# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9BK' 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 -6.97700 4.39200 -0.48400 1.000 C1 C -7.18900 2.94100 -0.13500 1.000 O2 O -7.93100 2.25800 -0.80900 1.000 N3 N -6.55500 2.40300 0.92500 1.000 C4 C -6.84200 1.02400 1.32800 1.000 C5 C -8.29500 0.67300 1.65800 1.000 C6 C -7.26100 0.78600 2.78000 1.000 C7 C -6.00400 -0.03600 0.66300 1.000 O8 O -6.48900 -1.11600 0.39800 1.000 N9 N -4.71400 0.21400 0.36100 1.000 C10 C -3.88300 -0.83500 -0.23300 1.000 C11 C -4.08300 -0.84600 -1.75000 1.000 C12 C -5.53300 -1.21300 -2.07100 1.000 C13 C -3.77100 0.54100 -2.31500 1.000 C14 C -3.14400 -1.87700 -2.38100 1.000 C15 C -2.43400 -0.56700 0.08100 1.000 O16 O -2.04400 0.57300 0.21800 1.000 N17 N -1.57100 -1.59400 0.21000 1.000 C18 C -1.89100 -3.01700 -0.00500 1.000 C19 C -0.84000 -3.79000 0.83000 1.000 O20 O -1.21700 -3.84200 2.20700 1.000 C21 C 0.42300 -2.91100 0.63200 1.000 C22 C -0.15300 -1.48100 0.58100 1.000 C23 C 0.58900 -0.66500 -0.44500 1.000 O24 O -0.00300 -0.20600 -1.39900 1.000 N25 N 1.91200 -0.44600 -0.30400 1.000 C26 C 2.63300 0.34700 -1.30200 1.000 C27 C 4.08600 0.44200 -0.91400 1.000 C28 C 4.98200 -0.51300 -1.36100 1.000 C29 C 6.31400 -0.43200 -1.00900 1.000 C30 C 4.51900 1.48600 -0.11600 1.000 C31 C 5.84900 1.57900 0.24200 1.000 C32 C 6.75600 0.61600 -0.20000 1.000 C33 C 8.18200 0.70900 0.18100 1.000 S34 S 9.56000 0.53500 -0.90400 1.000 C35 C 10.63300 0.79000 0.40300 1.000 N36 N 9.97200 0.97600 1.49700 1.000 C37 C 8.66000 0.94700 1.42100 1.000 C38 C 7.76700 1.14900 2.61800 1.000 H39 H -7.71400 5.00200 0.03600 1.000 H40 H -5.97500 4.69500 -0.18100 1.000 H41 H -7.08800 4.52700 -1.56000 1.000 H42 H -5.90700 2.92800 1.42000 1.000 H43 H -9.03600 1.46800 1.57400 1.000 H44 H -8.64400 -0.32500 1.39300 1.000 H45 H -6.93000 -0.13800 3.25500 1.000 H46 H -7.32300 1.65500 3.43500 1.000 H47 H -4.33700 1.09000 0.53800 1.000 H48 H -4.17100 -1.80300 0.17800 1.000 H49 H -6.20200 -0.47900 -1.62200 1.000 H50 H -5.67500 -1.22000 -3.15200 1.000 H51 H -5.75500 -2.20100 -1.66800 1.000 H52 H -2.73800 0.80300 -2.08600 1.000 H53 H -3.91300 0.53400 -3.39600 1.000 H54 H -4.43900 1.27600 -1.86600 1.000 H55 H -3.40900 -2.87300 -2.02700 1.000 H56 H -3.24000 -1.83900 -3.46600 1.000 H57 H -2.11600 -1.65200 -2.09800 1.000 H58 H -2.89700 -3.23800 0.35200 1.000 H59 H -1.80000 -3.27100 -1.06100 1.000 H60 H -0.68500 -4.79300 0.43200 1.000 H61 H -2.05400 -4.29800 2.36900 1.000 H62 H 1.11000 -3.02100 1.47100 1.000 H63 H 0.91700 -3.16200 -0.30700 1.000 H64 H -0.06800 -1.01200 1.56200 1.000 H65 H 2.38500 -0.81300 0.45800 1.000 H66 H 2.54800 -0.13200 -2.27800 1.000 H67 H 2.20400 1.34800 -1.35100 1.000 H68 H 4.63900 -1.32300 -1.98700 1.000 H69 H 7.01200 -1.17800 -1.35900 1.000 H70 H 3.81600 2.23000 0.22700 1.000 H71 H 6.18500 2.39400 0.86500 1.000 H72 H 11.71000 0.79300 0.32500 1.000 H73 H 7.46300 2.19400 2.67200 1.000 H74 H 6.88300 0.51800 2.52200 1.000 H75 H 8.30800 0.88100 3.52500 1.000