# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9YB' 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 -6.41000 -0.41500 -1.36000 1.000 C1 C -5.08900 -0.37500 -1.80000 1.000 C2 C -5.94400 1.32900 0.22000 1.000 C3 C -4.60000 1.36200 -0.22700 1.000 C4 C -6.35200 2.20200 1.24100 1.000 C5 C -5.45400 3.06700 1.78700 1.000 C6 C -4.13200 3.10000 1.34800 1.000 C7 C -3.70100 2.26800 0.36000 1.000 C8 C -4.19200 0.49100 -1.25200 1.000 C9 C -2.76800 0.51500 -1.74400 1.000 C10 C -6.84500 0.41900 -0.36900 1.000 C11 C -8.99100 -0.57600 -0.60000 1.000 O12 O -8.13800 0.37100 0.04500 1.000 N13 N -1.91700 -0.24100 -0.81500 1.000 C14 C -0.48900 -0.04300 -1.12700 1.000 C15 C 0.31600 -0.93300 -0.22100 1.000 C16 C -2.27500 -1.66600 -0.81300 1.000 C17 C -1.66300 -2.35500 0.41500 1.000 C18 C -0.20600 -1.97300 0.47900 1.000 N19 N 0.79700 -2.52700 1.17500 1.000 C20 C 0.66200 -3.68100 2.06800 1.000 C21 C 0.89200 -4.96900 1.27500 1.000 O22 O 0.76100 -6.09400 2.14600 1.000 N23 N 1.89600 -1.89500 0.94300 1.000 C24 C 1.68300 -0.90400 0.09500 1.000 C25 C 2.68700 0.05000 -0.41900 1.000 O26 O 2.35400 0.92200 -1.19900 1.000 N27 N 3.97200 -0.04600 -0.02400 1.000 C28 C 4.98800 0.82700 -0.61600 1.000 C29 C 6.35500 0.14600 -0.53600 1.000 C30 C 6.35400 -1.08700 -1.40300 1.000 O31 O 5.33800 -1.43500 -1.95700 1.000 O32 O 7.48200 -1.79800 -1.55900 1.000 C33 C 5.03100 2.13100 0.13900 1.000 C34 C 4.92000 2.13600 1.51600 1.000 C35 C 4.96000 3.33200 2.20900 1.000 C36 C 5.11000 4.52300 1.52300 1.000 C37 C 5.22200 4.51800 0.14500 1.000 C38 C 5.18700 3.32100 -0.54700 1.000 H39 H -7.10000 -1.11200 -1.81200 1.000 H40 H -4.77100 -1.04200 -2.58700 1.000 H41 H -7.37400 2.18800 1.59100 1.000 H42 H -5.77000 3.73700 2.57200 1.000 H43 H -3.43900 3.79600 1.79700 1.000 H44 H -2.67300 2.30500 0.03000 1.000 H45 H -2.71700 0.06200 -2.73400 1.000 H46 H -2.42000 1.54700 -1.79800 1.000 H47 H -9.03300 -0.36000 -1.66700 1.000 H48 H -8.59800 -1.58200 -0.44800 1.000 H49 H -9.99300 -0.51000 -0.17600 1.000 H50 H -0.30000 -0.31000 -2.16700 1.000 H51 H -0.21700 0.99800 -0.95800 1.000 H52 H -3.36000 -1.76600 -0.78200 1.000 H53 H -1.89400 -2.13600 -1.72000 1.000 H54 H -2.17200 -2.01900 1.31800 1.000 H55 H -1.75800 -3.43600 0.31700 1.000 H56 H 1.40000 -3.61000 2.86700 1.000 H57 H -0.33900 -3.69300 2.49800 1.000 H58 H 0.15400 -5.04000 0.47600 1.000 H59 H 1.89300 -4.95700 0.84500 1.000 H60 H 0.89400 -6.94700 1.71000 1.000 H61 H 4.22400 -0.69400 0.65300 1.000 H62 H 4.73800 1.02000 -1.66000 1.000 H63 H 7.12500 0.83500 -0.88500 1.000 H64 H 6.56100 -0.13600 0.49600 1.000 H65 H 7.43100 -2.58100 -2.12500 1.000 H66 H 4.80200 1.20600 2.05200 1.000 H67 H 4.87200 3.33600 3.28500 1.000 H68 H 5.14100 5.45700 2.06400 1.000 H69 H 5.33900 5.44800 -0.39100 1.000 H70 H 5.27800 3.31700 -1.62300 1.000