# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '91W' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -3.94600 2.52200 -1.38400 1.000 C1 C -4.66800 2.58400 -0.15300 1.000 C2 C -6.16500 2.39900 -0.42200 1.000 C3 C -6.41500 1.02000 -1.03400 1.000 O4 O -7.78700 0.91100 -1.41800 1.000 C5 C -6.08500 -0.07000 -0.00900 1.000 C6 C -4.20600 1.47000 0.76600 1.000 C7 C -3.44600 1.71400 1.83400 1.000 C8 C -4.64200 0.10000 0.42100 1.000 C9 C -3.79500 -0.94800 0.48800 1.000 C10 C -2.40700 -0.74300 0.90900 1.000 C11 C -1.57100 -1.77900 0.97500 1.000 C12 C -0.14000 -1.63000 1.39800 1.000 C13 C -2.00100 -3.19800 0.63100 1.000 C14 C -1.02300 -3.83600 -0.35300 1.000 C15 C 0.43700 -3.65700 0.09600 1.000 C16 C 0.70500 -2.17000 0.21000 1.000 C17 C 0.23800 -1.47300 -1.07000 1.000 C18 C 2.11700 -1.71500 0.54300 1.000 C19 C 1.93700 -0.39800 1.34400 1.000 C20 C 0.39600 -0.20200 1.52100 1.000 C21 C 2.90800 -1.45200 -0.74000 1.000 C22 C 2.98000 -2.73800 -1.56700 1.000 C23 C 4.32300 -0.99600 -0.38300 1.000 C24 C 5.12800 -0.72800 -1.67000 1.000 C25 C 5.55500 0.75500 -1.54900 1.000 C26 C 5.43300 1.00500 -0.02400 1.000 O27 O 4.26800 0.23900 0.35100 1.000 C28 C 5.21600 2.49200 0.26200 1.000 C29 C 4.98900 2.69500 1.76200 1.000 O30 O 6.36900 3.23000 -0.14900 1.000 C31 C 3.99200 2.98700 -0.51100 1.000 H32 H -2.99000 2.62400 -1.28500 1.000 H33 H -4.49800 3.54900 0.32500 1.000 H34 H -6.71500 2.48400 0.51500 1.000 H35 H -6.50700 3.16900 -1.11400 1.000 H36 H -5.78200 0.89300 -1.91300 1.000 H37 H -8.01900 0.06100 -1.81500 1.000 H38 H -6.74000 0.02900 0.85600 1.000 H39 H -6.21900 -1.05300 -0.46200 1.000 H40 H -3.13300 0.90000 2.47100 1.000 H41 H -3.14300 2.72600 2.06100 1.000 H42 H -4.14100 -1.93900 0.23100 1.000 H43 H -2.06200 0.24700 1.16600 1.000 H44 H 0.05200 -2.19400 2.31100 1.000 H45 H -2.03300 -3.79400 1.54300 1.000 H46 H -2.99500 -3.17300 0.18400 1.000 H47 H -1.24100 -4.90100 -0.43600 1.000 H48 H -1.15400 -3.37100 -1.33000 1.000 H49 H 0.58600 -4.13000 1.06600 1.000 H50 H 1.10700 -4.10100 -0.64000 1.000 H51 H -0.82800 -1.65200 -1.21300 1.000 H52 H 0.41800 -0.40100 -0.98600 1.000 H53 H 0.79000 -1.86800 -1.92200 1.000 H54 H 2.62200 -2.46300 1.15300 1.000 H55 H 2.42200 -0.48300 2.31600 1.000 H56 H 2.35700 0.43900 0.78600 1.000 H57 H -0.00700 0.43100 0.73000 1.000 H58 H 0.16800 0.21300 2.50300 1.000 H59 H 2.41100 -0.67400 -1.32100 1.000 H60 H 1.97100 -3.06300 -1.82200 1.000 H61 H 3.54300 -2.55100 -2.48100 1.000 H62 H 3.47600 -3.51500 -0.98700 1.000 H63 H 4.82000 -1.76100 0.21300 1.000 H64 H 6.00500 -1.37500 -1.71300 1.000 H65 H 4.50200 -0.87700 -2.54900 1.000 H66 H 6.58300 0.89200 -1.88500 1.000 H67 H 4.87600 1.40100 -2.10500 1.000 H68 H 6.31800 0.63800 0.49600 1.000 H69 H 4.83400 3.75400 1.96600 1.000 H70 H 4.10900 2.13200 2.07500 1.000 H71 H 5.86100 2.34200 2.31200 1.000 H72 H 7.18400 2.96800 0.30100 1.000 H73 H 4.15400 2.84200 -1.57900 1.000 H74 H 3.11300 2.42400 -0.19800 1.000 H75 H 3.83700 4.04600 -0.30700 1.000