# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BX' 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 -6.34600 2.97600 -0.73400 1.000 C1 C -5.75900 2.14700 0.41000 1.000 C2 C -5.10700 3.07900 1.43300 1.000 O3 O -6.80100 1.40100 1.04200 1.000 C4 C -4.72300 1.19900 -0.13700 1.000 O5 O -4.08300 1.50200 -1.12400 1.000 C6 C -4.49700 -0.03800 0.49500 1.000 C7 C -3.56500 -0.89200 0.00200 1.000 C8 C -3.33000 -2.17600 0.65900 1.000 C9 C -4.02800 -2.49800 1.95500 1.000 C10 C -2.49700 -3.06500 0.11000 1.000 C11 C -1.65800 -2.67600 -1.08000 1.000 C12 C -0.18900 -2.99500 -0.79400 1.000 C13 C 0.65100 -2.60600 -1.98300 1.000 C14 C 0.85700 -3.58300 -3.11200 1.000 C15 C 1.20100 -1.41800 -2.03600 1.000 C16 C 0.88400 -0.39300 -0.97800 1.000 C17 C 2.16300 0.07200 -0.33000 1.000 C18 C 2.65700 -0.59000 0.78000 1.000 O19 O 1.99400 -1.65800 1.28900 1.000 C20 C 3.85100 -0.14800 1.37800 1.000 C21 C 4.38500 -0.84000 2.55400 1.000 O22 O 3.85000 -1.85200 2.95700 1.000 C23 C 4.52800 0.95700 0.84400 1.000 C24 C 5.80800 1.43600 1.47900 1.000 C25 C 4.02900 1.59900 -0.25200 1.000 Cl26 Cl 4.87200 2.96600 -0.91000 1.000 C27 C 2.84800 1.16100 -0.85000 1.000 O28 O 2.36500 1.80400 -1.94200 1.000 H29 H -5.55100 3.54600 -1.21600 1.000 H30 H -6.81100 2.31200 -1.46200 1.000 H31 H -7.09500 3.66200 -0.33800 1.000 H32 H -5.85600 3.76500 1.82900 1.000 H33 H -4.68800 2.48900 2.24800 1.000 H34 H -4.31200 3.64800 0.95100 1.000 H35 H -7.25900 0.78800 0.45100 1.000 H36 H -5.06600 -0.30800 1.37300 1.000 H37 H -2.99600 -0.62300 -0.87600 1.000 H38 H -4.97900 -2.98700 1.74400 1.000 H39 H -3.40200 -3.16400 2.54900 1.000 H40 H -4.20700 -1.57700 2.50900 1.000 H41 H -2.42500 -4.06200 0.51800 1.000 H42 H -1.98700 -3.23500 -1.95600 1.000 H43 H -1.76800 -1.60800 -1.26900 1.000 H44 H 0.14000 -2.43500 0.08200 1.000 H45 H -0.07900 -4.06200 -0.60500 1.000 H46 H 0.07000 -3.45200 -3.85400 1.000 H47 H 1.82700 -3.40300 -3.57500 1.000 H48 H 0.82300 -4.60000 -2.72200 1.000 H49 H 1.88200 -1.17400 -2.83800 1.000 H50 H 0.37900 0.45800 -1.43600 1.000 H51 H 0.23500 -0.83800 -0.22400 1.000 H52 H 2.26400 -2.50500 0.91000 1.000 H53 H 5.25400 -0.44900 3.06200 1.000 H54 H 6.65600 0.94300 1.00400 1.000 H55 H 5.89600 2.51400 1.35000 1.000 H56 H 5.79700 1.19600 2.54200 1.000 H57 H 1.76300 2.53200 -1.73600 1.000