# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9HU' 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 -6.92100 0.48100 0.26100 1.000 C1 C -6.53100 1.70900 -0.24200 1.000 C2 C -5.19400 1.97800 -0.47800 1.000 C3 C -4.23500 1.00700 -0.20900 1.000 C4 C -4.63200 -0.24200 0.30300 1.000 C5 C -5.97900 -0.49400 0.54000 1.000 C6 C -2.80200 1.27200 -0.46300 1.000 C7 C -1.85100 0.14200 -0.46900 1.000 C8 C -2.25000 -1.10900 0.04700 1.000 C9 C -3.61100 -1.27400 0.59000 1.000 C10 C -0.57100 0.30200 -0.98400 1.000 C11 C 0.31600 -0.77200 -0.99000 1.000 C12 C -0.07200 -2.00800 -0.48100 1.000 C13 C -1.35300 -2.18100 0.04500 1.000 O14 O -3.89200 -2.25100 1.25800 1.000 O15 O -2.41300 2.40500 -0.66600 1.000 O16 O -1.72900 -3.38600 0.54000 1.000 O17 O 0.80100 -3.04900 -0.49200 1.000 N18 N 1.59700 -0.61000 -1.51400 1.000 S19 S 2.39900 0.82500 -1.31100 1.000 O20 O 1.53300 1.84100 -1.79700 1.000 C21 C 2.55800 1.09300 0.42300 1.000 O22 O 3.71500 0.62300 -1.80900 1.000 C23 C 3.30500 0.21600 1.19500 1.000 C24 C 3.42900 0.43000 2.56000 1.000 C25 C 2.80800 1.51500 3.14700 1.000 C26 C 2.06400 2.38800 2.37500 1.000 C27 C 1.94400 2.18100 1.01300 1.000 O28 O 3.91500 -0.85200 0.61600 1.000 C29 C 5.12800 -0.64400 0.07900 1.000 C30 C 5.81600 -1.75000 -0.68000 1.000 O31 O 5.66700 0.43000 0.20300 1.000 H32 H -7.96700 0.28300 0.44100 1.000 H33 H -7.27500 2.46300 -0.45100 1.000 H34 H -4.89600 2.93900 -0.87100 1.000 H35 H -6.29000 -1.45100 0.93300 1.000 H36 H -0.26300 1.25800 -1.38000 1.000 H37 H -1.54200 -3.50000 1.48200 1.000 H38 H 1.34600 -3.11300 0.30400 1.000 H39 H 2.01900 -1.33700 -1.99700 1.000 H40 H 4.00900 -0.25200 3.16400 1.000 H41 H 2.90300 1.68200 4.21000 1.000 H42 H 1.57900 3.23600 2.83500 1.000 H43 H 1.36600 2.86600 0.41200 1.000 H44 H 5.61300 -1.64100 -1.74500 1.000 H45 H 6.89100 -1.69400 -0.50700 1.000 H46 H 5.44200 -2.71400 -0.33500 1.000