# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '96K' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 1.98100 0.00100 0.03200 1.000 C1 C 0.72900 0.51300 -0.53900 1.000 C2 C -0.45800 -0.05700 0.23900 1.000 C3 C -1.76400 0.39500 -0.41900 1.000 C4 C -2.95100 -0.17600 0.35900 1.000 C5 C -4.25600 0.27600 -0.29800 1.000 C6 C -5.44400 -0.29400 0.48000 1.000 C7 C 2.21600 -1.39100 -0.37600 1.000 C8 C 3.38200 -1.96900 0.42800 1.000 C9 C 3.11700 0.85600 -0.33600 1.000 O10 O -6.66300 0.12800 -0.13400 1.000 C11 C 3.03600 2.17300 0.43700 1.000 C12 C 4.28200 3.01300 0.14800 1.000 C13 C 3.62600 -3.41800 0.00300 1.000 H14 H 0.71800 1.60100 -0.47300 1.000 H15 H -0.40700 -1.14600 0.23300 1.000 H16 H -1.81500 1.48400 -0.41300 1.000 H17 H -2.89900 -1.26500 0.35400 1.000 H18 H -4.30800 1.36500 -0.29300 1.000 H19 H -4.28900 -0.08400 -1.32600 1.000 H20 H -5.39200 -1.38300 0.47500 1.000 H21 H -5.41100 0.06600 1.50800 1.000 H22 H 1.31800 -1.98100 -0.18900 1.000 H23 H 4.28000 -1.37900 0.24100 1.000 H24 H 4.05000 0.34700 -0.09000 1.000 H25 H -7.45900 -0.19700 0.30800 1.000 H26 H 2.14800 2.72300 0.12600 1.000 H27 H 5.17000 2.46300 0.45900 1.000 H28 H 4.34000 3.22100 -0.92000 1.000 H29 H 4.22400 3.95100 0.69900 1.000 H30 H 3.86700 -3.44900 -1.06000 1.000 H31 H 4.45700 -3.83000 0.57600 1.000 H32 H 2.72900 -4.00800 0.19000 1.000 H33 H 0.65700 0.21200 -1.58500 1.000 H34 H -0.42600 0.30300 1.26700 1.000 H35 H -1.79600 0.03500 -1.44700 1.000 H36 H -2.91800 0.18400 1.38800 1.000 H37 H 2.45600 -1.42200 -1.43900 1.000 H38 H 3.14200 -1.93800 1.49100 1.000 H39 H 3.08600 1.06000 -1.40600 1.000 H40 H 2.97800 1.96500 1.50500 1.000