# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JRQ' 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 3.11900 -0.59500 -0.20600 1.000 C1 C 6.25800 -2.22500 0.82500 1.000 C2 C 1.50500 1.90100 -0.39400 1.000 C3 C -0.34200 2.64100 1.05000 1.000 C4 C -3.19800 -0.78500 1.09600 1.000 C5 C -4.57900 -0.73200 1.12200 1.000 C6 C -6.79600 -0.63500 -0.03500 1.000 C7 C -5.29100 -0.69200 -0.06200 1.000 C8 C -4.62200 -0.70400 -1.27200 1.000 C9 C -3.24000 -0.75800 -1.29800 1.000 C10 C -2.52800 -0.79200 -0.11300 1.000 C11 C -1.02300 -0.84900 -0.14100 1.000 N12 N -0.48000 0.51600 -0.14200 1.000 C13 C 0.93100 0.52100 -0.54900 1.000 C14 C 1.71600 -0.45600 0.32800 1.000 O15 O 4.03300 -1.29700 0.48200 1.000 C16 C 5.36200 -1.39300 -0.09500 1.000 O17 O 3.42000 -0.07700 -1.25600 1.000 N18 N 0.92200 2.84800 0.34900 1.000 C19 C -0.62900 1.14400 1.18100 1.000 O20 O 2.54200 2.16700 -0.96300 1.000 H21 H 5.83700 -3.22400 0.93600 1.000 H22 H 7.25500 -2.29700 0.39100 1.000 H23 H 6.32000 -1.74700 1.80200 1.000 H24 H -0.28300 3.08600 2.04300 1.000 H25 H -1.14700 3.11500 0.48800 1.000 H26 H -2.64100 -0.81600 2.02200 1.000 H27 H -5.10100 -0.72200 2.06700 1.000 H28 H -7.12000 0.40600 -0.01700 1.000 H29 H -7.19500 -1.12400 -0.92400 1.000 H30 H -7.16300 -1.14500 0.85600 1.000 H31 H -5.17800 -0.67200 -2.19700 1.000 H32 H -2.71800 -0.76700 -2.24300 1.000 H33 H -0.66300 -1.38200 0.73900 1.000 H34 H -0.69500 -1.37100 -1.04000 1.000 H35 H 1.00700 0.21300 -1.59200 1.000 H36 H 1.22600 -1.42900 0.31600 1.000 H37 H 1.75200 -0.07900 1.35000 1.000 H38 H 5.78300 -0.39400 -0.20600 1.000 H39 H 5.29900 -1.87200 -1.07200 1.000 H40 H 1.35900 3.71100 0.42700 1.000 H41 H 0.07700 0.69600 1.88000 1.000 H42 H -1.64700 0.99700 1.54300 1.000