# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0RX' 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 0.29300 -0.11700 0.80900 1.000 C1 C 0.66700 0.92600 0.31100 1.000 C2 C 2.10500 1.14000 0.03000 1.000 C3 C 3.04700 0.15500 0.33000 1.000 C4 C 4.38800 0.39900 0.04800 1.000 N5 N 5.33900 -0.57200 0.34000 1.000 C6 C 6.68700 -0.11800 -0.03300 1.000 C7 C 7.70700 -1.19000 0.36000 1.000 O8 O 7.35900 -2.42600 -0.26900 1.000 C9 C 6.05200 -2.89800 0.07200 1.000 C10 C 5.01500 -1.84400 -0.32300 1.000 N11 N 4.76700 1.54400 -0.49500 1.000 C12 C 3.90400 2.49600 -0.79100 1.000 C13 C 2.55500 2.33300 -0.54900 1.000 N14 N -0.22900 1.88700 0.00900 1.000 C15 C -1.60000 1.62600 0.11900 1.000 C16 C -2.05800 0.70000 1.04600 1.000 C17 C -3.41100 0.44300 1.15500 1.000 C18 C -4.31100 1.11000 0.33600 1.000 C19 C -3.85400 2.03500 -0.59100 1.000 C20 C -2.50200 2.29700 -0.69600 1.000 O21 O -5.64300 0.85600 0.44300 1.000 C22 C -6.08800 -0.37400 0.08200 1.000 C23 C -5.20200 -1.35000 -0.37000 1.000 C24 C -5.69400 -2.58900 -0.72700 1.000 N25 N -6.98400 -2.85400 -0.64300 1.000 C26 C -7.85400 -1.95600 -0.21900 1.000 C27 C -7.44000 -0.69600 0.16100 1.000 H28 H 2.74100 -0.78000 0.77300 1.000 H29 H 6.73000 0.04800 -1.10900 1.000 H30 H 6.91600 0.81100 0.49000 1.000 H31 H 8.70100 -0.88300 0.03400 1.000 H32 H 7.70200 -1.31800 1.44200 1.000 H33 H 5.84900 -3.82600 -0.46100 1.000 H34 H 5.99900 -3.07700 1.14600 1.000 H35 H 4.02400 -2.17400 -0.01300 1.000 H36 H 5.03200 -1.70400 -1.40400 1.000 H37 H 4.25700 3.41600 -1.23400 1.000 H38 H 1.85600 3.11700 -0.79900 1.000 H39 H 0.07700 2.76000 -0.28400 1.000 H40 H -1.35700 0.18100 1.68300 1.000 H41 H -3.76700 -0.27700 1.87600 1.000 H42 H -4.55500 2.55400 -1.22800 1.000 H43 H -2.14600 3.01700 -1.41800 1.000 H44 H -4.14500 -1.13900 -0.44200 1.000 H45 H -5.01500 -3.35100 -1.07900 1.000 H46 H -8.90100 -2.21300 -0.16500 1.000 H47 H -8.15800 0.03400 0.50700 1.000