# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0XJ' 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 -1.15400 -0.13300 0.57800 1.000 C1 C 1.07500 1.64300 0.65000 1.000 C2 C 1.09400 0.40900 1.53200 1.000 C3 C 0.92000 3.96300 -1.00200 1.000 C4 C 1.82500 2.68300 0.98400 1.000 O5 O -5.60600 -1.53800 -0.61200 1.000 C6 C -4.53700 -1.55400 -0.05100 1.000 C7 C -3.29900 -0.80500 -0.44600 1.000 C8 C -2.42900 -1.68500 -1.34600 1.000 C9 C -3.49600 0.54800 -1.10100 1.000 C10 C -2.08100 1.10500 -1.43000 1.000 C11 C -4.17000 -2.33900 1.20400 1.000 C12 C -2.71600 -1.93400 1.57100 1.000 C13 C -2.57400 -0.56000 0.90500 1.000 C14 C -1.21700 1.20500 -0.17600 1.000 C15 C -0.35400 0.04200 1.87000 1.000 C16 C 0.20300 1.62100 -0.57100 1.000 C17 C 0.75300 0.55500 -1.52000 1.000 C18 C 0.18600 2.90900 -1.32100 1.000 C19 C 1.81700 3.90600 0.16500 1.000 O20 O 2.53400 4.84800 0.44600 1.000 O21 O 1.71800 -0.67300 0.83600 1.000 C22 C 3.13100 -0.75200 1.03100 1.000 C23 C 3.66800 -1.89400 0.27400 1.000 C24 C 4.09600 -2.80600 -0.32900 1.000 C25 C 4.63200 -3.94800 -1.08700 1.000 C26 C 6.14600 -4.03300 -0.87800 1.000 H27 H -0.67900 -0.88700 -0.05000 1.000 H28 H 1.64400 0.62100 2.45000 1.000 H29 H 0.86200 4.86300 -1.59600 1.000 H30 H 2.44700 2.63400 1.86600 1.000 H31 H -2.98000 -1.93400 -2.25300 1.000 H32 H -1.51800 -1.14700 -1.61000 1.000 H33 H -2.16900 -2.60100 -0.81600 1.000 H34 H -4.07200 0.43300 -2.02000 1.000 H35 H -4.01300 1.22600 -0.42100 1.000 H36 H -1.59700 0.44500 -2.15100 1.000 H37 H -2.18200 2.09700 -1.87000 1.000 H38 H -4.84600 -2.07900 2.01800 1.000 H39 H -4.22000 -3.40900 1.00300 1.000 H40 H -2.59800 -1.85400 2.65200 1.000 H41 H -2.00000 -2.64500 1.15700 1.000 H42 H -3.08300 0.21400 1.47900 1.000 H43 H -1.62900 1.96900 0.48400 1.000 H44 H -0.80000 0.83600 2.46800 1.000 H45 H -0.37000 -0.89000 2.43500 1.000 H46 H 0.11700 0.49100 -2.40200 1.000 H47 H 1.76600 0.82300 -1.82000 1.000 H48 H 0.76800 -0.41000 -1.01200 1.000 H49 H -0.46600 2.98700 -2.17900 1.000 H50 H 3.59800 0.16900 0.68100 1.000 H51 H 3.34500 -0.88600 2.09200 1.000 H52 H 4.16500 -4.86800 -0.73600 1.000 H53 H 4.41900 -3.81400 -2.14700 1.000 H54 H 6.54300 -4.87900 -1.43900 1.000 H55 H 6.61300 -3.11300 -1.22900 1.000 H56 H 6.35900 -4.16700 0.18300 1.000