# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '095' 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 -3.96200 2.67600 0.74500 1.000 C1 C -5.05900 2.43000 -0.06100 1.000 C2 C -2.96800 1.72200 0.86600 1.000 C3 C -5.16900 1.23500 -0.74100 1.000 C4 C -3.07200 0.52900 0.18500 1.000 C5 C -4.17600 0.26600 -0.62000 1.000 C6 C -2.92100 -1.62200 -0.83700 1.000 C7 C 1.50500 -0.55000 0.54200 1.000 C8 C 4.51600 0.38900 1.00800 1.000 C9 C 4.17200 0.95100 -1.39800 1.000 C10 C -0.80100 -0.33900 -0.44000 1.000 C11 C -1.97700 -1.32800 1.47000 1.000 C12 C 5.98600 0.11300 0.68300 1.000 C13 C 5.65500 0.65300 -1.63000 1.000 C14 C 0.05500 -0.28100 0.85300 1.000 C15 C 3.66400 0.09800 -0.23200 1.000 C16 C -2.19800 -0.69000 0.09600 1.000 N17 N -4.05700 -0.99700 -1.20500 1.000 N18 N -0.51200 -1.37100 1.68900 1.000 O19 O -2.55500 -2.72400 -1.18800 1.000 O20 O 1.97200 -1.64600 0.74100 1.000 O21 O 6.38600 0.91500 -0.43100 1.000 O22 O 2.27700 0.42900 0.04400 1.000 H23 H -3.88000 3.61400 1.27500 1.000 H24 H -5.83300 3.17700 -0.15900 1.000 H25 H -2.11100 1.91200 1.49500 1.000 H26 H -6.02800 1.04900 -1.36800 1.000 H27 H 4.19700 -0.25400 1.82800 1.000 H28 H 4.39700 1.43400 1.29600 1.000 H29 H 4.04500 2.00700 -1.16000 1.000 H30 H 3.60700 0.71000 -2.29900 1.000 H31 H -0.81200 0.63000 -0.94000 1.000 H32 H -0.43900 -1.11600 -1.11300 1.000 H33 H -2.45300 -0.72500 2.24300 1.000 H34 H -2.38600 -2.33900 1.48200 1.000 H35 H 6.60200 0.35900 1.54800 1.000 H36 H 6.11200 -0.94100 0.43500 1.000 H37 H 5.77700 -0.39400 -1.90800 1.000 H38 H 6.03300 1.28800 -2.43200 1.000 H39 H -0.05800 0.68400 1.34600 1.000 H40 H 3.74400 -0.95800 -0.49000 1.000 H41 H -4.71600 -1.38100 -1.80400 1.000 H42 H -0.13200 -2.26700 1.42200 1.000