# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CMQ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 2.11100 0.20000 1.82400 1.000 C1 C 2.30700 0.29400 0.62800 1.000 O2 O 3.52400 0.02300 0.12200 1.000 C3 C 4.60400 -0.38200 1.00400 1.000 C4 C 5.85100 -0.62300 0.19400 1.000 C5 C 6.73700 0.41300 -0.03700 1.000 C6 C 7.88200 0.19200 -0.78000 1.000 C7 C 8.14000 -1.06600 -1.29300 1.000 C8 C 7.25500 -2.10200 -1.06200 1.000 C9 C 6.11300 -1.88100 -0.31500 1.000 N10 N 1.30400 0.66900 -0.19100 1.000 C11 C 0.01200 1.07200 0.37000 1.000 C12 C 0.07200 2.54500 0.78200 1.000 C13 C -1.22600 2.92800 1.49500 1.000 C14 C -1.33100 2.15800 2.81300 1.000 C15 C -1.22700 4.43100 1.78100 1.000 C16 C -1.06600 0.88400 -0.66600 1.000 O17 O -0.77000 0.79200 -1.83900 1.000 N18 N -2.35800 0.81700 -0.28900 1.000 C19 C -3.40800 0.65500 -1.29900 1.000 C20 C -3.79400 2.02600 -1.85800 1.000 O21 O -4.27600 2.85400 -0.79800 1.000 C22 C -2.56700 2.67900 -2.49800 1.000 C23 C -4.63400 0.00100 -0.65800 1.000 C24 C -4.28600 -1.39700 -0.21700 1.000 C25 C -4.46600 -2.45900 -1.08400 1.000 C26 C -4.14200 -3.74100 -0.68400 1.000 C27 C -3.64600 -3.96400 0.59200 1.000 O28 O -3.33100 -5.22500 0.99000 1.000 C29 C -3.47100 -2.89700 1.46200 1.000 C30 C -3.79200 -1.61600 1.05500 1.000 H31 H 4.79200 0.40600 1.73400 1.000 H32 H 4.32500 -1.29800 1.52300 1.000 H33 H 6.53500 1.39500 0.36400 1.000 H34 H 8.57300 1.00100 -0.96000 1.000 H35 H 9.03400 -1.23800 -1.87400 1.000 H36 H 7.45600 -3.08400 -1.46300 1.000 H37 H 5.42100 -2.69100 -0.13400 1.000 H38 H 1.43800 0.67200 -1.15100 1.000 H39 H -0.21200 0.46000 1.24300 1.000 H40 H 0.19600 3.16500 -0.10600 1.000 H41 H 0.91500 2.70000 1.45400 1.000 H42 H -2.07700 2.67800 0.86000 1.000 H43 H -2.20000 2.50700 3.37000 1.000 H44 H -1.43600 1.09300 2.60400 1.000 H45 H -0.43000 2.32500 3.40400 1.000 H46 H -0.37600 4.68000 2.41500 1.000 H47 H -1.15300 4.97900 0.84200 1.000 H48 H -2.15200 4.70400 2.28900 1.000 H49 H -2.59300 0.87600 0.65000 1.000 H50 H -3.04000 0.02300 -2.10700 1.000 H51 H -4.57500 1.90500 -2.60900 1.000 H52 H -3.55600 2.93500 -0.15700 1.000 H53 H -2.20000 2.04700 -3.30700 1.000 H54 H -2.84200 3.65600 -2.89600 1.000 H55 H -1.78600 2.80000 -1.74700 1.000 H56 H -4.94900 0.58700 0.20500 1.000 H57 H -5.44600 -0.03900 -1.38500 1.000 H58 H -4.85300 -2.28500 -2.07700 1.000 H59 H -4.27800 -4.57000 -1.36300 1.000 H60 H -4.12900 -5.60000 1.38700 1.000 H61 H -3.08400 -3.06800 2.45600 1.000 H62 H -3.65600 -0.78500 1.73200 1.000