# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JTH' 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 1.73000 -0.43600 -0.00100 1.000 O1 O 2.79900 -1.03200 0.00400 1.000 C2 C 0.57100 -1.24400 -0.00100 1.000 O3 O 0.78400 -2.58300 -0.00200 1.000 C4 C -0.75300 -0.84400 -0.00000 1.000 C5 C -1.27000 0.44600 0.00000 1.000 C6 C -0.59700 1.65300 -0.00000 1.000 C7 C 0.77100 1.89100 -0.00100 1.000 C8 C 1.80900 0.97400 -0.00100 1.000 O9 O 3.06000 1.49700 -0.00000 1.000 C10 C -3.32900 -0.14500 -1.24800 1.000 C11 C -2.77400 0.54200 0.00100 1.000 C12 C -3.32900 -0.14600 1.25000 1.000 H13 H -1.48300 -1.64000 -0.00000 1.000 H14 H -1.22200 2.53300 -0.00000 1.000 H15 H 1.06500 2.93000 -0.00200 1.000 H16 H -4.41700 -0.07600 -1.24800 1.000 H17 H -2.93400 0.34500 -2.13800 1.000 H18 H -3.03200 -1.19400 -1.24900 1.000 H19 H -3.07100 1.59100 0.00100 1.000 H20 H -2.93300 0.34400 2.14000 1.000 H21 H -4.41600 -0.07600 1.25000 1.000 H22 H -3.03200 -1.19400 1.25000 1.000 H23 H 1.71900 -2.83300 -0.00200 1.000 H24 H 3.76300 0.83400 -0.00000 1.000