1.000 C6 C -1.54200 -2.55700 -1.57400 1.000 C7 C -0.34400 -3.49600 -1.40600 1.000 C8 C 0.93100 -2.66200 -1.25500 1.000 C9 C 0.78000 -1.72000 -0.05800 1.000 C10 C 2.02600 -0.88300 0.08200 1.000 C11 C 2.98400 -1.22700 1.01900 1.000 C12 C 4.12700 -0.46600 1.15300 1.000 C13 C 4.31400 0.65500 0.34000 1.000 C14 C 3.34300 0.99600 -0.60300 1.000 C15 C 2.20800 0.22200 -0.73000 1.000 C16 C 5.53500 1.47500 0.47800 1.000 C17 C -1.21200 -5.53200 -0.48600 1.000 C18 C -1.35300 -6.30800 0.82500 1.000 C19 C -2.09900 3.27200 -0.64200 1.000 C20 C -1.14300 2.32000 -0.29500 1.000 C21 C -1.50800 1.19700 0.42000 1.000 C22 C -3.55900 -0.01800 1.53800 1.000 C23 C -4.84700 0.35700 1.59200 1.000 N24 N -5.01500 1.54700 0.93800 1.000 O25 O 0.15400 2.49800 -0.66200 1.000 N26 N -0.37800 -0.84200 -0.26800 1.000 O27 O 5.71300 2.55500 -0.30700 1.000 O28 O 6.37800 1.17600 1.30000 1.000 O29 O -0.52900 -4.30100 -0.24000 1.000 C30 C 0.46300 3.68200 -1.40000 1.000 H31 H -4.50500 4.89800 0.12600 1.000 H32 H -4.14000 4.62300 -1.59500 1.000 H33 H -5.41000 3.67000 -0.79100 1.000 H34 H 0.49500 0.65500 0.92000 1.000 H35 H -0.76100 -0.31400 1.72900 1.000 H36 H -2.46400 -0.93800 -0.49200 1.000 H37 H -1.75700 -2.20400 0.54000 1.000 H38 H -2.45800 -3.14300 -1.63900 1.000 H39 H -1.42000 -1.97000 -2.48500 1.000 H40 H -0.25800 -4.13700 -2.28300 1.000 H41 H 1.78200 -3.32400 -1.09200 1.000 H42 H 1.09300 -2.07700 -2.16000 1.000 H43 H 0.63200 -2.30600 0.84900 1.000 H44 H 2.83800 -2.09400 1.64600 1.000 H45 H 4.87400 -0.73500 1.88400 1.000 H46 H 3.48100 1.86100 -1.23400 1.000 H47 H 1.45500 0.48500 -1.45900 1.000 H48 H -0.64200 -6.12700 -1.20000 1.000 H49 H -2.20100 -5.32400 -0.89300 1.000 H50 H -0.36300 -6.51600 1.23300 1.000 H51 H -1.92200 -5.71400 1.54000 1.000 H52 H -1.87300 -7.24700 0.63800 1.000 H53 H -1.80300 4.14700 -1.20200 1.000 H54 H -3.13300 -0.91400 1.96400 1.000 H55 H -5.63600 -0.20100 2.07600 1.000 H56 H -5.85800 2.01700 0.84300 1.000 H57 H 6.52700 3.06100 -0.18000 1.000 H58 H 1.52900 3.70000 -1.62800 1.000 H59 H -0.10700 3.69000 -2.32800 1.000 H60 H 0.20400 4.55800 -0.80600 1.000