# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CB7' 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 -0.76900 -1.81300 0.24900 1.000 C1 C -0.96800 -3.10800 -0.27800 1.000 C2 C -0.04900 -3.94800 -1.02800 1.000 C3 C -0.53500 -5.12000 -1.38600 1.000 S4 S -2.18800 -5.32100 -0.83900 1.000 C5 C -2.20500 -3.73000 -0.08900 1.000 C6 C -3.21600 -3.06600 0.61300 1.000 C7 C -2.99400 -1.80500 1.11600 1.000 C8 C -1.76700 -1.18500 0.92900 1.000 C9 C -1.53600 0.19700 1.48400 1.000 C10 C -1.81600 1.22200 0.41500 1.000 C11 C -3.23300 1.68300 0.23500 1.000 C12 C -3.86100 1.90900 1.58600 1.000 O13 O -3.16800 2.19700 2.53300 1.000 O14 O -5.18900 1.78900 1.73800 1.000 O15 O -3.97100 0.68300 -0.46900 1.000 C16 C -3.26400 2.98900 -0.56300 1.000 C17 C -2.40100 2.81100 -1.81800 1.000 O18 O -2.54700 3.95100 -2.66700 1.000 C19 C -0.93900 2.67700 -1.38600 1.000 O20 O -0.14900 2.27500 -2.50600 1.000 C21 C -0.81400 1.65600 -0.29300 1.000 O22 O 0.41800 1.15300 -0.02900 1.000 C23 C 1.39100 2.05900 0.49300 1.000 C24 C 2.72000 1.35700 0.60900 1.000 C25 C 3.63000 1.46700 -0.39800 1.000 C26 C 4.87900 0.81600 -0.30600 1.000 C27 C 5.98200 0.80000 -1.25400 1.000 C28 C 7.02800 0.09200 -0.87600 1.000 S29 S 6.77200 -0.63900 0.69700 1.000 C30 C 5.16400 0.06000 0.83500 1.000 C31 C 4.21400 -0.03800 1.85600 1.000 C32 C 3.00700 0.61100 1.74300 1.000 H33 H 0.18200 -1.32000 0.11500 1.000 H34 H 0.95600 -3.63700 -1.27300 1.000 H35 H 0.01500 -5.86200 -1.94700 1.000 H36 H -4.17200 -3.54400 0.76100 1.000 H37 H -3.77800 -1.29600 1.65700 1.000 H38 H -2.20200 0.36400 2.33100 1.000 H39 H -0.50100 0.28900 1.81300 1.000 H40 H -4.89800 0.91300 -0.62300 1.000 H41 H -4.29000 3.21600 -0.85300 1.000 H42 H -2.86400 3.80000 0.04500 1.000 H43 H -5.54500 1.94300 2.62300 1.000 H44 H -2.71200 1.91400 -2.35300 1.000 H45 H -2.02700 3.90500 -3.48100 1.000 H46 H -0.58100 3.63800 -1.01800 1.000 H47 H 0.79200 2.16900 -2.30700 1.000 H48 H 1.48900 2.91300 -0.17700 1.000 H49 H 1.07600 2.40400 1.47800 1.000 H50 H 3.39500 2.05500 -1.27300 1.000 H51 H 2.27900 0.53500 2.53600 1.000 H52 H 5.94700 1.32800 -2.19500 1.000 H53 H 7.92800 -0.02400 -1.46200 1.000 H54 H 4.43100 -0.62200 2.73900 1.000