# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J3V' 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 -2.97400 0.07600 -0.61800 1.000 C1 C -5.25900 -0.15400 0.06000 1.000 C2 C -3.84000 -2.08200 -0.01000 1.000 C3 C 4.28800 0.35500 0.25000 1.000 C4 C 4.28600 -1.02700 0.19700 1.000 C5 C 3.12700 -1.70500 -0.14500 1.000 C6 C 1.96600 -0.99200 -0.43500 1.000 C7 C 1.97600 0.39400 -0.38000 1.000 C8 C 3.13600 1.06300 -0.03800 1.000 O9 O 3.12400 -3.06400 -0.19800 1.000 N10 N 0.79100 -1.67300 -0.78200 1.000 C11 C -0.40900 -1.16300 -0.44200 1.000 N12 N -1.53400 -1.86100 -0.69300 1.000 O13 O -0.47700 -0.07200 0.09100 1.000 C14 C -2.78500 -1.28800 -0.44000 1.000 C15 C -4.21000 0.63900 -0.36800 1.000 C16 C -5.07400 -1.51300 0.23900 1.000 S17 S 3.14500 2.82400 0.03700 1.000 O18 O 1.79800 3.22300 0.24700 1.000 O19 O 4.20700 3.18200 0.91000 1.000 N20 N 3.56700 3.37600 -1.46600 1.000 N21 N 5.52100 -1.78100 0.50600 1.000 O22 O 6.54000 -1.18500 0.80700 1.000 O23 O 5.51900 -2.99800 0.46000 1.000 C24 C -6.60600 0.46300 0.33300 1.000 F25 F -6.67100 0.86700 1.67100 1.000 F26 F -6.78700 1.57400 -0.49800 1.000 F27 F -7.61000 -0.47700 0.08000 1.000 H28 H -2.15400 0.69700 -0.94800 1.000 H29 H -3.69600 -3.14300 0.12900 1.000 H30 H 5.19100 0.88200 0.52100 1.000 H31 H 1.07800 0.94900 -0.60500 1.000 H32 H 2.89000 -3.49000 0.63900 1.000 H33 H 0.84200 -2.51200 -1.26700 1.000 H34 H -1.47600 -2.76200 -1.05000 1.000 H35 H -4.35800 1.70000 -0.50600 1.000 H36 H -5.89400 -2.13000 0.57300 1.000 H37 H 3.23300 4.23100 -1.78000 1.000 H38 H 4.15000 2.84600 -2.03200 1.000