# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CRQ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 0.85200 -2.24000 -0.36300 1.000 C1 C 1.32500 -1.09600 0.01500 1.000 C2 C 2.79900 -0.94500 0.29200 1.000 C3 C 3.52100 -2.24500 -0.06500 1.000 C4 C 0.42400 0.05700 0.17600 1.000 N5 N -0.87700 0.00300 0.06200 1.000 N6 N 0.83700 1.33800 0.47100 1.000 C7 C -0.25900 2.12500 0.54100 1.000 O8 O -0.29700 3.31800 0.78100 1.000 C9 C -1.40000 1.23200 0.26800 1.000 C10 C 2.22200 1.77000 0.67500 1.000 C11 C -2.73800 1.58200 0.23200 1.000 C12 C -3.76100 0.54700 0.09000 1.000 C13 C -3.40100 -0.80900 0.12400 1.000 C14 C -5.10800 0.90500 -0.07700 1.000 C15 C -4.36100 -1.77100 -0.01000 1.000 C16 C -6.05800 -0.06700 -0.21000 1.000 C17 C -5.69400 -1.41000 -0.18000 1.000 O18 O -6.64200 -2.37000 -0.31300 1.000 O19 O 5.42500 -1.04800 0.65100 1.000 C20 C 2.85500 2.07400 -0.65800 1.000 O21 O 2.21500 1.94300 -1.67500 1.000 C22 C 4.99500 -2.09400 0.21100 1.000 N23 N 5.83500 -3.12000 -0.03000 1.000 O24 O 4.13000 2.49100 -0.71700 1.000 H25 H -0.10500 -2.35700 -0.47100 1.000 H26 H 3.20000 -0.12900 -0.31000 1.000 H27 H 2.94900 -0.72400 1.34900 1.000 H28 H 3.12100 -3.06000 0.53700 1.000 H29 H 3.37100 -2.46600 -1.12200 1.000 H30 H 2.23600 2.66600 1.29600 1.000 H31 H 2.78200 0.97600 1.17000 1.000 H32 H -3.02700 2.62000 0.31000 1.000 H33 H -2.36700 -1.09200 0.25600 1.000 H34 H -5.39200 1.94600 -0.10000 1.000 H35 H -4.08500 -2.81500 0.01600 1.000 H36 H -7.09500 0.20700 -0.33800 1.000 H37 H -7.03200 -2.65700 0.52400 1.000 H38 H 5.49100 -3.95600 -0.38100 1.000 H39 H 6.78300 -3.02200 0.14800 1.000 H40 H 4.49200 2.67400 -1.59400 1.000