# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQ5' 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 3.47600 0.68900 -0.95100 1.000 C1 C 3.72300 2.60500 0.40000 1.000 O2 O 1.90400 3.97100 0.54800 1.000 O3 O -3.35600 -2.01500 0.80400 1.000 C4 C -3.64500 -0.84800 0.64300 1.000 C5 C -5.06200 -0.46200 0.30700 1.000 C6 C -5.92900 -1.72100 0.22800 1.000 C7 C -6.00400 -2.37500 1.60900 1.000 C8 C -7.31600 -1.34800 -0.22700 1.000 C9 C -8.07300 -0.46200 0.51600 1.000 C10 C -9.34500 -0.12000 0.09800 1.000 C11 C -9.86100 -0.66300 -1.06300 1.000 C12 C -9.10400 -1.54800 -1.80700 1.000 C13 C -7.82900 -1.88700 -1.39200 1.000 N14 N -2.69800 0.10300 0.76500 1.000 C15 C -3.03400 1.52100 0.58000 1.000 C16 C -2.08800 2.11900 -0.46700 1.000 C17 C -1.31200 -0.25800 1.09200 1.000 C18 C -0.38100 0.35600 0.04200 1.000 C19 C -0.63900 1.86600 -0.04300 1.000 O20 O -0.40900 2.45400 1.23900 1.000 C21 C 0.30900 2.49200 -1.06800 1.000 N22 N 1.69200 2.14900 -0.72700 1.000 C23 C 2.40200 2.95500 0.08900 1.000 C24 C 2.24800 1.02900 -1.23000 1.000 C25 C 4.24300 1.44300 -0.14600 1.000 N26 N 5.53900 1.06200 0.13500 1.000 C27 C 6.08300 -0.16800 -0.44500 1.000 C28 C 7.52800 -0.35600 0.02200 1.000 N29 N 8.07400 -1.59000 -0.56000 1.000 C30 C 9.52700 -1.68500 -0.33000 1.000 C31 C 9.78700 -3.01300 0.41100 1.000 C32 C 8.53800 -3.86200 0.05600 1.000 C33 C 7.42600 -2.78300 0.02500 1.000 H34 H 4.32200 3.22600 1.04900 1.000 H35 H -5.45200 0.19900 1.08100 1.000 H36 H -5.08100 0.05200 -0.65400 1.000 H37 H -5.48900 -2.42100 -0.48200 1.000 H38 H -6.62100 -3.27200 1.55300 1.000 H39 H -5.00100 -2.64500 1.93900 1.000 H40 H -6.44400 -1.67500 2.31900 1.000 H41 H -7.67000 -0.03700 1.42400 1.000 H42 H -9.93700 0.57200 0.68000 1.000 H43 H -10.85500 -0.39600 -1.38900 1.000 H44 H -9.50600 -1.97400 -2.71500 1.000 H45 H -7.23600 -2.57600 -1.97500 1.000 H46 H -4.06400 1.61100 0.23500 1.000 H47 H -2.91500 2.05200 1.52500 1.000 H48 H -2.27100 1.65000 -1.43300 1.000 H49 H -2.26200 3.19200 -0.54400 1.000 H50 H -1.05600 0.13100 2.07800 1.000 H51 H -1.20600 -1.34300 1.08600 1.000 H52 H 0.65600 0.17700 0.32500 1.000 H53 H -0.57700 -0.10100 -0.92900 1.000 H54 H 0.49100 2.33300 1.57200 1.000 H55 H 0.07300 2.11000 -2.06100 1.000 H56 H 0.19000 3.57600 -1.05800 1.000 H57 H 1.66300 0.39700 -1.88100 1.000 H58 H 6.09000 1.60900 0.71600 1.000 H59 H 5.48300 -1.01900 -0.12300 1.000 H60 H 6.05900 -0.09800 -1.53300 1.000 H61 H 8.12800 0.49400 -0.30100 1.000 H62 H 7.55200 -0.42600 1.10900 1.000 H63 H 10.05400 -1.68300 -1.28400 1.000 H64 H 9.86100 -0.84500 0.28000 1.000 H65 H 10.69500 -3.49000 0.04100 1.000 H66 H 9.85100 -2.84800 1.48700 1.000 H67 H 8.65100 -4.33400 -0.91900 1.000 H68 H 8.33900 -4.60600 0.82800 1.000 H69 H 7.07600 -2.56900 1.03400 1.000 H70 H 6.59700 -3.11100 -0.60300 1.000