# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJY' 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 5.62900 2.88200 0.20900 1.000 C1 C -4.68500 -0.41500 -2.33000 1.000 C2 C -6.70600 0.42300 0.63500 1.000 C3 C -4.12400 0.57700 1.69200 1.000 C4 C 3.53300 2.26800 -0.76500 1.000 C5 C 5.82500 1.59900 0.67100 1.000 C6 C -4.29500 0.23900 0.34000 1.000 C7 C 2.94200 -0.22800 -0.43400 1.000 C8 C -3.18900 -0.01600 -0.49600 1.000 C9 C -0.85700 -0.20900 -0.91200 1.000 C10 C 3.14700 -2.61100 0.34300 1.000 C11 C -6.50200 0.74300 1.94200 1.000 C12 C -5.21500 0.81700 2.47000 1.000 C13 C 4.48500 3.21000 -0.50600 1.000 C14 C -5.77400 -0.17000 -1.55200 1.000 C15 C -3.39700 -0.34200 -1.80700 1.000 C16 C -5.60400 0.16300 -0.19700 1.000 C17 C 3.71300 0.95300 -0.31700 1.000 C18 C 4.87000 0.61800 0.41400 1.000 C19 C 3.60300 -1.22000 0.22100 1.000 C20 C 1.62500 -0.36300 -1.15300 1.000 C21 C 0.48000 -0.07200 -0.18100 1.000 N22 N 4.78300 -0.71600 0.73400 1.000 O23 O 3.89300 -3.50800 1.02000 1.000 O24 O 2.09800 -2.95400 -0.16700 1.000 O25 O -1.92600 0.06300 -0.00300 1.000 H26 H 6.37100 3.64100 0.41000 1.000 H27 H -4.82200 -0.67500 -3.37000 1.000 H28 H -7.70900 0.36800 0.23900 1.000 H29 H -3.13100 0.64700 2.11300 1.000 H30 H 2.64800 2.53200 -1.32600 1.000 H31 H 6.71500 1.35400 1.23000 1.000 H32 H -0.89300 0.50100 -1.73800 1.000 H33 H -0.95700 -1.22300 -1.29900 1.000 H34 H -7.35100 0.94200 2.58000 1.000 H35 H -5.08100 1.07300 3.51100 1.000 H36 H 4.34800 4.22100 -0.86100 1.000 H37 H -6.76700 -0.23100 -1.97400 1.000 H38 H -2.55000 -0.54600 -2.44500 1.000 H39 H 1.58900 0.34700 -1.98000 1.000 H40 H 1.52400 -1.37700 -1.54000 1.000 H41 H 0.58100 0.94200 0.20600 1.000 H42 H 0.51700 -0.78200 0.64600 1.000 H43 H 5.44200 -1.22000 1.23700 1.000 H44 H 3.55200 -4.41100 1.07300 1.000