# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C1I' 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 6.79500 -1.59800 1.05700 1.000 N1 N 6.57300 -1.46200 -0.38800 1.000 C2 C 6.45000 -2.77800 -1.02900 1.000 C3 C 5.39300 -0.63000 -0.66300 1.000 C4 C 4.21000 -1.13700 0.15500 1.000 C5 C 2.96400 -0.31100 -0.08000 1.000 C6 C 2.16900 -0.85900 -1.28700 1.000 C7 C 0.69000 -0.65800 -0.87000 1.000 C8 C 0.80200 -0.01700 0.52200 1.000 O9 O 2.06300 -0.47200 1.04600 1.000 C10 C 0.90700 1.48900 0.36700 1.000 C11 C 2.21800 2.02400 -0.05700 1.000 C12 C 3.21500 1.15300 -0.28200 1.000 C13 C 4.53300 1.69600 -0.75900 1.000 O14 O 4.70400 3.02400 -0.25900 1.000 C15 C 5.68400 0.82100 -0.26700 1.000 O16 O 6.90500 1.24800 -0.87400 1.000 C17 C -0.11200 2.29100 0.59500 1.000 C18 C -1.49100 1.83800 0.98900 1.000 C19 C -1.61700 0.34400 0.81800 1.000 C20 C -1.72300 0.00600 -0.67000 1.000 C21 C -2.76000 -0.32700 1.57700 1.000 C22 C -2.24100 -1.73800 1.94400 1.000 C23 C -0.77400 -1.81100 1.44300 1.000 C24 C -0.35900 -0.34000 1.41600 1.000 C25 C -3.97800 -0.43200 0.69700 1.000 C26 C -5.03800 0.39400 0.91900 1.000 C27 C -6.17400 0.29800 0.10000 1.000 C28 C -7.29600 1.12300 0.28100 1.000 N29 N -8.33500 0.99600 -0.51100 1.000 C30 C -8.38300 0.11000 -1.49600 1.000 C31 C -7.34700 -0.73600 -1.75400 1.000 C32 C -6.19700 -0.66000 -0.94700 1.000 C33 C -5.08800 -1.49400 -1.14600 1.000 C34 C -4.00000 -1.36800 -0.33500 1.000 H35 H 7.75500 -2.08400 1.23300 1.000 H36 H 6.79800 -0.61100 1.51900 1.000 H37 H 5.99800 -2.20100 1.49200 1.000 H38 H 5.60800 -3.31600 -0.59500 1.000 H39 H 6.28600 -2.64700 -2.09900 1.000 H40 H 7.36600 -3.34700 -0.86900 1.000 H41 H 5.15100 -0.68000 -1.72500 1.000 H42 H 4.00600 -2.17200 -0.11900 1.000 H43 H 4.46800 -1.09600 1.21300 1.000 H44 H 5.76400 0.89600 0.81700 1.000 H45 H 2.39600 -0.28700 -2.18700 1.000 H46 H 2.38400 -1.91700 -1.43900 1.000 H47 H 0.18300 0.01400 -1.56400 1.000 H48 H 0.17200 -1.61500 -0.81300 1.000 H49 H -0.17200 0.03700 2.42100 1.000 H50 H 2.37000 3.08600 -0.18200 1.000 H51 H 0.05500 3.35300 0.49200 1.000 H52 H 4.54000 1.71900 -1.84900 1.000 H53 H 5.53500 3.44100 -0.52600 1.000 H54 H 7.15000 2.16000 -0.66500 1.000 H55 H -1.67300 2.09900 2.03200 1.000 H56 H -2.22900 2.33700 0.36000 1.000 H57 H -1.08000 0.67600 -1.24100 1.000 H58 H -1.40800 -1.02500 -0.83200 1.000 H59 H -2.75600 0.12600 -0.99700 1.000 H60 H -2.99400 0.23600 2.48100 1.000 H61 H -2.27500 -1.88000 3.02400 1.000 H62 H -2.84400 -2.49900 1.44700 1.000 H63 H -0.15500 -2.36800 2.14600 1.000 H64 H -0.72900 -2.25800 0.45000 1.000 H65 H -5.00500 1.11800 1.72000 1.000 H66 H -3.14400 -2.00800 -0.49100 1.000 H67 H -7.30400 1.86000 1.07000 1.000 H68 H -9.26900 0.05700 -2.11200 1.000 H69 H -7.40700 -1.45100 -2.56100 1.000 H70 H -5.09300 -2.22700 -1.93900 1.000