# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JHN' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -5.28000 -3.65800 -0.23000 1.000 C1 C -5.83500 -2.57600 -0.14000 1.000 C2 C -7.23900 -2.49900 -0.24500 1.000 C3 C -7.88500 -1.30500 -0.14800 1.000 C4 C -7.11100 -0.13600 0.06200 1.000 N5 N -7.65800 1.08400 0.17200 1.000 C6 C -6.89400 2.12900 0.36600 1.000 C7 C -5.48300 2.00900 0.46600 1.000 O8 O -4.79200 2.99500 0.64800 1.000 N9 N -4.91700 0.78800 0.35700 1.000 C10 C -3.53400 0.29900 0.40700 1.000 C11 C -2.70700 0.92300 -0.71900 1.000 N12 N -1.30600 0.50100 -0.58800 1.000 C13 C -0.56100 0.75500 -1.82800 1.000 C14 C 0.84900 0.17300 -1.70700 1.000 C15 C 1.56300 0.82400 -0.51900 1.000 C16 C 0.74300 0.58600 0.75200 1.000 C17 C -0.66400 1.15600 0.55900 1.000 N18 N 2.89700 0.22900 -0.36200 1.000 C19 C 3.81100 1.15700 0.31700 1.000 C20 C 5.16600 0.51300 0.45900 1.000 C21 C 6.14500 0.76500 -0.48500 1.000 C22 C 7.38800 0.16800 -0.34400 1.000 C23 C 8.45900 0.42600 -1.36800 1.000 C24 C 9.82400 0.03600 -0.79300 1.000 C25 C 9.70200 -1.35500 -0.15900 1.000 O26 O 8.80100 -1.27300 0.94700 1.000 C27 C 7.60700 -0.66200 0.74400 1.000 C28 C 6.57400 -0.86800 1.65100 1.000 N29 N 5.40600 -0.27900 1.48500 1.000 C30 C -3.65800 -1.22600 0.20400 1.000 N31 N -5.10300 -1.46200 0.06400 1.000 C32 C -5.72800 -0.27200 0.15700 1.000 H33 H -7.81100 -3.40100 -0.40500 1.000 H34 H -8.96000 -1.24900 -0.22900 1.000 H35 H -7.34800 3.10500 0.45200 1.000 H36 H -3.08600 0.52200 1.37500 1.000 H37 H -3.09700 0.59300 -1.68200 1.000 H38 H -2.76700 2.00900 -0.65600 1.000 H39 H -1.07800 0.28300 -2.66500 1.000 H40 H -0.49700 1.82900 -2.00000 1.000 H41 H 0.78600 -0.90300 -1.54800 1.000 H42 H 1.40600 0.37500 -2.62100 1.000 H43 H 1.66100 1.89500 -0.69500 1.000 H44 H 0.67900 -0.48400 0.94900 1.000 H45 H 1.22400 1.08400 1.59400 1.000 H46 H -0.60000 2.22800 0.37600 1.000 H47 H -1.25500 0.97600 1.45700 1.000 H48 H 2.84500 -0.65100 0.12900 1.000 H49 H 3.90300 2.07100 -0.27000 1.000 H50 H 3.41800 1.39700 1.30400 1.000 H51 H 5.94300 1.41800 -1.32100 1.000 H52 H 8.25900 -0.16700 -2.26100 1.000 H53 H 8.46400 1.48400 -1.63000 1.000 H54 H 10.56600 0.01300 -1.59100 1.000 H55 H 10.12300 0.76000 -0.03400 1.000 H56 H 9.31400 -2.06000 -0.89500 1.000 H57 H 10.68000 -1.68600 0.18900 1.000 H58 H 6.73100 -1.51400 2.50200 1.000 H59 H -3.12900 -1.53500 -0.69800 1.000 H60 H -3.26900 -1.75800 1.07300 1.000