# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FIT' 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 5.26500 -0.20400 -0.40900 1.000 C1 C 4.83200 1.94200 0.67000 1.000 N2 N -4.21700 0.67800 0.54700 1.000 C3 C 3.98800 -0.66500 0.13100 1.000 C4 C 3.45400 -1.85600 -0.66200 1.000 C5 C 2.14000 -2.32800 -0.03100 1.000 O6 O 6.71200 1.47500 -0.63700 1.000 O7 O -4.01100 -0.94100 -0.95500 1.000 C8 C 3.53000 1.67400 0.79300 1.000 C9 C 5.66800 1.06300 -0.16800 1.000 C10 C 1.11900 -1.19100 -0.05000 1.000 C11 C 1.67000 0.01000 0.73700 1.000 C12 C 2.96800 0.47400 0.08000 1.000 C13 C 0.66400 1.15500 0.78300 1.000 C14 C -0.68800 0.68900 1.34900 1.000 C15 C -1.17500 -0.45000 0.47500 1.000 C16 C -0.16600 -1.62100 0.63100 1.000 C17 C -0.92400 -2.77400 -0.03500 1.000 C18 C -2.37600 -2.57900 0.48000 1.000 C19 C -2.50800 -1.08300 0.86000 1.000 C20 C -1.22100 0.00100 -0.98600 1.000 C21 C 2.68600 0.83700 -1.37900 1.000 C22 C -3.63200 -0.44500 0.08500 1.000 C23 C -5.30900 1.29900 -0.20600 1.000 C24 C -6.46700 0.30700 -0.33700 1.000 C25 C -5.79100 2.55000 0.53200 1.000 C26 C -4.81100 1.68800 -1.59900 1.000 H27 H 5.82000 -0.80300 -0.93300 1.000 H28 H 5.26700 2.79200 1.17700 1.000 H29 H -3.91400 1.07600 1.37900 1.000 H30 H 4.12400 -0.96000 1.17100 1.000 H31 H 3.27600 -1.55600 -1.69500 1.000 H32 H 4.18200 -2.66700 -0.63700 1.000 H33 H 1.75000 -3.17400 -0.59600 1.000 H34 H 2.32300 -2.63400 0.99900 1.000 H35 H 2.89200 2.30600 1.39400 1.000 H36 H 0.91900 -0.89500 -1.07900 1.000 H37 H 1.88300 -0.30300 1.75900 1.000 H38 H 1.05900 1.95200 1.41300 1.000 H39 H 0.51500 1.54000 -0.22600 1.000 H40 H -0.56200 0.34200 2.37400 1.000 H41 H -1.40500 1.51000 1.32000 1.000 H42 H 0.01500 -1.83000 1.68600 1.000 H43 H -0.88500 -2.68500 -1.12100 1.000 H44 H -0.52600 -3.73500 0.28900 1.000 H45 H -3.08900 -2.83000 -0.30600 1.000 H46 H -2.55000 -3.20400 1.35600 1.000 H47 H -2.68100 -0.97900 1.93100 1.000 H48 H -0.23300 0.34900 -1.29000 1.000 H49 H -1.52100 -0.83600 -1.61600 1.000 H50 H -1.94000 0.81300 -1.09300 1.000 H51 H 2.28600 -0.03300 -1.90000 1.000 H52 H 1.95900 1.64900 -1.41800 1.000 H53 H 3.61100 1.15500 -1.86000 1.000 H54 H -6.82100 0.02900 0.65600 1.000 H55 H -7.28000 0.76800 -0.89700 1.000 H56 H -6.12300 -0.58500 -0.86200 1.000 H57 H -4.96600 3.25700 0.62500 1.000 H58 H -6.60400 3.01200 -0.02900 1.000 H59 H -6.14600 2.27300 1.52400 1.000 H60 H -4.46800 0.79700 -2.12500 1.000 H61 H -5.62400 2.15000 -2.16000 1.000 H62 H -3.98700 2.39500 -1.50600 1.000