# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '93X' 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 -1.51500 -4.00200 1.10600 1.000 O1 O -1.77700 -5.20500 0.38100 1.000 C2 C -1.33600 -2.84300 0.12200 1.000 C3 C 0.06800 -2.73400 -0.42100 1.000 O4 O 0.78100 -3.42100 -1.12100 1.000 N5 N 0.18800 -1.54300 0.20400 1.000 C6 C 1.25700 -0.63900 0.25600 1.000 C7 C 2.43900 -0.92200 -0.41400 1.000 C8 C 3.49700 -0.02800 -0.36300 1.000 O9 O 4.65400 -0.30600 -1.02100 1.000 C10 C 4.71000 -1.53700 -1.74500 1.000 C11 C 3.37400 1.15200 0.35900 1.000 O12 O 4.41300 2.03100 0.41000 1.000 C13 C 4.46000 3.03800 -0.60300 1.000 C14 C 2.19100 1.43500 1.03100 1.000 O15 O 2.06900 2.59000 1.73800 1.000 C16 C 0.82500 2.81600 2.40400 1.000 C17 C 1.13200 0.54300 0.97400 1.000 C18 C -1.14700 -1.48800 0.81100 1.000 C19 C -2.02600 -0.39200 0.26600 1.000 C20 C -3.18200 -0.03800 0.93700 1.000 C21 C -3.99200 0.96900 0.43800 1.000 O22 O -5.12900 1.31900 1.09700 1.000 C23 C -3.63900 1.62300 -0.73900 1.000 O24 O -4.43100 2.61200 -1.23300 1.000 C25 C -4.00600 3.23900 -2.44500 1.000 C26 C -2.47900 1.26300 -1.40600 1.000 C27 C -1.67300 0.26100 -0.90000 1.000 H28 H -2.35300 -3.78800 1.77000 1.000 H29 H -0.60600 -4.12200 1.69400 1.000 H30 H -1.90100 -5.98300 0.94300 1.000 H31 H -2.10100 -2.83200 -0.65500 1.000 H32 H 2.53400 -1.84000 -0.97600 1.000 H33 H 4.55600 -2.36900 -1.05800 1.000 H34 H 3.93100 -1.54600 -2.50700 1.000 H35 H 5.68500 -1.63500 -2.22100 1.000 H36 H 5.33400 3.67000 -0.44700 1.000 H37 H 4.52300 2.56600 -1.58300 1.000 H38 H 3.55700 3.64800 -0.55200 1.000 H39 H 0.86200 3.77000 2.92900 1.000 H40 H 0.01900 2.83600 1.67000 1.000 H41 H 0.64500 2.01400 3.11900 1.000 H42 H 0.21000 0.76400 1.49200 1.000 H43 H -1.14400 -1.53800 1.90000 1.000 H44 H -3.45400 -0.54700 1.85000 1.000 H45 H -5.00400 2.01700 1.75400 1.000 H46 H -3.94200 2.49200 -3.23700 1.000 H47 H -4.72400 4.00800 -2.72800 1.000 H48 H -3.02700 3.69400 -2.29500 1.000 H49 H -2.20300 1.76800 -2.32000 1.000 H50 H -0.76700 -0.01500 -1.41800 1.000