# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96Q' 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 9.48800 -2.83500 0.48000 1.000 O1 O -6.95100 0.46300 -2.45100 1.000 C2 C 0.66900 0.09500 -1.92500 1.000 C3 C -2.84000 1.00000 -1.99700 1.000 C4 C -0.95500 1.66200 -1.03300 1.000 C5 C -0.64100 0.56200 -1.84800 1.000 C6 C -1.91100 0.15600 -2.46500 1.000 C7 C -4.30200 0.96300 -2.36100 1.000 C8 C -10.37100 -3.62700 1.98700 1.000 C9 C -11.11800 -3.02300 0.97700 1.000 C10 C -10.49200 -2.20600 0.07500 1.000 C11 C -8.42200 -2.64400 1.24000 1.000 C12 C -9.10700 -2.00500 0.20200 1.000 C13 C -8.39000 -1.13700 -0.74200 1.000 C14 C -7.05900 -0.95200 -0.61100 1.000 C15 C -6.34500 -0.08800 -1.55100 1.000 N16 N -5.01700 0.09700 -1.42000 1.000 N17 N -9.06600 -3.41800 2.08800 1.000 O18 O -2.27900 1.88600 -1.15500 1.000 C19 C 1.66800 0.71800 -1.18700 1.000 C20 C 1.36000 1.80900 -0.37000 1.000 C21 C 0.05800 2.28000 -0.28900 1.000 C22 C -0.26000 3.43800 0.58100 1.000 C23 C 3.06400 0.22300 -1.26600 1.000 C24 C 3.37200 -0.86600 -2.08100 1.000 C25 C 4.66800 -1.32600 -2.15500 1.000 C26 C 5.67400 -0.70100 -1.41400 1.000 C27 C 5.36400 0.39100 -0.59800 1.000 C28 C 4.06900 0.85200 -0.53000 1.000 C29 C 7.06400 -1.19300 -1.49300 1.000 O30 O 7.53300 -1.52000 -2.56600 1.000 N31 N 7.81200 -1.28100 -0.37500 1.000 N32 N -11.00300 -4.45400 2.90100 1.000 C33 C 7.22200 -1.01200 0.94300 1.000 C34 C 7.49900 -2.20800 1.86000 1.000 C35 C 9.00400 -2.48500 1.88900 1.000 C36 C 9.23300 -1.64600 -0.45200 1.000 C37 C -0.99500 4.50900 0.07700 1.000 C38 C -1.28900 5.58500 0.88900 1.000 C39 C -0.85300 5.60200 2.20400 1.000 C40 C -0.12100 4.54000 2.71000 1.000 C41 C 0.17200 3.45700 1.90600 1.000 F42 F 9.26400 -3.55700 2.75000 1.000 F43 F 9.67900 -1.34700 2.34500 1.000 F44 F -1.14200 6.65800 2.99600 1.000 H45 H 10.55500 -3.05500 0.50500 1.000 H46 H 8.94500 -3.70700 0.11400 1.000 H47 H 0.90600 -0.75200 -2.55300 1.000 H48 H -2.06400 -0.65900 -3.15700 1.000 H49 H -4.71400 1.97000 -2.31300 1.000 H50 H -4.41400 0.57100 -3.37200 1.000 H51 H -12.18200 -3.19800 0.90700 1.000 H52 H -11.05000 -1.72700 -0.71600 1.000 H53 H -7.35800 -2.49500 1.35200 1.000 H54 H -8.92700 -0.64800 -1.54100 1.000 H55 H -6.52200 -1.44100 0.18800 1.000 H56 H -4.53400 -0.34200 -0.70200 1.000 H57 H 2.14100 2.28600 0.20500 1.000 H58 H 2.59400 -1.34900 -2.65300 1.000 H59 H 4.90600 -2.17000 -2.78500 1.000 H60 H 6.14100 0.87700 -0.02900 1.000 H61 H 3.82900 1.69500 0.10100 1.000 H62 H -11.95800 -4.60900 2.83600 1.000 H63 H -10.49000 -4.87900 3.60700 1.000 H64 H 7.67100 -0.11400 1.36800 1.000 H65 H 6.14700 -0.87000 0.84000 1.000 H66 H 7.15200 -1.98200 2.86800 1.000 H67 H 6.97500 -3.08500 1.48200 1.000 H68 H 9.84600 -0.80000 -0.14100 1.000 H69 H 9.48400 -1.92400 -1.47600 1.000 H70 H -1.33500 4.49700 -0.94800 1.000 H71 H -1.85900 6.41600 0.49900 1.000 H72 H 0.21600 4.55700 3.73500 1.000 H73 H 0.73800 2.62700 2.30200 1.000