# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C8H' 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 -1.77300 -0.12800 -1.09900 1.000 C1 C -2.48500 -1.25700 -0.41600 1.000 C2 C -3.07000 -0.75400 0.90500 1.000 C3 C -4.16000 0.24700 0.62300 1.000 C4 C -5.46400 -0.17900 0.45400 1.000 C5 C -6.46300 0.74000 0.19500 1.000 C6 C -6.15900 2.08500 0.10500 1.000 C7 C 0.84200 -0.30600 0.97400 1.000 C8 C 1.70200 0.90800 0.73000 1.000 C9 C 3.11500 0.91200 0.34800 1.000 O10 O 0.42900 -3.20500 0.11600 1.000 C11 C -0.25200 -2.22900 -0.11900 1.000 N12 N -1.58100 -2.36700 -0.14600 1.000 C13 C -2.15300 -3.69100 0.10700 1.000 C14 C -4.85500 2.51200 0.27400 1.000 C15 C -3.85600 1.59400 0.54000 1.000 O16 O -2.43000 0.69500 -1.70000 1.000 N17 N -0.44400 0.01100 -1.06700 1.000 C18 C 0.15800 1.14900 -1.76800 1.000 C19 C 0.43200 -0.91800 -0.36700 1.000 C20 C 4.05700 -0.08900 0.10200 1.000 N21 N 3.67400 -1.51400 0.21900 1.000 O22 O 4.52300 -2.38300 0.12700 1.000 O23 O 2.51000 -1.81800 0.40700 1.000 C24 C 1.31500 2.19100 0.81700 1.000 N25 N 2.36700 3.01600 0.52600 1.000 C26 C 3.48400 2.26500 0.23500 1.000 C27 C 4.78900 2.58800 -0.12200 1.000 C28 C 5.70200 1.58500 -0.35900 1.000 C29 C 5.33400 0.25100 -0.24700 1.000 H30 H -3.29700 -1.60500 -1.05500 1.000 H31 H -3.48400 -1.59500 1.46200 1.000 H32 H -2.28400 -0.28000 1.49300 1.000 H33 H -5.70100 -1.23000 0.52400 1.000 H34 H -7.48200 0.40700 0.06200 1.000 H35 H -6.94000 2.80300 -0.09800 1.000 H36 H 1.40500 -1.03900 1.55100 1.000 H37 H -0.05000 -0.01400 1.52800 1.000 H38 H -2.16900 -4.26400 -0.82000 1.000 H39 H -1.54700 -4.21400 0.84700 1.000 H40 H -3.17100 -3.58200 0.48400 1.000 H41 H -4.61800 3.56300 0.20900 1.000 H42 H -2.83800 1.92700 0.67200 1.000 H43 H -0.63000 1.79300 -2.15800 1.000 H44 H 0.78000 1.71500 -1.07500 1.000 H45 H 0.77100 0.78400 -2.59200 1.000 H46 H 1.32500 -1.09000 -0.96800 1.000 H47 H 0.32100 2.52200 1.07700 1.000 H48 H 2.33100 3.98500 0.52300 1.000 H49 H 5.08600 3.62300 -0.21200 1.000 H50 H 6.71500 1.83800 -0.63600 1.000 H51 H 6.06200 -0.52400 -0.43700 1.000