# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JB' 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 6.12000 -0.58300 0.56600 1.000 C1 C -1.16300 4.05600 0.57200 1.000 C2 C 1.23700 -0.64000 0.87000 1.000 O3 O 2.40400 -0.74700 0.05200 1.000 C4 C 3.63200 -0.66700 0.77900 1.000 C5 C 4.80800 -0.79300 -0.19200 1.000 O6 O 4.80200 -2.09400 -0.78200 1.000 O7 O 1.24100 4.15200 0.33900 1.000 C8 C 0.02000 4.06900 -0.39900 1.000 C9 C 0.01300 2.78500 -1.23000 1.000 O10 O 0.00400 1.65300 -0.35700 1.000 C11 C -0.00300 0.39600 -1.03500 1.000 C12 C -0.01200 -0.73800 -0.00800 1.000 C13 C -0.02000 -2.08500 -0.73400 1.000 O14 O -0.02800 -3.14400 0.22500 1.000 O15 O -4.84100 -2.03100 -0.79200 1.000 C16 C -4.83100 -0.72900 -0.20200 1.000 C17 C -3.65600 -0.61900 0.77100 1.000 O18 O -2.42800 -0.71500 0.04800 1.000 C19 C -1.26100 -0.62400 0.86800 1.000 C20 C -6.14200 -0.50200 0.55400 1.000 H21 H 6.21300 -1.33700 1.34800 1.000 H22 H 6.95800 -0.67200 -0.12600 1.000 H23 H 6.12500 0.41000 1.01600 1.000 H24 H -1.15700 4.97200 1.16300 1.000 H25 H -2.09400 3.99300 0.00900 1.000 H26 H -1.07900 3.19500 1.23400 1.000 H27 H 1.23100 -1.44800 1.60200 1.000 H28 H 1.24300 0.31900 1.38800 1.000 H29 H 3.68800 0.29200 1.29400 1.000 H30 H 3.67600 -1.47500 1.50900 1.000 H31 H 4.71600 -0.03900 -0.97400 1.000 H32 H 4.88100 -2.81600 -0.14400 1.000 H33 H 1.31500 4.94400 0.89000 1.000 H34 H -0.06300 4.93100 -1.06200 1.000 H35 H -0.87700 2.76400 -1.85900 1.000 H36 H 0.90300 2.75300 -1.85700 1.000 H37 H -0.89300 0.32600 -1.66100 1.000 H38 H 0.88700 0.31400 -1.65900 1.000 H39 H -0.91000 -2.15500 -1.36000 1.000 H40 H 0.87000 -2.16600 -1.35800 1.000 H41 H -0.03300 -4.02800 -0.16600 1.000 H42 H -4.93100 -2.75200 -0.15300 1.000 H43 H -4.72800 0.02300 -0.98400 1.000 H44 H -3.70000 0.34000 1.28700 1.000 H45 H -3.71200 -1.42700 1.50100 1.000 H46 H -1.26700 -1.43100 1.60000 1.000 H47 H -1.25500 0.33600 1.38500 1.000 H48 H -6.24600 -1.25500 1.33500 1.000 H49 H -6.13500 0.49000 1.00400 1.000 H50 H -6.98000 -0.58100 -0.14000 1.000