# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90O' 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 -1.36300 3.91500 -1.07600 1.000 C1 C -1.01400 2.77200 -0.51800 1.000 C2 C -1.94200 1.85900 0.20900 1.000 C3 C -3.41400 2.27900 0.04200 1.000 C4 C -3.52200 3.80400 0.13200 1.000 O5 O 8.80900 -2.13200 1.88800 1.000 C6 C 8.27600 -1.56600 0.68900 1.000 C7 C 6.89900 -0.96400 0.97800 1.000 C8 C 6.32800 -0.35800 -0.30500 1.000 C9 C 4.95200 0.24400 -0.01600 1.000 C10 C 4.43000 0.96100 -1.26800 1.000 O11 O 5.41500 1.88400 -1.73800 1.000 C12 C 3.15200 1.71700 -0.89700 1.000 C13 C 3.97000 -0.87000 0.35000 1.000 O14 O 4.05200 -1.91300 -0.62300 1.000 C15 C 2.56800 -0.33300 0.38600 1.000 C16 C 2.20700 0.80800 -0.16900 1.000 C17 C 0.80200 1.21000 -0.06700 1.000 C18 C 0.39100 2.37000 -0.62000 1.000 C19 C -1.71200 1.94800 1.73300 1.000 C20 C -3.04200 1.46000 2.34500 1.000 C21 C -4.12400 1.67300 1.27300 1.000 C22 C -4.00300 1.74000 -1.26300 1.000 C23 C -2.77100 4.43900 -1.03500 1.000 C24 C -4.76400 0.33400 0.90100 1.000 C25 C -5.60000 -0.17600 2.07700 1.000 C26 C -3.66800 -0.68300 0.57600 1.000 C27 C -4.30700 -1.97800 0.07000 1.000 C28 C -3.21000 -2.99400 -0.25500 1.000 C29 C -3.84900 -4.28900 -0.76200 1.000 O30 O -4.51300 -4.04000 -2.00200 1.000 C31 C -2.76300 -5.34700 -0.96800 1.000 C32 C -4.86300 -4.79300 0.26700 1.000 H33 H -0.60700 4.49900 -1.57900 1.000 H34 H -1.79600 0.83400 -0.13100 1.000 H35 H -4.57100 4.09700 0.09200 1.000 H36 H -3.08500 4.14500 1.07000 1.000 H37 H 9.68200 -2.53300 1.77900 1.000 H38 H 8.94500 -0.78600 0.32600 1.000 H39 H 8.18000 -2.34400 -0.06800 1.000 H40 H 6.23000 -1.74400 1.34100 1.000 H41 H 6.99500 -0.18600 1.73600 1.000 H42 H 6.99700 0.42200 -0.66800 1.000 H43 H 6.23200 -1.13600 -1.06300 1.000 H44 H 5.02800 0.95400 0.80700 1.000 H45 H 4.21300 0.22900 -2.04600 1.000 H46 H 5.15000 2.37300 -2.52900 1.000 H47 H 3.40500 2.56300 -0.25800 1.000 H48 H 2.67200 2.08200 -1.80600 1.000 H49 H 4.22700 -1.27000 1.33200 1.000 H50 H 3.45600 -2.65600 -0.45400 1.000 H51 H 1.81300 -0.91400 0.89500 1.000 H52 H 0.09600 0.57800 0.45200 1.000 H53 H 1.09700 3.00100 -1.13800 1.000 H54 H -0.89200 1.29600 2.03400 1.000 H55 H -1.51000 2.97700 2.03000 1.000 H56 H -2.97000 0.40200 2.59900 1.000 H57 H -3.27900 2.04100 3.23600 1.000 H58 H -4.88600 2.36000 1.64100 1.000 H59 H -3.85000 0.66200 -1.31300 1.000 H60 H -5.07000 1.95800 -1.29800 1.000 H61 H -3.50800 2.21700 -2.10900 1.000 H62 H -2.75100 5.52200 -0.91500 1.000 H63 H -3.27900 4.18700 -1.96600 1.000 H64 H -5.40600 0.46700 0.03000 1.000 H65 H -6.32300 0.58700 2.36600 1.000 H66 H -6.12800 -1.08300 1.78100 1.000 H67 H -4.94500 -0.39600 2.92000 1.000 H68 H -3.01200 -0.27600 -0.19400 1.000 H69 H -3.08800 -0.89100 1.47500 1.000 H70 H -4.96300 -2.38400 0.83900 1.000 H71 H -4.88700 -1.76900 -0.82900 1.000 H72 H -2.55400 -2.58800 -1.02500 1.000 H73 H -2.63000 -3.20300 0.64400 1.000 H74 H -3.92900 -3.71600 -2.70200 1.000 H75 H -3.21800 -6.26900 -1.32900 1.000 H76 H -2.04000 -4.98700 -1.70100 1.000 H77 H -2.25700 -5.53700 -0.02200 1.000 H78 H -5.63700 -4.04000 0.41400 1.000 H79 H -5.31800 -5.71600 -0.09400 1.000 H80 H -4.35700 -4.98400 1.21300 1.000