# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'IXF' 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 -6.80600 -0.04500 -0.39200 1.000 C1 C -5.78600 -0.90100 0.36100 1.000 C2 C -5.75200 -2.30500 -0.24600 1.000 C3 C -4.42100 -0.27200 0.24700 1.000 C4 C -3.85100 -0.08000 -0.99900 1.000 C5 C -2.60100 0.49600 -1.10700 1.000 C6 C -3.74400 0.11800 1.38800 1.000 C7 C -2.49400 0.69600 1.28700 1.000 C8 C -1.91600 0.88400 0.03800 1.000 N9 N -0.65100 1.46700 -0.06800 1.000 C10 C -0.52300 2.92100 -0.19700 1.000 C11 C 0.49400 0.66300 -0.05000 1.000 C12 C 1.75300 1.24200 -0.04000 1.000 C13 C 2.86500 0.39200 -0.02200 1.000 C14 C 4.19200 0.88900 -0.01000 1.000 N15 N 4.43800 2.24500 -0.01600 1.000 N16 N 5.18900 0.01700 0.00600 1.000 C17 C 4.96100 -1.29300 0.01200 1.000 N18 N 6.04300 -2.15300 0.03000 1.000 N19 N 3.74600 -1.80800 0.00300 1.000 C20 C 2.66800 -1.01100 -0.01400 1.000 N21 N 1.43100 -1.51000 -0.02500 1.000 C22 C 0.37600 -0.72800 -0.03700 1.000 H23 H -6.52200 0.01900 -1.44300 1.000 H24 H -7.79300 -0.50000 -0.31000 1.000 H25 H -6.83100 0.95500 0.04000 1.000 H26 H -6.07000 -0.96500 1.41100 1.000 H27 H -5.46800 -2.24100 -1.29600 1.000 H28 H -5.02500 -2.91500 0.29000 1.000 H29 H -6.73900 -2.76100 -0.16300 1.000 H30 H -4.38500 -0.38200 -1.88800 1.000 H31 H -2.15600 0.64500 -2.08000 1.000 H32 H -4.19400 -0.02900 2.35900 1.000 H33 H -1.96600 1.00100 2.17900 1.000 H34 H -0.44600 3.36900 0.79400 1.000 H35 H 0.37200 3.15800 -0.77300 1.000 H36 H -1.40000 3.31900 -0.70800 1.000 H37 H 1.87300 2.31600 -0.04600 1.000 H38 H 3.69800 2.87300 -0.02800 1.000 H39 H 5.35100 2.57200 -0.00800 1.000 H40 H 6.94600 -1.79700 0.03700 1.000 H41 H 5.90100 -3.11200 0.03400 1.000 H42 H -0.60800 -1.17300 -0.04500 1.000