# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J13' 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 -2.98500 -0.17000 0.99600 1.000 O1 O -0.41800 0.16300 1.75000 1.000 C2 C -3.41800 1.28800 1.16000 1.000 C3 C -3.80800 1.86100 -0.20500 1.000 C4 C -4.96500 1.04700 -0.78700 1.000 C5 C -4.53200 -0.41100 -0.95100 1.000 C6 C -4.14200 -0.98300 0.41300 1.000 N7 N -1.83500 -0.23900 0.09000 1.000 C8 C -0.58800 -0.05700 0.56900 1.000 C9 C 0.59500 -0.12800 -0.36200 1.000 C10 C 1.88200 0.11200 0.43000 1.000 C11 C 3.08300 0.04000 -0.51600 1.000 C12 C 4.37000 0.27900 0.27600 1.000 C13 C 5.57100 0.20700 -0.67000 1.000 C14 C 6.85800 0.44700 0.12200 1.000 C15 C 8.05900 0.37500 -0.82300 1.000 N16 N 9.29200 0.60400 -0.06600 1.000 N17 N 10.09000 -0.18700 -0.03800 1.000 N18 N 10.88700 -0.97800 -0.01000 1.000 C19 C -3.71500 -2.42000 0.25100 1.000 O20 O -2.60000 -2.75800 0.57000 1.000 O21 O -4.57400 -3.32300 -0.24600 1.000 O22 O -5.61300 -1.17100 -1.49600 1.000 O23 O -5.32900 1.58200 -2.06200 1.000 O24 O -4.21300 3.22300 -0.05200 1.000 H25 H -2.70700 -0.57800 1.96700 1.000 H26 H -2.59300 1.86800 1.57500 1.000 H27 H -2.95200 1.81000 -0.87800 1.000 H28 H -5.82100 1.09900 -0.11400 1.000 H29 H -3.67600 -0.46200 -1.62500 1.000 H30 H -4.99700 -0.93200 1.08600 1.000 H31 H -1.97100 -0.41500 -0.85400 1.000 H32 H 0.63200 -1.11300 -0.82700 1.000 H33 H 0.49500 0.63500 -1.13400 1.000 H34 H 1.84400 1.09600 0.89500 1.000 H35 H 1.98100 -0.65200 1.20200 1.000 H36 H 3.12000 -0.94600 -0.98100 1.000 H37 H 2.98400 0.80300 -1.28800 1.000 H38 H 4.33200 1.26400 0.74100 1.000 H39 H 4.46900 -0.48400 1.04800 1.000 H40 H 5.60800 -0.77800 -1.13500 1.000 H41 H 5.47200 0.97000 -1.44200 1.000 H42 H 6.82000 1.43200 0.58700 1.000 H43 H 6.95700 -0.31600 0.89400 1.000 H44 H 8.09700 -0.61000 -1.28900 1.000 H45 H 7.96000 1.13800 -1.59600 1.000 H46 H -5.91300 -0.86300 -2.36200 1.000 H47 H -5.61500 2.50600 -2.03300 1.000 H48 H -4.47400 3.65100 -0.87800 1.000 H49 H -4.25500 -4.23200 -0.33100 1.000 O50 O -4.53900 1.35500 2.04300 1.000 H51 H -4.86800 2.25200 2.19300 1.000