# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JYG' 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 6.28800 1.27800 -0.23500 1.000 C1 C 5.29400 0.24500 -0.77000 1.000 N2 N 5.50100 -1.04700 -0.10500 1.000 C3 C 4.36900 -1.37500 0.54400 1.000 O4 O 4.21100 -2.38800 1.19700 1.000 C5 C 3.35200 -0.33200 0.35200 1.000 C6 C 2.02300 0.05400 0.66500 1.000 C7 C 1.80300 1.25100 0.06000 1.000 N8 N 2.94400 1.61500 -0.61200 1.000 C9 C 3.88100 0.66500 -0.44200 1.000 C10 C 0.54800 2.02900 0.11700 1.000 C11 C 0.58600 3.41400 0.23800 1.000 C12 C -0.58600 4.15100 0.29200 1.000 C13 C -1.81400 3.52800 0.22600 1.000 C14 C -1.88300 2.14000 0.10400 1.000 C15 C -3.16900 1.43300 0.03100 1.000 O16 O -4.22500 2.03700 0.07300 1.000 N17 N -3.13500 0.08600 -0.08700 1.000 C18 C -1.94200 -0.57500 -0.13400 1.000 N19 N -1.95400 -1.94100 -0.25400 1.000 C20 C -0.69300 -2.67900 -0.36200 1.000 C21 C 0.39500 -2.00600 -1.20200 1.000 C22 C -0.24500 -3.49500 0.85200 1.000 C23 C -0.76900 -4.20600 -0.39700 1.000 N24 N -0.78500 0.03600 -0.07000 1.000 C25 C -0.69800 1.37500 0.04200 1.000 C26 C -4.38800 -0.67000 -0.16400 1.000 C27 C -4.92700 -0.91200 -1.57500 1.000 C28 C -5.40900 -0.46100 0.95600 1.000 C29 C -4.61600 -1.76800 0.87700 1.000 H30 H 7.30400 0.95600 -0.46200 1.000 H31 H 6.09800 2.24300 -0.70500 1.000 H32 H 6.16900 1.37100 0.84500 1.000 H33 H 5.41200 0.13500 -1.84800 1.000 H34 H 6.31400 -1.57400 -0.12900 1.000 H35 H 1.32000 -0.49800 1.27000 1.000 H36 H 3.05600 2.42800 -1.13000 1.000 H37 H 1.53900 3.92000 0.29000 1.000 H38 H -0.53700 5.22600 0.38600 1.000 H39 H -2.72100 4.11300 0.26900 1.000 H40 H -2.79800 -2.41900 -0.26700 1.000 H41 H 0.71500 -1.08600 -0.71200 1.000 H42 H 1.24600 -2.68000 -1.30100 1.000 H43 H -0.00100 -1.77200 -2.19000 1.000 H44 H 0.82400 -3.55300 1.05300 1.000 H45 H -0.88900 -3.48300 1.73100 1.000 H46 H -1.75700 -4.66300 -0.34000 1.000 H47 H -0.04300 -4.73200 -1.01800 1.000 H48 H -4.25100 -1.57600 -2.11400 1.000 H49 H -5.91400 -1.37100 -1.51400 1.000 H50 H -5.00100 0.03800 -2.10400 1.000 H51 H -5.14800 0.23800 1.75100 1.000 H52 H -6.46500 -0.49600 0.68800 1.000 H53 H -5.15100 -2.66200 0.55700 1.000 H54 H -3.83400 -1.92800 1.62000 1.000