# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JHT' 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 6.72200 0.62300 1.86800 1.000 N1 N 5.64700 0.93500 0.92300 1.000 C2 C 5.45200 2.31200 0.46500 1.000 C3 C 4.80800 -0.08100 0.46000 1.000 C4 C 4.99200 -1.38800 0.89400 1.000 C5 C 4.16000 -2.39000 0.43400 1.000 C6 C 3.14600 -2.09300 -0.45800 1.000 C7 C 2.96000 -0.79400 -0.89200 1.000 C8 C 1.85300 -0.47600 -1.86400 1.000 N9 N 0.63000 -0.14200 -1.12100 1.000 C10 C -0.47300 0.17400 -2.03800 1.000 C11 C -1.70700 0.51000 -1.24200 1.000 C12 C -1.94300 1.83100 -0.86800 1.000 C13 C -3.05000 2.16600 -0.14900 1.000 C14 C -3.96500 1.16800 0.22200 1.000 C15 C -5.12200 1.47700 0.96700 1.000 C16 C -5.96900 0.46200 1.29400 1.000 C17 C -5.67800 -0.84900 0.89000 1.000 N18 N -6.54900 -1.87200 1.23000 1.000 N19 N -4.59600 -1.13100 0.19300 1.000 C20 C -3.72700 -0.17500 -0.15700 1.000 C21 C -2.57700 -0.48100 -0.90400 1.000 C22 C 3.78500 0.21400 -0.43100 1.000 H23 H 7.26600 1.53500 2.11400 1.000 H24 H 6.29600 0.19900 2.77700 1.000 H25 H 7.40500 -0.09700 1.41700 1.000 H26 H 6.04400 2.48300 -0.43500 1.000 H27 H 4.39800 2.47500 0.24200 1.000 H28 H 5.76900 3.00400 1.24500 1.000 H29 H 5.78500 -1.62000 1.59000 1.000 H30 H 3.63600 1.23000 -0.76700 1.000 H31 H 4.30300 -3.40600 0.77100 1.000 H32 H 2.49700 -2.87900 -0.81600 1.000 H33 H 2.14500 0.37300 -2.48200 1.000 H34 H 1.66800 -1.34200 -2.49900 1.000 H35 H 0.37500 -0.88900 -0.49200 1.000 H36 H -0.19700 1.02700 -2.65800 1.000 H37 H -0.67400 -0.68800 -2.67500 1.000 H38 H -1.24000 2.59900 -1.15300 1.000 H39 H -2.38200 -1.50000 -1.20500 1.000 H40 H -3.22300 3.19300 0.13600 1.000 H41 H -5.33100 2.49200 1.27100 1.000 H42 H -6.86300 0.66600 1.86500 1.000 H43 H -7.35000 -1.67700 1.74300 1.000 H44 H -6.35900 -2.78300 0.95600 1.000