# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JE1' 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 0.11900 -0.47800 1.11100 1.000 C1 C 0.73100 -1.08900 -0.00500 1.000 C2 C -0.07200 -1.57800 -1.01300 1.000 O3 O 0.79400 -0.03200 2.02500 1.000 C4 C -6.87900 1.30900 -0.88500 1.000 C5 C 3.00500 0.45600 -0.22500 1.000 C6 C 2.06800 1.48000 -0.35300 1.000 C7 C 2.52500 2.78400 -0.43700 1.000 C8 C 3.88600 3.02600 -0.39000 1.000 C9 C 4.35600 0.78000 -0.18600 1.000 C10 C 5.38200 -0.31400 -0.04200 1.000 C11 C -6.69400 -0.80500 0.43300 1.000 C12 C -1.96600 -0.88700 0.11500 1.000 C13 C -4.16500 -1.42300 -0.87300 1.000 C14 C -5.11200 -0.36500 -1.44900 1.000 C15 C -5.90800 0.27600 -0.31000 1.000 C16 C -4.94600 0.96600 0.66100 1.000 C17 C -3.99700 -0.07600 1.26000 1.000 F18 F 6.50200 0.18300 0.63400 1.000 F19 F 4.83200 -1.37600 0.68400 1.000 F20 F 5.76500 -0.76500 -1.31000 1.000 N21 N -1.22800 -0.39100 1.14500 1.000 N22 N -1.39700 -1.46700 -0.92000 1.000 N23 N -3.33500 -0.79800 0.16600 1.000 N24 N -7.64400 1.92300 0.20800 1.000 N25 N 4.74800 2.03600 -0.26900 1.000 S26 S 2.48500 -1.22400 -0.10700 1.000 H27 H 0.37300 -2.04900 -1.87700 1.000 H28 H -6.31900 2.07900 -1.41500 1.000 H29 H -7.56400 0.81700 -1.57600 1.000 H30 H 1.01000 1.26100 -0.38700 1.000 H31 H 1.82800 3.60200 -0.53700 1.000 H32 H 4.24800 4.04200 -0.45600 1.000 H33 H -6.00200 -1.54100 0.84300 1.000 H34 H -7.26100 -0.34900 1.24500 1.000 H35 H -7.38000 -1.29600 -0.25700 1.000 H36 H -4.74600 -2.23500 -0.43800 1.000 H37 H -3.52800 -1.81400 -1.66700 1.000 H38 H -4.53200 0.40100 -1.96400 1.000 H39 H -5.79800 -0.83600 -2.15300 1.000 H40 H -4.36800 1.71900 0.12600 1.000 H41 H -5.51500 1.44200 1.45900 1.000 H42 H -3.24900 0.42200 1.87600 1.000 H43 H -4.56500 -0.77900 1.87000 1.000 H44 H -7.02800 2.33000 0.89600 1.000 H45 H -8.29300 2.61000 -0.14600 1.000 H46 H -1.66800 0.03300 1.89800 1.000