# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JR5' 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 -1.89900 0.22900 -2.79700 1.000 C1 C -4.24200 -0.47200 -0.13700 1.000 C2 C -3.41100 0.46900 0.47600 1.000 C3 C -2.45800 0.83500 -0.42500 1.000 C4 C -0.15600 1.41900 -0.49000 1.000 C5 C 0.96400 2.36700 -0.14800 1.000 C6 C 1.24500 3.30000 -1.34400 1.000 C7 C 2.79200 3.42700 -1.33100 1.000 C8 C 3.21600 2.00900 -0.87400 1.000 C9 C 2.06800 -1.09000 0.62900 1.000 C10 C 3.05800 -1.77100 -0.05600 1.000 C11 C 2.79500 -3.01700 -0.59400 1.000 C12 C 1.54000 -3.58300 -0.44500 1.000 C13 C 0.55000 -2.90100 0.24200 1.000 C14 C 0.81600 -1.65500 0.77800 1.000 C15 C -3.88500 0.71900 1.89100 1.000 C16 C -5.32900 0.17600 1.93600 1.000 C17 C -5.31600 -0.90900 0.83600 1.000 F18 F 1.28200 -4.80100 -0.97000 1.000 N19 N -2.68600 0.14400 -1.56500 1.000 N20 N -3.80900 -0.66700 -1.35900 1.000 N21 N -1.43100 1.75500 -0.21200 1.000 N22 N 2.19700 1.61000 0.11400 1.000 O23 O 0.08900 0.35400 -1.01500 1.000 O24 O 1.38600 0.74200 2.27700 1.000 O25 O 3.79100 0.50600 1.64000 1.000 S26 S 2.40700 0.49500 1.32000 1.000 H27 H -1.14800 -0.56100 -2.80400 1.000 H28 H -2.55800 0.11300 -3.65800 1.000 H29 H -1.40500 1.20000 -2.84700 1.000 H30 H 0.69700 2.95600 0.72900 1.000 H31 H 0.90400 2.84800 -2.27500 1.000 H32 H 0.77500 4.27200 -1.19400 1.000 H33 H 3.17500 3.64800 -2.32700 1.000 H34 H 3.11500 4.18200 -0.61300 1.000 H35 H 3.21400 1.32200 -1.72000 1.000 H36 H 4.20200 2.03900 -0.41100 1.000 H37 H 4.03600 -1.32800 -0.17200 1.000 H38 H 3.56800 -3.54800 -1.12900 1.000 H39 H -0.42800 -3.34200 0.35800 1.000 H40 H 0.04300 -1.12300 1.31400 1.000 H41 H -3.25700 0.18000 2.60100 1.000 H42 H -3.87500 1.78600 2.11100 1.000 H43 H -5.54700 -0.26500 2.90900 1.000 H44 H -6.04500 0.96400 1.70200 1.000 H45 H -6.28400 -0.95400 0.33700 1.000 H46 H -5.06500 -1.87900 1.26500 1.000 H47 H -1.63600 2.63700 0.13700 1.000