# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C7H' 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 -3.98600 -0.00200 -0.42500 1.000 C1 C -1.92800 1.29700 -0.70300 1.000 C2 C -3.28200 1.21200 0.01000 1.000 C3 C -5.37500 -0.00400 0.05400 1.000 C4 C -3.28100 -1.21700 0.00100 1.000 C5 C -1.92600 -1.29600 -0.71200 1.000 C6 C -1.18400 0.00000 -0.46400 1.000 C7 C 0.09200 -0.00100 -0.04700 1.000 C8 C 0.81400 1.27000 0.19400 1.000 C9 C 0.32300 2.18600 1.11900 1.000 C10 C 1.02300 3.34800 1.37800 1.000 C11 C 2.21700 3.60400 0.72300 1.000 C12 C 2.71000 2.71700 -0.20900 1.000 C13 C 2.00300 1.54500 -0.50600 1.000 C14 C 2.48400 0.66000 -1.56200 1.000 C15 C 2.48100 -0.65700 -1.57100 1.000 C16 C 1.99700 -1.55200 -0.52300 1.000 C17 C 0.81300 -1.27200 0.19100 1.000 C18 C 0.32900 -2.18100 1.12700 1.000 C19 C 1.03100 -3.33800 1.39300 1.000 C20 C 2.22300 -3.60000 0.73500 1.000 C21 C 2.71000 -2.72000 -0.22400 1.000 H22 H -2.08400 1.44000 -1.77200 1.000 H23 H -1.35300 2.13100 -0.30100 1.000 H24 H -3.88000 2.08800 -0.23900 1.000 H25 H -3.12400 1.17400 1.08800 1.000 H26 H -5.38400 -0.05000 1.14300 1.000 H27 H -5.87400 0.90700 -0.27600 1.000 H28 H -5.89700 -0.87100 -0.35100 1.000 H29 H -3.12300 -1.18600 1.07900 1.000 H30 H -3.87800 -2.09200 -0.25400 1.000 H31 H -1.35000 -2.13200 -0.31500 1.000 H32 H -2.08200 -1.43200 -1.78200 1.000 H33 H -0.60500 1.98900 1.63400 1.000 H34 H 0.63800 4.06000 2.09300 1.000 H35 H 2.76700 4.50700 0.94600 1.000 H36 H 3.64300 2.92600 -0.71100 1.000 H37 H 2.89100 1.14100 -2.43900 1.000 H38 H 2.88200 -1.13000 -2.45500 1.000 H39 H -0.59800 -1.98000 1.64500 1.000 H40 H 0.65200 -4.04300 2.11800 1.000 H41 H 2.77700 -4.49700 0.96700 1.000 H42 H 3.63800 -2.93600 -0.73200 1.000