# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CYJ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 6.01500 -4.75100 -2.68100 1.000 C1 C 6.37600 -3.86300 -1.91900 1.000 O2 O 7.67800 -3.58800 -1.66100 1.000 C3 C 5.42600 -2.94400 -1.19200 1.000 C4 C 3.97300 -3.33300 -1.42100 1.000 C5 C 2.99700 -2.40900 -0.69200 1.000 C6 C 1.54400 -2.83400 -0.96600 1.000 N7 N 0.60300 -1.99700 -0.21600 1.000 C8 C 0.68800 -0.59500 -0.60900 1.000 C9 C 3.23100 -0.91800 -1.01500 1.000 C10 C 3.30000 -0.57800 -2.50300 1.000 C11 C 3.54900 0.88800 -2.72700 1.000 O12 O 4.23100 1.06400 -3.88800 1.000 O13 O 3.20400 1.80400 -1.99600 1.000 C14 C 2.10300 -0.12700 -0.37800 1.000 N15 N 2.32500 0.94400 0.31300 1.000 C16 C 3.73200 1.28300 0.45700 1.000 C17 C 3.87900 2.52500 1.33100 1.000 C18 C 3.19200 3.75300 0.72300 1.000 C19 C 3.34900 4.97900 1.63500 1.000 C20 C 2.64000 6.24400 1.13000 1.000 N21 N 1.20100 6.02900 0.98000 1.000 C22 C 3.19000 6.71500 -0.20200 1.000 O23 O 2.56300 6.82700 -1.24600 1.000 O24 O 4.50800 7.02500 -0.08800 1.000 H25 H 8.32900 -4.15200 -2.12900 1.000 H26 H 5.61300 -1.90000 -1.46700 1.000 H27 H 5.66400 -3.02000 -0.12400 1.000 H28 H 3.81500 -4.35300 -1.05700 1.000 H29 H 3.73500 -3.32600 -2.48800 1.000 H30 H 3.18100 -2.54600 0.38300 1.000 H31 H 1.31600 -2.79100 -2.03800 1.000 H32 H 1.40100 -3.87700 -0.65800 1.000 H33 H 0.79600 -2.08200 0.78200 1.000 H34 H -0.00800 0.00100 -0.01000 1.000 H35 H 0.42600 -0.46100 -1.66400 1.000 H36 H 4.17700 -0.60200 -0.55800 1.000 H37 H 4.11300 -1.14900 -2.95800 1.000 H38 H 2.35300 -0.85200 -2.97200 1.000 H39 H 4.41100 2.01200 -4.06500 1.000 H40 H 4.17500 1.44500 -0.53100 1.000 H41 H 4.25100 0.44000 0.92400 1.000 H42 H 4.94700 2.73700 1.45900 1.000 H43 H 3.46600 2.32700 2.32700 1.000 H44 H 2.12900 3.53900 0.56700 1.000 H45 H 3.63000 3.96100 -0.26000 1.000 H46 H 4.41800 5.19200 1.76000 1.000 H47 H 2.96600 4.73100 2.63400 1.000 H48 H 2.78400 7.05600 1.85300 1.000 H49 H 0.85500 5.79700 0.07500 1.000 H50 H 0.60600 6.31800 1.72500 1.000 H51 H 4.88300 7.34400 -0.93700 1.000