# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '053' 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 -1.05500 2.36000 -0.33600 1.000 C1 C -0.92000 2.70800 -1.67500 1.000 C2 C -1.52800 3.88000 -2.13400 1.000 C3 C -2.23600 4.65900 -1.28000 1.000 N4 N -2.37100 4.32500 0.02700 1.000 C5 C -1.80600 3.20600 0.52000 1.000 C6 C 3.19900 -1.30900 0.59200 1.000 C7 C 4.12100 -0.44700 0.02700 1.000 C8 C 4.95900 -0.91700 -0.97900 1.000 N9 N 4.87800 -2.17200 -1.39200 1.000 C10 C 4.00800 -3.01700 -0.87100 1.000 C11 C 3.15000 -2.61900 0.13500 1.000 C12 C -2.57500 -2.03400 0.07100 1.000 C13 C -1.62700 -2.88300 0.62700 1.000 C14 C -0.39000 -2.40700 1.00000 1.000 C15 C -2.29300 -0.71100 -0.12100 1.000 C16 C -1.04500 -0.20600 0.25000 1.000 C17 C -0.08200 -1.06000 0.81900 1.000 N18 N 1.04200 -0.31500 1.08900 1.000 C19 C 0.84000 1.00100 0.71800 1.000 C20 C -0.43300 1.12700 0.18400 1.000 C21 C 1.81500 2.08200 0.85500 1.000 O22 O 1.53000 3.20800 0.49400 1.000 C23 C 2.27300 -0.84000 1.68500 1.000 C24 C -3.92200 -2.57800 -0.33000 1.000 O25 O 3.03100 1.83100 1.38400 1.000 F26 F -3.97600 -3.94600 -0.04600 1.000 F27 F -4.92400 -1.91300 0.38400 1.000 F28 F -4.11600 -2.37800 -1.70100 1.000 O29 O -1.93900 2.92100 1.69800 1.000 N30 N 5.88900 -0.06000 -1.55600 1.000 H31 H -0.35400 2.08300 -2.35000 1.000 H32 H -1.43300 4.16500 -3.17200 1.000 H33 H -2.70000 5.56300 -1.64800 1.000 H34 H -2.88300 4.90000 0.61700 1.000 H35 H 4.18800 0.57800 0.36100 1.000 H36 H 3.97000 -4.03400 -1.23300 1.000 H37 H 2.44200 -3.31800 0.55500 1.000 H38 H -1.86300 -3.92700 0.76900 1.000 H39 H 0.33900 -3.07500 1.43300 1.000 H40 H -3.03300 -0.05800 -0.55800 1.000 H41 H 2.03200 -1.67600 2.34100 1.000 H42 H 2.76100 -0.05400 2.26200 1.000 H43 H 3.60600 2.60700 1.43400 1.000 H44 H 5.95200 0.86000 -1.25800 1.000 H45 H 6.47600 -0.38400 -2.25800 1.000