# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDX' 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 0.73000 -4.56700 -1.61300 1.000 C1 C -0.51100 -5.12100 -1.34700 1.000 C2 C 1.10600 -3.38700 -1.00600 1.000 C3 C -1.38100 -4.49500 -0.47400 1.000 C4 C -5.34600 0.49800 0.32600 1.000 C5 C 3.77700 1.49200 -0.64700 1.000 C6 C 4.71800 0.25500 1.17600 1.000 C7 C -5.90000 1.57700 -0.34400 1.000 C8 C 5.04500 1.84900 -1.06400 1.000 C9 C 5.98800 0.60800 0.76300 1.000 C10 C 0.23200 -2.75000 -0.12300 1.000 C11 C -3.18800 1.54800 0.23400 1.000 C12 C 3.61300 0.69700 0.47100 1.000 C13 C -1.01800 -3.31400 0.14000 1.000 C14 C -4.00000 0.47700 0.61600 1.000 C15 C -5.11000 2.64100 -0.72800 1.000 C16 C -3.75300 2.63800 -0.44400 1.000 C17 C 6.15500 1.40700 -0.35900 1.000 C18 C 0.62800 -1.48500 0.53100 1.000 C19 C -1.74600 1.53300 0.54200 1.000 C20 C -3.62000 4.75800 -1.50600 1.000 C21 C 8.50000 1.26400 0.00700 1.000 C22 C 2.22900 0.31000 0.92300 1.000 C23 C -1.96800 -2.63300 1.09100 1.000 C24 C -3.40300 -0.70000 1.34500 1.000 N25 N 1.83600 -0.94400 0.27500 1.000 N26 N -2.65100 -1.53300 0.39800 1.000 O27 O -0.95100 1.14500 -0.29100 1.000 O28 O -0.13400 -0.93300 1.30000 1.000 O29 O -1.31100 1.94900 1.74700 1.000 O30 O -2.97500 3.68400 -0.81900 1.000 C31 C -3.52700 -2.04300 -0.66500 1.000 O32 O 7.40400 1.75500 -0.76700 1.000 H33 H 1.40600 -5.06300 -2.29300 1.000 H34 H -0.80000 -6.04500 -1.82500 1.000 H35 H 2.07400 -2.95600 -1.21400 1.000 H36 H -2.34800 -4.93100 -0.27100 1.000 H37 H -5.97400 -0.32900 0.62500 1.000 H38 H -6.95700 1.58400 -0.56800 1.000 H39 H 2.91200 1.84000 -1.19400 1.000 H40 H 5.17200 2.47000 -1.93800 1.000 H41 H 4.58800 -0.36600 2.04900 1.000 H42 H 6.85100 0.26400 1.31400 1.000 H43 H -5.55000 3.47800 -1.25000 1.000 H44 H 2.22400 0.17600 2.00500 1.000 H45 H 1.52500 1.09600 0.65100 1.000 H46 H -2.70600 -3.35300 1.44500 1.000 H47 H -1.41000 -2.23700 1.94000 1.000 H48 H -2.73300 -0.34100 2.12600 1.000 H49 H -4.20100 -1.29100 1.79500 1.000 H50 H 2.44500 -1.38400 -0.33800 1.000 H51 H -0.35700 1.92000 1.90300 1.000 H52 H -4.39500 5.18400 -0.86800 1.000 H53 H -2.88700 5.52700 -1.74800 1.000 H54 H -4.07100 4.38400 -2.42400 1.000 H55 H 8.41400 1.62800 1.03100 1.000 H56 H 8.48500 0.17400 0.00700 1.000 H57 H 9.43600 1.61500 -0.42600 1.000 H58 H -4.32000 -2.64600 -0.22400 1.000 H59 H -3.96500 -1.20600 -1.20800 1.000 H60 H -2.94400 -2.65700 -1.35200 1.000