# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C3J' 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 -2.55300 0.16100 2.67300 1.000 C1 C -5.00000 0.70900 0.05800 1.000 C2 C -5.55100 1.41600 1.08600 1.000 C3 C -2.75300 -0.67400 0.02000 1.000 C4 C -3.64800 0.55300 1.90900 1.000 C5 C -3.74500 0.13100 0.57400 1.000 C6 C -1.66500 -1.04600 0.79100 1.000 C7 C -1.57200 -0.63000 2.11800 1.000 N8 N -6.71300 1.14600 -1.62300 1.000 C9 C -5.54800 0.55300 -1.29600 1.000 C10 C -7.26000 0.99100 -2.97400 1.000 C11 C -0.94200 -3.24300 -0.13400 1.000 C12 C 0.22100 -4.10700 0.37000 1.000 C13 C 1.50200 -3.67800 -0.34600 1.000 C14 C 1.69000 -2.18700 -0.24300 1.000 C15 C 0.62700 -1.34000 0.03600 1.000 C16 C 0.83000 0.03400 0.12000 1.000 C17 C 2.08900 0.56200 -0.07000 1.000 C18 C 3.16000 -0.28600 -0.34600 1.000 C19 C 2.95400 -1.66000 -0.43200 1.000 C20 C 4.51900 0.27600 -0.55000 1.000 C21 C 4.85900 1.34100 -1.40700 1.000 C22 C 5.66400 -0.14100 0.06200 1.000 C23 C 8.08200 0.52000 -0.00100 1.000 C24 C 2.30600 2.05000 0.02200 1.000 F25 F 1.38400 2.60200 0.91700 1.000 F26 F 3.60500 2.30500 0.47400 1.000 N27 N -0.66100 -1.85000 0.24000 1.000 N28 N 6.14700 1.54400 -1.31200 1.000 N29 N 6.67500 0.62600 -0.39600 1.000 N30 N -4.75900 1.32800 2.18000 1.000 O31 O -4.94900 -0.11000 -2.12200 1.000 H32 H -2.46900 0.48200 3.70100 1.000 H33 H -6.48000 1.96400 1.03400 1.000 H34 H -2.82700 -1.00000 -1.00700 1.000 H35 H -0.72000 -0.92400 2.71300 1.000 H36 H -7.19000 1.67400 -0.96500 1.000 H37 H -8.20000 1.53600 -3.05000 1.000 H38 H -6.55000 1.38600 -3.70000 1.000 H39 H -7.43500 -0.06600 -3.17500 1.000 H40 H -1.02000 -3.32600 -1.21800 1.000 H41 H -1.87300 -3.56900 0.32900 1.000 H42 H 0.34000 -3.96900 1.44500 1.000 H43 H 0.01700 -5.15600 0.15600 1.000 H44 H 2.35500 -4.18100 0.11000 1.000 H45 H 1.43800 -3.96100 -1.39700 1.000 H46 H -0.00200 0.68900 0.33500 1.000 H47 H 3.78500 -2.31600 -0.64600 1.000 H48 H 4.17500 1.89400 -2.03400 1.000 H49 H 5.74700 -0.94000 0.78400 1.000 H50 H 8.59400 -0.17700 -0.66500 1.000 H51 H 8.55300 1.50000 -0.06800 1.000 H52 H 8.14400 0.15600 1.02500 1.000 H53 H 2.17000 2.49800 -0.96300 1.000 H54 H -4.94400 1.75000 3.03400 1.000