# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JHH' 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 -0.89400 -0.19300 -0.48900 1.000 C1 C -0.21400 -1.91900 1.06500 1.000 C2 C -4.60000 0.23600 -0.39000 1.000 C3 C -4.17200 1.62900 0.13700 1.000 C4 C -2.61900 1.66000 0.08900 1.000 C5 C -4.74700 2.73000 -0.75700 1.000 C6 C 1.33900 0.89200 -0.60000 1.000 C7 C 2.20200 -0.19700 -1.19500 1.000 C8 C -0.74000 -1.73000 -0.38000 1.000 C9 C 2.19300 -1.11800 1.05000 1.000 C10 C 2.55100 -2.41100 1.80300 1.000 C11 C 2.09300 2.06200 -0.05500 1.000 C12 C 4.22800 0.99100 -0.40700 1.000 C13 C 3.55300 0.39700 -1.60500 1.000 C14 C 4.42600 -0.69400 -2.22000 1.000 C15 C 3.09300 0.00500 1.61100 1.000 C16 C -2.03800 -2.45300 -0.53500 1.000 C17 C 4.37700 0.09700 0.80700 1.000 C18 C -3.20700 -1.90600 -0.73500 1.000 C19 C -3.30700 -0.42700 -0.84500 1.000 C20 C -2.23400 0.17900 0.10400 1.000 C21 C -1.99700 -3.95700 -0.45500 1.000 C22 C 0.27200 0.37700 0.34300 1.000 C23 C 0.73900 -0.73100 1.29200 1.000 O24 O -5.21100 -0.52500 0.65300 1.000 O25 O -2.10100 2.33500 1.23900 1.000 O26 O 2.41400 -1.30000 -0.33900 1.000 O27 O 3.42600 2.13500 0.03600 1.000 O28 O 1.44100 3.02500 0.33500 1.000 H29 H -0.82300 0.13200 -1.52600 1.000 H30 H -1.05600 -1.84700 1.76800 1.000 H31 H 0.25100 -2.88700 1.16900 1.000 H32 H -5.28600 0.34400 -1.23200 1.000 H33 H -4.51700 1.76400 1.16200 1.000 H34 H -2.27100 2.14100 -0.82600 1.000 H35 H -5.83500 2.68400 -0.73600 1.000 H36 H -4.41700 3.70300 -0.39200 1.000 H37 H -4.39600 2.58800 -1.77900 1.000 H38 H 0.77400 1.30600 -1.46200 1.000 H39 H 1.71100 -0.55900 -2.10600 1.000 H40 H -0.01000 -2.09300 -1.10000 1.000 H41 H 2.37100 -2.27300 2.86800 1.000 H42 H 1.93400 -3.23000 1.43300 1.000 H43 H 3.60300 -2.64700 1.64000 1.000 H44 H 5.23200 1.33800 -0.70900 1.000 H45 H 3.38200 1.18000 -2.34700 1.000 H46 H 3.92900 -1.10500 -3.09900 1.000 H47 H 5.38700 -0.27000 -2.51100 1.000 H48 H 4.58500 -1.48700 -1.48900 1.000 H49 H 2.56100 0.94500 1.63000 1.000 H50 H 3.35200 -0.25700 2.64900 1.000 H51 H 4.68800 -0.90100 0.49700 1.000 H52 H 5.16700 0.50700 1.44900 1.000 H53 H -4.08900 -2.52300 -0.82800 1.000 H54 H -3.08800 -0.12600 -1.87200 1.000 H55 H -2.33700 -0.23100 1.10700 1.000 H56 H -2.13700 -4.27000 0.58000 1.000 H57 H -2.79300 -4.37600 -1.07100 1.000 H58 H -1.03300 -4.31500 -0.81500 1.000 H59 H -0.10200 1.21300 0.94400 1.000 H60 H 0.62700 -0.37900 2.33100 1.000 H61 H -6.01600 -0.12600 1.01200 1.000 H62 H -2.37800 3.25900 1.31100 1.000