# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JXV' 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 2.28800 0.46700 -0.08500 1.000 C1 C 3.64700 0.75900 0.02400 1.000 C2 C 1.86800 -0.86000 -0.16100 1.000 C3 C 4.57500 -0.26800 0.05700 1.000 C4 C 2.79500 -1.88000 -0.12700 1.000 C5 C 4.14900 -1.59100 -0.01700 1.000 C6 C 1.29300 1.56400 -0.11400 1.000 C7 C -0.07200 1.28200 -0.11200 1.000 C8 C -2.84800 0.75300 -0.11100 1.000 C9 C -4.37800 0.78300 -0.11800 1.000 C10 C -5.72900 -2.55900 -1.24100 1.000 C11 C -5.24400 -1.26500 -1.26800 1.000 C12 C -5.06800 -1.28000 1.12000 1.000 O13 O -4.84600 1.49200 1.03100 1.000 C14 C 6.77100 -1.02800 0.56100 1.000 C15 C -0.96600 2.35100 -0.14000 1.000 C16 C 0.81100 3.81900 -0.16700 1.000 C17 C -5.88500 -3.21400 -0.03300 1.000 C18 C -5.55400 -2.57400 1.14700 1.000 C19 C -4.90800 -0.62800 -0.08800 1.000 C20 C 6.41200 -2.28100 -0.24900 1.000 N21 N -0.48700 3.59300 -0.16700 1.000 N22 N 1.68900 2.83800 -0.13600 1.000 N23 N -2.33300 2.12400 -0.14000 1.000 O24 O 5.04600 -2.61300 0.02100 1.000 O25 O 5.89800 0.03300 0.15700 1.000 H26 H 3.97600 1.78600 0.08300 1.000 H27 H 0.81600 -1.08900 -0.24600 1.000 H28 H 2.46700 -2.90800 -0.18500 1.000 H29 H -0.42700 0.26300 -0.09100 1.000 H30 H -2.49800 0.25200 0.79100 1.000 H31 H -2.49100 0.21200 -0.98800 1.000 H32 H -4.72800 1.28300 -1.02100 1.000 H33 H -5.99200 -3.05700 -2.16300 1.000 H34 H -5.12700 -0.75200 -2.21100 1.000 H35 H -4.80600 -0.78300 2.04200 1.000 H36 H -4.57100 1.10100 1.87200 1.000 H37 H 6.63800 -1.22700 1.62500 1.000 H38 H 7.80600 -0.74800 0.36600 1.000 H39 H 1.16500 4.83900 -0.18500 1.000 H40 H -6.26400 -4.22400 -0.01200 1.000 H41 H -5.67600 -3.08600 2.09000 1.000 H42 H 6.53800 -2.07900 -1.31300 1.000 H43 H 7.05800 -3.10800 0.04700 1.000 H44 H -2.94900 2.87300 -0.16000 1.000