# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JHS' 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 -2.30000 -1.46000 1.20900 1.000 C1 C 1.88400 -0.72900 1.12700 1.000 C2 C 3.93200 -0.15900 0.02600 1.000 C3 C 1.88200 -0.20600 -1.20900 1.000 C4 C -0.72700 3.98100 0.89100 1.000 C5 C -1.07200 2.83100 -0.02000 1.000 O6 O -1.73100 3.02600 -1.02000 1.000 N7 N -0.64900 1.58600 0.27700 1.000 C8 C -0.98500 0.46800 -0.60900 1.000 C9 C -0.28900 -0.80100 -0.11300 1.000 C10 C -0.59700 -1.96000 -1.06600 1.000 C11 C -2.10300 -2.23500 -1.05200 1.000 O12 O -2.52000 -2.52600 0.28300 1.000 C13 C -0.80200 -1.15500 1.28600 1.000 C14 C 1.20000 -0.57200 -0.06400 1.000 C15 C 3.25000 -0.52000 1.17300 1.000 C16 C 3.24900 -0.00800 -1.16600 1.000 H17 H -2.83600 -0.57200 0.87500 1.000 H18 H -2.66200 -1.75400 2.19500 1.000 H19 H 1.35100 -1.01100 2.02300 1.000 H20 H 4.99900 0.00600 0.06200 1.000 H21 H 1.34800 -0.08800 -2.14100 1.000 H22 H 0.21800 4.42400 0.57500 1.000 H23 H -1.51500 4.73300 0.84100 1.000 H24 H -0.63500 3.61900 1.91400 1.000 H25 H -0.12300 1.43100 1.07600 1.000 H26 H -2.06400 0.31500 -0.60700 1.000 H27 H -0.65200 0.69400 -1.62100 1.000 H28 H -0.28500 -1.69400 -2.07600 1.000 H29 H -0.06100 -2.85200 -0.74100 1.000 H30 H -2.63700 -1.35600 -1.41600 1.000 H31 H -2.32400 -3.08600 -1.69600 1.000 H32 H -0.63600 -0.31300 1.95800 1.000 H33 H -0.27000 -2.03000 1.65800 1.000 H34 H 3.78300 -0.63700 2.10500 1.000 H35 H 3.78400 0.26500 -2.06400 1.000