# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JB1' 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 8.48300 -0.42500 2.25100 1.000 C1 C 7.34000 -0.95500 1.38300 1.000 C2 C 6.33600 0.16900 1.12100 1.000 C3 C 5.19300 -0.36000 0.25300 1.000 C4 C 4.18800 0.76400 -0.00900 1.000 C5 C 4.85600 1.85900 -0.84300 1.000 C6 C 3.89700 3.04300 -0.99100 1.000 O7 O 4.48200 4.02500 -1.84700 1.000 C8 C 2.98500 0.20500 -0.77100 1.000 C9 C 3.45900 -0.43000 -2.07900 1.000 C10 C 2.28600 -0.85300 0.08600 1.000 C11 C 1.86000 -0.24800 1.44900 1.000 C12 C 0.32400 -0.46000 1.56100 1.000 C13 C 0.08000 -1.65500 0.63600 1.000 C14 C 0.98800 -1.29300 -0.57300 1.000 C15 C 0.37600 -0.10900 -1.32500 1.000 C16 C 1.02100 -2.49000 -1.49400 1.000 C17 C -0.38300 -2.64600 -2.10300 1.000 C18 C -1.44900 -2.84200 -1.02700 1.000 C19 C -1.30200 -1.79900 0.07200 1.000 C20 C -2.32900 -1.06600 0.50300 1.000 C21 C -3.65800 -1.25000 -0.08600 1.000 C22 C -4.69700 -0.50800 0.35000 1.000 C23 C -6.08700 -0.66800 -0.23200 1.000 C24 C -6.64900 0.72600 -0.52900 1.000 O25 O -7.98100 0.60300 -1.03200 1.000 C26 C -6.66500 1.56100 0.75200 1.000 C27 C -5.22800 1.83100 1.21200 1.000 O28 O -4.53600 2.58500 0.21500 1.000 C29 C -4.53600 0.49500 1.42300 1.000 C30 C -3.81900 0.24000 2.51700 1.000 H31 H 8.98200 0.39400 1.73400 1.000 H32 H 8.08300 -0.06700 3.20000 1.000 H33 H 9.19900 -1.22600 2.43800 1.000 H34 H 7.74000 -1.31300 0.43500 1.000 H35 H 6.84100 -1.77500 1.90000 1.000 H36 H 5.93600 0.52800 2.06900 1.000 H37 H 6.83500 0.98900 0.60400 1.000 H38 H 5.59300 -0.71900 -0.69600 1.000 H39 H 4.69400 -1.18000 0.77000 1.000 H40 H 3.85500 1.18200 0.94000 1.000 H41 H 5.76700 2.19000 -0.34600 1.000 H42 H 5.10200 1.46600 -1.83000 1.000 H43 H 2.95700 2.69800 -1.42200 1.000 H44 H 3.70800 3.48100 -0.01100 1.000 H45 H 3.92800 4.80600 -1.98600 1.000 H46 H 2.28700 1.01300 -0.99100 1.000 H47 H 4.15700 -1.23800 -1.85900 1.000 H48 H 2.60200 -0.82800 -2.62200 1.000 H49 H 3.95700 0.32300 -2.68900 1.000 H50 H 2.94300 -1.70900 0.24000 1.000 H51 H 2.37000 -0.76400 2.26300 1.000 H52 H 2.09400 0.81700 1.47500 1.000 H53 H 0.04100 -0.70100 2.58600 1.000 H54 H -0.21400 0.41900 1.20700 1.000 H55 H 0.41000 -2.58100 1.10700 1.000 H56 H 1.00000 0.13800 -2.18400 1.000 H57 H -0.62400 -0.37300 -1.66700 1.000 H58 H 0.31700 0.75200 -0.65900 1.000 H59 H 1.75200 -2.32800 -2.28600 1.000 H60 H 1.28000 -3.38500 -0.92800 1.000 H61 H -0.62100 -1.75300 -2.68100 1.000 H62 H -0.38800 -3.51000 -2.76800 1.000 H63 H -2.43700 -2.75000 -1.47900 1.000 H64 H -1.34400 -3.83600 -0.59400 1.000 H65 H -2.18100 -0.33700 1.28600 1.000 H66 H -3.80600 -1.97900 -0.86800 1.000 H67 H -6.03400 -1.24700 -1.15500 1.000 H68 H -6.72900 -1.17900 0.48500 1.000 H69 H -6.02400 1.21800 -1.27400 1.000 H70 H -8.04800 0.08900 -1.84800 1.000 H71 H -7.16800 2.50900 0.56000 1.000 H72 H -7.19900 1.02000 1.53200 1.000 H73 H -5.24200 2.38800 2.14900 1.000 H74 H -3.62000 2.79100 0.44300 1.000 H75 H -3.33700 -0.72000 2.63500 1.000 H76 H -3.71900 0.99200 3.28500 1.000