# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JH3' 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 5.06900 0.64100 0.12500 1.000 O1 O 5.77100 -0.13700 0.74000 1.000 O2 O 5.63000 1.65000 -0.57100 1.000 C3 C 7.07800 1.74500 -0.54200 1.000 C4 C 3.60800 0.47900 0.13600 1.000 C5 C 3.06200 -0.59400 0.70300 1.000 C6 C 3.93900 -1.72300 1.17900 1.000 C7 C 1.56700 -0.68000 0.86800 1.000 C8 C 0.96700 -1.44900 -0.31100 1.000 C9 C -0.52900 -1.53500 -0.14600 1.000 C10 C -1.31900 -1.02600 -1.05800 1.000 C11 C -0.73800 -0.23900 -2.20400 1.000 C12 C -2.80900 -1.22900 -0.96200 1.000 C13 C -3.44400 -0.02500 -0.26400 1.000 C14 C -4.95700 -0.23100 -0.16700 1.000 O15 O -5.53200 -0.33500 1.13700 1.000 C16 C -5.79100 0.89200 0.45200 1.000 C17 C -7.20100 1.11900 -0.09700 1.000 C18 C -5.05500 2.14500 0.93200 1.000 H19 H 7.39800 2.59800 -1.14100 1.000 H20 H 7.41300 1.87900 0.48700 1.000 H21 H 7.51100 0.83200 -0.94900 1.000 H22 H 2.97800 1.23100 -0.31600 1.000 H23 H 4.31100 -1.49700 2.17900 1.000 H24 H 3.36000 -2.64600 1.20700 1.000 H25 H 4.78000 -1.84300 0.49700 1.000 H26 H 1.33300 -1.20000 1.79700 1.000 H27 H 1.14600 0.32500 0.89900 1.000 H28 H 1.20000 -0.92900 -1.24000 1.000 H29 H 1.38700 -2.45400 -0.34100 1.000 H30 H -0.94900 -2.01600 0.72500 1.000 H31 H -0.43600 -0.92200 -2.99800 1.000 H32 H -1.48800 0.45400 -2.58600 1.000 H33 H 0.13100 0.32100 -1.85700 1.000 H34 H -3.22700 -1.33100 -1.96400 1.000 H35 H -3.01700 -2.13300 -0.38900 1.000 H36 H -3.02600 0.07600 0.73700 1.000 H37 H -3.23600 0.87800 -0.83800 1.000 H38 H -5.40700 -0.81600 -0.96900 1.000 H39 H -7.79400 0.21500 0.04000 1.000 H40 H -7.67000 1.94600 0.43700 1.000 H41 H -7.14300 1.35900 -1.15800 1.000 H42 H -4.53600 2.60600 0.09200 1.000 H43 H -5.77400 2.85200 1.34700 1.000 H44 H -4.33200 1.87000 1.70000 1.000