# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0GR' 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 3.19700 0.52300 0.23600 1.000 C1 C 4.46000 0.36200 0.96400 1.000 C2 C 5.49000 1.25800 0.99200 1.000 C3 C 6.48900 0.70000 1.80500 1.000 C4 C 6.03200 -0.49900 2.22900 1.000 O5 O 2.99500 1.53100 -0.41600 1.000 O6 O 4.81000 -0.70000 1.71900 1.000 N7 N 2.26100 -0.44500 0.28700 1.000 C8 C 1.00000 -0.28500 -0.44000 1.000 C9 C -0.06900 -1.11700 0.21900 1.000 O10 O 0.19600 -1.78000 1.19900 1.000 C11 C 1.18400 -0.74400 -1.88800 1.000 C12 C 2.17900 0.18100 -2.59300 1.000 C13 C 2.45900 -0.35000 -4.00100 1.000 C14 C 1.58900 1.58900 -2.68700 1.000 N15 N -1.32100 -1.12600 -0.28200 1.000 C16 C -2.36000 -1.93500 0.35800 1.000 C17 C -2.29500 -3.34500 -0.16900 1.000 O18 O -1.46500 -3.64400 -0.99500 1.000 C19 C -3.73500 -1.33800 0.04900 1.000 C20 C -3.84400 0.02500 0.68100 1.000 C21 C -4.38500 0.30900 1.87700 1.000 C22 C -3.37600 1.29100 0.11200 1.000 N23 N -4.30600 1.65400 2.11700 1.000 C24 C -3.69400 2.28400 1.05600 1.000 C25 C -2.73700 1.64100 -1.07900 1.000 C26 C -3.36500 3.60900 0.78900 1.000 C27 C -2.42400 2.94900 -1.32200 1.000 C28 C -2.73500 3.93200 -0.39300 1.000 O29 O -3.15900 -4.27000 0.27900 1.000 H30 H 5.52900 2.21200 0.48600 1.000 H31 H 7.44400 1.14400 2.04400 1.000 H32 H 6.56500 -1.18400 2.87200 1.000 H33 H 2.42100 -1.24700 0.81000 1.000 H34 H 0.70400 0.76400 -0.42600 1.000 H35 H 1.56600 -1.76500 -1.90000 1.000 H36 H 0.22600 -0.70800 -2.40500 1.000 H37 H 3.10900 0.21400 -2.02600 1.000 H38 H 1.52800 -0.38300 -4.56800 1.000 H39 H 3.16700 0.30800 -4.50300 1.000 H40 H 2.87900 -1.35400 -3.93400 1.000 H41 H 0.65800 1.55600 -3.25400 1.000 H42 H 1.39000 1.96700 -1.68400 1.000 H43 H 2.29700 2.24700 -3.19000 1.000 H44 H -1.53300 -0.59600 -1.06600 1.000 H45 H -2.20200 -1.94200 1.43700 1.000 H46 H -3.85700 -1.24800 -1.03100 1.000 H47 H -4.51200 -1.98800 0.44900 1.000 H48 H -4.81900 -0.41600 2.54900 1.000 H49 H -4.63000 2.09800 2.91600 1.000 H50 H -2.49100 0.88200 -1.80600 1.000 H51 H -3.60400 4.38100 1.50500 1.000 H52 H -1.93000 3.22000 -2.24300 1.000 H53 H -2.48100 4.96200 -0.59800 1.000 H54 H -3.07800 -5.16100 -0.08800 1.000