# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'MQ7' 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 1.72600 -1.70100 -11.17300 1.000 O1 O 2.45600 -2.66100 -11.31900 1.000 C2 C 0.35300 -1.88500 -10.66800 1.000 C3 C -0.13700 -3.27000 -10.33500 1.000 C4 C -0.46500 -0.83700 -10.50100 1.000 C5 C -0.01800 0.53100 -10.82300 1.000 O6 O -0.77400 1.47000 -10.67200 1.000 C7 C 1.35300 0.75600 -11.32600 1.000 C8 C 1.80000 2.03600 -11.63200 1.000 C9 C 3.08900 2.22000 -12.10800 1.000 C10 C 3.93300 1.13900 -12.28000 1.000 C11 C 3.50200 -0.14300 -11.97900 1.000 C12 C 2.21200 -0.34300 -11.50100 1.000 C13 C -1.86200 -1.06000 -9.98400 1.000 C14 C -1.85900 -0.98000 -8.47900 1.000 C15 C -2.67000 -0.15400 -7.86500 1.000 C16 C -3.68100 0.63500 -8.65600 1.000 C17 C -2.59200 0.00500 -6.36900 1.000 C18 C -1.60600 1.12300 -6.02600 1.000 C19 C -1.52800 1.28300 -4.53000 1.000 C20 C -0.36800 1.22200 -3.92400 1.000 C21 C 0.89900 1.11700 -4.73200 1.000 C22 C -0.30100 1.25600 -2.41900 1.000 C23 C -0.37400 -0.17000 -1.87200 1.000 C24 C -0.30700 -0.13500 -0.36700 1.000 C25 C -1.25100 -0.70100 0.34300 1.000 C26 C -2.46500 -1.27700 -0.33900 1.000 C27 C -1.12300 -0.77500 1.84200 1.000 C28 C -1.75100 0.47000 2.47000 1.000 C29 C -1.62300 0.39600 3.97000 1.000 C30 C -1.04700 1.37100 4.62700 1.000 C31 C -0.61300 2.61700 3.89900 1.000 C32 C -0.81700 1.24700 6.11100 1.000 C33 C 0.55000 0.61100 6.36500 1.000 C34 C 0.77900 0.48700 7.84900 1.000 C35 C 1.07600 -0.67700 8.37100 1.000 C36 C 1.29900 -1.86900 7.47600 1.000 C37 C 1.19300 -0.82400 9.86600 1.000 C38 C -0.17000 -1.19600 10.45100 1.000 C39 C -0.05300 -1.34300 11.94600 1.000 C40 C -0.84200 -0.65800 12.73600 1.000 C41 C -1.94900 0.18000 12.15100 1.000 C42 C -0.64300 -0.70900 14.22900 1.000 C43 C 0.32100 0.39900 14.65300 1.000 C44 C 0.52000 0.34800 16.14600 1.000 C45 C 1.72900 0.26400 16.64300 1.000 C46 C 1.92300 0.08700 18.12700 1.000 C47 C 2.92600 0.34400 15.73100 1.000 H48 H 0.65500 -3.99300 -10.53000 1.000 H49 H -0.41600 -3.31300 -9.28200 1.000 H50 H -1.00400 -3.50700 -10.95100 1.000 H51 H 1.14500 2.88400 -11.49900 1.000 H52 H 3.43600 3.21400 -12.34500 1.000 H53 H 4.93500 1.29500 -12.65100 1.000 H54 H 4.16600 -0.98300 -12.11500 1.000 H55 H -2.21200 -2.04500 -10.29500 1.000 H56 H -2.52600 -0.29500 -10.38700 1.000 H57 H -1.18900 -1.60400 -7.90600 1.000 H58 H -4.32100 1.19300 -7.97300 1.000 H59 H -3.16200 1.32900 -9.31700 1.000 H60 H -4.29000 -0.04500 -9.25000 1.000 H61 H -2.25300 -0.92800 -5.92100 1.000 H62 H -3.57800 0.25800 -5.97900 1.000 H63 H -1.94500 2.05700 -6.47400 1.000 H64 H -0.62000 0.87000 -6.41600 1.000 H65 H -2.42800 1.44800 -3.95700 1.000 H66 H 0.94300 1.93900 -5.44700 1.000 H67 H 1.76000 1.16800 -4.06600 1.000 H68 H 0.91000 0.16800 -5.26800 1.000 H69 H -1.13800 1.83700 -2.03100 1.000 H70 H 0.63500 1.71800 -2.10700 1.000 H71 H 0.46200 -0.75000 -2.26000 1.000 H72 H -1.31100 -0.63100 -2.18400 1.000 H73 H 0.51800 0.35500 0.12500 1.000 H74 H -2.16500 -2.11500 -0.96800 1.000 H75 H -3.17500 -1.62300 0.41200 1.000 H76 H -2.93400 -0.51000 -0.95500 1.000 H77 H -0.06900 -0.82700 2.11500 1.000 H78 H -1.63800 -1.66400 2.20700 1.000 H79 H -2.80500 0.52200 2.19700 1.000 H80 H -1.23700 1.35900 2.10500 1.000 H81 H -2.00700 -0.46100 4.50300 1.000 H82 H -1.48900 3.12700 3.49700 1.000 H83 H -0.09300 3.28000 4.59100 1.000 H84 H 0.05600 2.34700 3.08300 1.000 H85 H -1.59600 0.62200 6.54800 1.000 H86 H -0.84800 2.23700 6.56800 1.000 H87 H 1.32800 1.23600 5.92800 1.000 H88 H 0.58000 -0.37800 5.90800 1.000 H89 H 0.69900 1.35800 8.48200 1.000 H90 H 2.17100 -1.69200 6.84700 1.000 H91 H 1.46600 -2.75500 8.08800 1.000 H92 H 0.42200 -2.02000 6.84800 1.000 H93 H 1.52900 0.11700 10.29900 1.000 H94 H 1.91400 -1.60800 10.09800 1.000 H95 H -0.50600 -2.13800 10.01800 1.000 H96 H -0.89100 -0.41200 10.21800 1.000 H97 H 0.68100 -2.01400 12.36600 1.000 H98 H -2.57800 -0.44000 11.51400 1.000 H99 H -2.55000 0.60100 12.95700 1.000 H100 H -1.51800 0.98800 11.56000 1.000 H101 H -0.22700 -1.67800 14.50700 1.000 H102 H -1.60100 -0.56800 14.72800 1.000 H103 H -0.09400 1.36800 14.37500 1.000 H104 H 1.27900 0.25800 14.15300 1.000 H105 H -0.33300 0.38100 16.80600 1.000 H106 H 2.98900 0.03800 18.35100 1.000 H107 H 1.48000 0.93100 18.65400 1.000 H108 H 1.44100 -0.83500 18.44900 1.000 H109 H 2.87400 1.26000 15.14300 1.000 H110 H 3.83800 0.34600 16.32800 1.000 H111 H 2.93100 -0.51600 15.06200 1.000