# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JRS' 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 0.35200 -2.02100 -1.60700 1.000 O1 O -0.52700 -1.40300 -0.66400 1.000 C2 C 1.61800 -1.17500 -1.75500 1.000 N3 N 2.35400 -1.16900 -0.48300 1.000 C4 C 3.57800 -0.36400 -0.58800 1.000 C5 C 4.31600 -0.38200 0.75200 1.000 N6 N -2.98600 -3.30700 1.22300 1.000 C7 C 5.57300 0.44400 0.64500 1.000 C8 C 6.75500 -0.14700 0.24300 1.000 C9 C 7.90900 0.61200 0.14400 1.000 F10 F 9.06600 0.03500 -0.25000 1.000 C11 C 7.87700 1.96200 0.44800 1.000 C12 C 6.69300 2.55100 0.85000 1.000 C13 C 5.54000 1.79300 0.94400 1.000 N14 N -5.49400 0.09700 0.33200 1.000 C15 C -1.60700 -3.11600 0.72500 1.000 C16 C -4.60100 0.47700 -0.56200 1.000 C17 C -1.74600 -2.11800 -0.45100 1.000 C18 C -4.56200 1.78000 -1.01400 1.000 C19 C -2.86000 -1.17200 0.07000 1.000 C20 C -5.47700 2.70000 -0.51900 1.000 C21 C -3.78600 -2.12600 0.85400 1.000 C22 C -6.40200 2.27300 0.41700 1.000 C23 C -6.38400 0.94400 0.82800 1.000 N24 N -7.30700 0.50100 1.76800 1.000 C25 C -3.61100 -0.52600 -1.09600 1.000 C26 C -5.46300 4.13100 -0.99000 1.000 H27 H 0.61900 -3.01700 -1.25500 1.000 H28 H -0.14800 -2.09900 -2.57200 1.000 H29 H 2.24800 -1.59700 -2.53700 1.000 H30 H 1.34300 -0.15400 -2.02000 1.000 H31 H 1.77000 -0.84200 0.27100 1.000 H32 H 4.22200 -0.78100 -1.36300 1.000 H33 H 3.31800 0.66200 -0.84500 1.000 H34 H 3.67300 0.03500 1.52700 1.000 H35 H 4.57700 -1.40900 1.01000 1.000 H36 H -3.39200 -4.15100 0.84800 1.000 H37 H 6.77900 -1.20100 0.00600 1.000 H38 H 8.77600 2.55500 0.37200 1.000 H39 H 6.66700 3.60400 1.08800 1.000 H40 H 4.61400 2.25500 1.25400 1.000 H41 H -0.97600 -2.69400 1.50800 1.000 H42 H -1.19600 -4.06200 0.37400 1.000 H43 H -2.06100 -2.62800 -1.36100 1.000 H44 H -3.82700 2.08200 -1.74600 1.000 H45 H -2.44300 -0.41200 0.73000 1.000 H46 H -4.62500 -2.42700 0.22700 1.000 H47 H -4.15300 -1.63000 1.75300 1.000 H48 H -7.12800 2.96100 0.82300 1.000 H49 H -7.29800 -0.42500 2.05800 1.000 H50 H -7.96000 1.11700 2.13400 1.000 H51 H -4.14000 -1.29600 -1.65800 1.000 H52 H -2.90100 -0.02200 -1.75100 1.000 H53 H -6.11200 4.23400 -1.85900 1.000 H54 H -5.82000 4.78000 -0.19100 1.000 H55 H -4.44500 4.41500 -1.26100 1.000