# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '91B' 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 -2.11400 -2.10900 -0.30500 1.000 C1 C -3.10300 -1.14700 -0.40500 1.000 C2 C -0.80800 -1.73600 -0.06100 1.000 C3 C -1.48100 0.57100 -0.01700 1.000 C4 C -2.78600 0.19100 -0.26100 1.000 C5 C -0.48600 -0.39300 0.08400 1.000 C6 C 1.71700 -1.18500 0.39900 1.000 C7 C 1.30700 0.94100 -0.68400 1.000 C8 C 3.13700 -0.73200 0.74900 1.000 C9 C 2.72700 1.39300 -0.33400 1.000 C10 C 4.99800 0.62100 -0.00600 1.000 C11 C -3.86600 1.23600 -0.37100 1.000 N12 N 0.83500 -0.01200 0.33100 1.000 N13 N 3.60900 0.22000 -0.26600 1.000 N14 N -4.44600 1.48300 0.95600 1.000 H15 H -2.36600 -3.15400 -0.41400 1.000 H16 H -4.12400 -1.44200 -0.59600 1.000 H17 H -0.03600 -2.48800 0.01700 1.000 H18 H -1.23400 1.61700 0.09500 1.000 H19 H -3.43900 2.16100 -0.75900 1.000 H20 H -4.64500 0.88400 -1.04800 1.000 H21 H 1.72500 -1.69100 -0.56600 1.000 H22 H 1.35400 -1.86900 1.16600 1.000 H23 H 3.13400 -0.25000 1.72700 1.000 H24 H 3.79900 -1.59800 0.77200 1.000 H25 H 0.64500 1.80600 -0.70700 1.000 H26 H 1.31000 0.45900 -1.66200 1.000 H27 H 3.09000 2.07700 -1.10100 1.000 H28 H 2.71900 1.89900 0.63200 1.000 H29 H 5.64100 -0.26000 -0.02700 1.000 H30 H 5.32300 1.32500 -0.77100 1.000 H31 H 5.06300 1.09400 0.97400 1.000 H32 H -3.73300 1.74900 1.61800 1.000 H33 H -5.17300 2.18100 0.90900 1.000