# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JXS' 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 1.84900 -0.61400 0.32000 1.000 C1 C -3.08000 -0.44300 1.37100 1.000 C2 C 2.27900 -3.02700 -0.97500 1.000 C3 C -4.71700 0.85600 -0.40500 1.000 C4 C -0.54300 -1.20000 0.74900 1.000 C5 C 5.81700 3.09000 1.09700 1.000 C6 C -2.58400 -0.16600 0.10700 1.000 C7 C 3.31800 -2.12800 -0.84700 1.000 C8 C 1.03000 -2.72200 -0.46500 1.000 C9 C 5.50900 -0.07100 -0.61300 1.000 C10 C 4.22200 0.05800 -0.05600 1.000 C11 C 6.22700 1.01500 -0.25100 1.000 C12 C 3.10800 -0.91300 -0.19700 1.000 C13 C 0.81700 -1.52000 0.18600 1.000 C14 C -3.41800 0.49600 -0.79900 1.000 C15 C -4.38200 -0.06200 1.69400 1.000 N16 N -3.29500 0.93000 -2.09500 1.000 N17 N 4.18100 1.19100 0.61200 1.000 N18 N -5.15300 0.55800 0.81900 1.000 N19 N -4.40500 1.49000 -2.43500 1.000 N20 N -5.26200 1.46700 -1.47600 1.000 N21 N 5.43300 1.80800 0.50100 1.000 N22 N -4.88300 -0.35200 2.95800 1.000 O23 O -1.32300 -0.52800 -0.24200 1.000 H24 H 1.68300 0.32400 0.82900 1.000 H25 H -2.46500 -0.95300 2.09700 1.000 H26 H 2.43900 -3.96700 -1.48300 1.000 H27 H -1.04300 -2.12400 1.03900 1.000 H28 H -0.43200 -0.55700 1.62300 1.000 H29 H 6.22700 2.91900 2.09300 1.000 H30 H 6.56900 3.57100 0.47200 1.000 H31 H 4.94000 3.73300 1.17100 1.000 H32 H 4.29200 -2.36500 -1.24900 1.000 H33 H 0.21900 -3.42900 -0.56800 1.000 H34 H 5.86100 -0.89300 -1.21800 1.000 H35 H 7.25500 1.21300 -0.51600 1.000 H36 H -2.51000 0.83400 -2.65700 1.000 H37 H -5.79000 -0.09900 3.19100 1.000 H38 H -4.32400 -0.80700 3.60800 1.000