# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JAI' 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 -3.90100 -1.08200 -0.10200 1.000 N1 N -1.93000 0.31100 -0.35400 1.000 O2 O -3.34500 -1.83500 -0.86700 1.000 O3 O -5.11100 -1.39500 0.38500 1.000 O4 O 4.80300 -2.27400 -0.52200 1.000 C5 C -3.23100 0.20300 0.31000 1.000 C6 C -4.11000 1.38800 -0.09600 1.000 C7 C 5.36100 4.07100 0.55400 1.000 C8 C 4.50000 3.01000 -0.13300 1.000 C9 C 5.36500 1.84300 -0.53400 1.000 C10 C 5.03200 0.62700 -0.17700 1.000 C11 C 3.70200 0.37400 0.48400 1.000 C12 C 2.95000 -0.71600 -0.28300 1.000 C13 C 3.67800 -2.03700 -0.15200 1.000 C14 C 2.73200 -3.00900 0.53100 1.000 C15 C 1.32000 -2.44700 0.23300 1.000 C16 C 1.54700 -0.91600 0.32600 1.000 C17 C 0.49400 -0.16600 -0.49300 1.000 C18 C -0.84500 -0.27700 0.19000 1.000 O19 O -0.94700 -0.89500 1.22900 1.000 C20 C -6.24600 2.59400 0.37900 1.000 C21 C -5.42100 1.34400 0.69100 1.000 C22 C -4.41100 1.31000 -1.59400 1.000 H23 H -1.84800 0.80500 -1.18500 1.000 H24 H -5.50100 -2.23000 0.09200 1.000 H25 H -3.09000 0.20900 1.39000 1.000 H26 H -3.58700 2.32000 0.12100 1.000 H27 H 5.82700 3.64300 1.44100 1.000 H28 H 6.13500 4.41200 -0.13400 1.000 H29 H 4.73600 4.91500 0.84400 1.000 H30 H 3.72600 2.66900 0.55500 1.000 H31 H 4.03400 3.43800 -1.02000 1.000 H32 H 6.26100 2.00900 -1.11500 1.000 H33 H 5.71000 -0.19300 -0.35700 1.000 H34 H 3.86300 0.05000 1.51200 1.000 H35 H 3.11400 1.29200 0.48100 1.000 H36 H 2.86500 -0.44000 -1.33400 1.000 H37 H 2.84200 -4.00700 0.10800 1.000 H38 H 2.91700 -3.02900 1.60500 1.000 H39 H 0.99300 -2.73000 -0.76800 1.000 H40 H 0.60300 -2.78200 0.98200 1.000 H41 H 1.53000 -0.58900 1.36500 1.000 H42 H 0.77500 0.88400 -0.57200 1.000 H43 H 0.43000 -0.60200 -1.49000 1.000 H44 H -5.68100 3.48300 0.66300 1.000 H45 H -6.46400 2.62800 -0.68900 1.000 H46 H -7.18000 2.56300 0.93900 1.000 H47 H -5.98600 0.45600 0.40700 1.000 H48 H -5.20300 1.31000 1.75900 1.000 H49 H -5.03700 2.15500 -1.88300 1.000 H50 H -3.47700 1.34200 -2.15500 1.000 H51 H -4.93500 0.37900 -1.81100 1.000