# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JC1' 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 7.66500 -1.91600 -1.57700 1.000 C1 C 6.43100 -1.86000 -0.67500 1.000 C2 C 5.92600 -0.41800 -0.59000 1.000 C3 C 4.69200 -0.36200 0.31200 1.000 C4 C 4.18700 1.08000 0.39700 1.000 C5 C 3.73400 1.54400 -0.98900 1.000 C6 C 3.46700 3.05000 -0.96100 1.000 O7 O 3.14700 3.50200 -2.27800 1.000 C8 C 3.00800 1.15100 1.36900 1.000 C9 C 3.50100 1.63400 2.73500 1.000 C10 C 2.38200 -0.23700 1.51400 1.000 C11 C 1.50600 -0.30200 2.79300 1.000 C12 C 0.08100 -0.71300 2.32500 1.000 C13 C 0.35400 -1.43700 1.00500 1.000 C14 C 1.42300 -0.50700 0.36500 1.000 C15 C 0.76100 0.80500 -0.06000 1.000 C16 C 1.95700 -1.20400 -0.86500 1.000 C17 C 0.82200 -1.25100 -1.90100 1.000 C18 C -0.40300 -1.99200 -1.36800 1.000 C19 C -0.77500 -1.48800 0.01900 1.000 C20 C -2.01700 -1.12000 0.33500 1.000 C21 C -3.08000 -1.19100 -0.67000 1.000 C22 C -4.33700 -0.81800 -0.35000 1.000 C23 C -5.46500 -0.87700 -1.36000 1.000 C24 C -6.24100 0.44200 -1.29400 1.000 O25 O -7.34300 0.39000 -2.20300 1.000 C26 C -6.76400 0.66500 0.12500 1.000 C27 C -5.58800 0.87900 1.08300 1.000 O28 O -4.86300 2.05000 0.70200 1.000 C29 C -4.68100 -0.33800 1.00500 1.000 C30 C -4.21600 -0.94100 2.09900 1.000 H31 H 7.40300 -1.56400 -2.57400 1.000 H32 H 8.44800 -1.28000 -1.16200 1.000 H33 H 8.02500 -2.94300 -1.63700 1.000 H34 H 5.64800 -2.49500 -1.09000 1.000 H35 H 6.69400 -2.21200 0.32300 1.000 H36 H 6.70800 0.21700 -0.17500 1.000 H37 H 5.66300 -0.06600 -1.58800 1.000 H38 H 3.90900 -0.99700 -0.10300 1.000 H39 H 4.95400 -0.71400 1.31000 1.000 H40 H 4.99000 1.72600 0.75200 1.000 H41 H 4.51400 1.32700 -1.71800 1.000 H42 H 2.82000 1.01800 -1.26800 1.000 H43 H 2.63100 3.25900 -0.29200 1.000 H44 H 4.35600 3.57000 -0.60400 1.000 H45 H 2.96600 4.45000 -2.33600 1.000 H46 H 2.26200 1.84800 0.98600 1.000 H47 H 4.22800 0.92400 3.13000 1.000 H48 H 3.97000 2.61200 2.62700 1.000 H49 H 2.65700 1.70900 3.42000 1.000 H50 H 3.15900 -1.00000 1.54900 1.000 H51 H 1.90300 -1.04800 3.48100 1.000 H52 H 1.47400 0.67500 3.27500 1.000 H53 H -0.38400 -1.38600 3.04600 1.000 H54 H -0.54100 0.16800 2.16200 1.000 H55 H 0.76100 -2.43100 1.18700 1.000 H56 H 1.46500 1.39400 -0.64600 1.000 H57 H -0.12200 0.58800 -0.66200 1.000 H58 H 0.46600 1.36700 0.82700 1.000 H59 H 2.80300 -0.64800 -1.26800 1.000 H60 H 2.26700 -2.21800 -0.61100 1.000 H61 H 0.53500 -0.23100 -2.16000 1.000 H62 H 1.18000 -1.75500 -2.79800 1.000 H63 H -1.24200 -1.83300 -2.04500 1.000 H64 H -0.18200 -3.05800 -1.31500 1.000 H65 H -2.23900 -0.76800 1.33200 1.000 H66 H -2.85900 -1.54300 -1.66600 1.000 H67 H -5.05400 -1.01200 -2.36100 1.000 H68 H -6.12900 -1.70700 -1.12000 1.000 H69 H -5.58200 1.26500 -1.57100 1.000 H70 H -7.08600 0.25500 -3.12600 1.000 H71 H -7.40800 1.54400 0.14000 1.000 H72 H -7.33500 -0.20700 0.44200 1.000 H73 H -5.95900 0.99300 2.10200 1.000 H74 H -4.10400 2.24500 1.26800 1.000 H75 H -3.57200 -1.80200 2.00800 1.000 H76 H -4.48500 -0.56700 3.07600 1.000