# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9MX' 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 -4.55100 -1.48900 -0.40300 1.000 C1 C -5.96800 -1.03600 -0.04400 1.000 C2 C -6.22600 0.35300 -0.63700 1.000 C3 C -6.98300 -2.02800 -0.61700 1.000 N4 N -7.62900 0.71700 -0.39600 1.000 C5 C -8.39800 -1.59300 -0.23100 1.000 C6 C -8.68400 -0.21100 -0.82600 1.000 C7 C -7.94800 1.90300 0.22200 1.000 N8 N -7.01200 2.76700 0.49700 1.000 N9 N -9.25500 2.17800 0.54900 1.000 N10 N 0.40500 -1.68900 0.93500 1.000 C11 C 0.16100 -0.35900 0.37200 1.000 C12 C 1.15900 0.61700 0.93800 1.000 O13 O 1.60000 0.45300 2.05600 1.000 C14 C -1.25600 0.09500 0.73100 1.000 C15 C -2.25800 -0.81500 0.06700 1.000 O16 O -1.87600 -1.73500 -0.62500 1.000 N17 N -3.57800 -0.60500 0.24300 1.000 S18 S 1.34200 -2.77800 0.11000 1.000 O19 O 1.41400 -3.94100 0.92300 1.000 O20 O 0.85900 -2.79200 -1.22600 1.000 C21 C 3.32900 -1.31500 -0.99800 1.000 C22 C 2.97300 -2.11600 0.04300 1.000 C23 C 3.87800 -2.41600 1.06000 1.000 C24 C 5.14600 -1.92000 1.03900 1.000 C25 C 6.85200 -0.56500 -0.08000 1.000 C26 C 7.20800 0.23500 -1.12200 1.000 C27 C 6.30200 0.54000 -2.13500 1.000 C28 C 5.03400 0.04500 -2.11400 1.000 C29 C 4.63000 -0.78500 -1.05500 1.000 C30 C 5.55200 -1.09500 -0.02300 1.000 N31 N 1.56200 1.67200 0.20300 1.000 C32 C 2.57500 2.60200 0.72000 1.000 C33 C 3.70600 2.72100 -0.30600 1.000 C34 C 3.11500 3.12100 -1.66500 1.000 C35 C 2.13700 2.04300 -2.13900 1.000 C36 C 0.99300 1.91800 -1.12900 1.000 C37 C 3.12700 2.07600 2.02000 1.000 O38 O 3.49200 0.92700 2.10100 1.000 O39 O 3.21300 2.88400 3.08900 1.000 C40 C 2.36900 4.45000 -1.52600 1.000 H41 H -4.42000 -1.44800 -1.48400 1.000 H42 H -4.39900 -2.51200 -0.05700 1.000 H43 H -6.07300 -0.99300 1.04000 1.000 H44 H -5.57200 1.08200 -0.15900 1.000 H45 H -6.03300 0.33300 -1.71000 1.000 H46 H -6.89400 -2.05100 -1.70300 1.000 H47 H -6.78600 -3.02200 -0.21500 1.000 H48 H -9.11900 -2.31200 -0.62000 1.000 H49 H -8.48100 -1.54500 0.85500 1.000 H50 H -9.65100 0.14700 -0.47300 1.000 H51 H -8.69100 -0.27600 -1.91400 1.000 H52 H -7.23800 3.60400 0.93300 1.000 H53 H -9.94000 1.50300 0.41800 1.000 H54 H -9.49200 3.04600 0.91100 1.000 H55 H 0.01700 -1.93300 1.79000 1.000 H56 H 0.26600 -0.39800 -0.71200 1.000 H57 H -1.38800 0.05300 1.81200 1.000 H58 H -1.40800 1.11700 0.38500 1.000 H59 H -3.88200 0.13100 0.79600 1.000 H60 H 2.61600 -1.08800 -1.77600 1.000 H61 H 3.56900 -3.05000 1.87700 1.000 H62 H 5.83600 -2.16100 1.83400 1.000 H63 H 7.56500 -0.79300 0.69800 1.000 H64 H 8.20800 0.64100 -1.16300 1.000 H65 H 6.61000 1.17800 -2.95100 1.000 H66 H 4.34200 0.29000 -2.90600 1.000 H67 H 2.12300 3.58000 0.88500 1.000 H68 H 4.21200 1.76000 -0.39800 1.000 H69 H 4.41900 3.48000 0.01700 1.000 H70 H 3.91900 3.23000 -2.39300 1.000 H71 H 2.65800 1.08900 -2.21900 1.000 H72 H 1.73400 2.32000 -3.11300 1.000 H73 H 0.34700 1.08500 -1.40900 1.000 H74 H 0.41300 2.84100 -1.11400 1.000 H75 H 3.57400 2.50200 3.90100 1.000 H76 H 3.06100 5.22100 -1.19000 1.000 H77 H 1.94900 4.73300 -2.49100 1.000 H78 H 1.56500 4.34000 -0.79800 1.000