# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JR4' 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 -5.08800 2.04700 -1.68800 1.000 C1 C -4.89900 1.16600 0.64800 1.000 C2 C -4.21700 0.03100 2.77200 1.000 C3 C -3.02400 -0.01800 0.52500 1.000 C4 C -1.90300 -0.81100 0.71700 1.000 C5 C -1.03300 -1.03800 -0.33200 1.000 C6 C -1.27600 -0.47600 -1.57400 1.000 C7 C -0.32000 -0.73000 -2.71100 1.000 C8 C -2.39000 0.31500 -1.77500 1.000 C9 C -3.26800 0.54900 -0.72800 1.000 C10 C 1.98200 0.02200 0.62700 1.000 C11 C 3.40900 0.48100 0.47000 1.000 C12 C 4.40900 -0.10000 1.22700 1.000 C13 C 5.71800 0.31700 1.08000 1.000 C14 C 6.02800 1.31600 0.17400 1.000 C15 C 5.02600 1.89700 -0.58500 1.000 C16 C 3.71700 1.47900 -0.43600 1.000 F17 F 7.30800 1.72500 0.02900 1.000 N18 N -4.44800 1.28100 -0.61500 1.000 N19 N -4.06200 0.38900 1.36000 1.000 N20 N 1.71800 -1.07900 -0.30300 1.000 O21 O -5.90900 1.68900 1.08100 1.000 O22 O 0.38700 -2.42100 1.28300 1.000 O23 O 0.40300 -2.98700 -1.15200 1.000 S24 S 0.39100 -2.04600 -0.08800 1.000 H25 H -5.99500 2.51600 -1.30900 1.000 H26 H -4.40200 2.81600 -2.04400 1.000 H27 H -5.34100 1.37800 -2.51000 1.000 H28 H -5.12200 0.49300 3.16700 1.000 H29 H -4.29100 -1.05300 2.86600 1.000 H30 H -3.35300 0.38500 3.33300 1.000 H31 H -1.71100 -1.25000 1.68500 1.000 H32 H -0.57100 -1.67600 -3.19200 1.000 H33 H -0.39700 0.07900 -3.43700 1.000 H34 H 0.69800 -0.77700 -2.32600 1.000 H35 H -2.57600 0.75100 -2.74500 1.000 H36 H 1.82100 -0.32000 1.64900 1.000 H37 H 1.30800 0.85000 0.41000 1.000 H38 H 4.16600 -0.87900 1.93500 1.000 H39 H 6.49900 -0.13700 1.67300 1.000 H40 H 5.26700 2.67700 -1.29200 1.000 H41 H 2.93600 1.92900 -1.03000 1.000 H42 H 2.32100 -1.24100 -1.04600 1.000