# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JB7' 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 4.35200 2.10700 2.14200 1.000 C1 C 5.15000 1.48500 1.02600 1.000 C2 C 5.74700 2.58800 0.14900 1.000 C3 C 6.65700 1.96200 -0.90900 1.000 C4 C 7.24500 3.04800 -1.77200 1.000 C5 C 4.03900 -0.63800 0.58300 1.000 C6 C -3.85300 0.54800 -0.86500 1.000 C7 C -5.91000 1.64900 -0.32500 1.000 C8 C -6.59300 0.45900 -0.50200 1.000 O9 O -3.54200 -3.98300 1.43500 1.000 C10 C -3.93700 -3.52100 0.38500 1.000 C11 C -5.19600 -4.05500 -0.24700 1.000 N12 N -3.24900 -2.52900 -0.21600 1.000 C13 C -3.78600 -1.89200 -1.42100 1.000 C14 C -4.53500 -0.64200 -1.03600 1.000 C15 C -5.90500 -0.68700 -0.85500 1.000 Br16 Br -6.85000 3.21500 0.16600 1.000 C17 C -4.54000 1.69300 -0.50700 1.000 C18 C -1.96600 -2.08900 0.33600 1.000 C19 C -0.83400 -2.90700 -0.29000 1.000 C20 C 0.50700 -2.44700 0.28700 1.000 C21 C 1.63800 -3.26400 -0.33900 1.000 C22 C 2.97900 -2.80500 0.23700 1.000 C23 C 4.08100 -3.69000 -0.28600 1.000 O24 O 4.05600 -5.00900 -0.03800 1.000 O25 O 4.98600 -3.21200 -0.92800 1.000 N26 N 3.23400 -1.41900 -0.16400 1.000 O27 O 4.55500 -1.08400 1.59000 1.000 N28 N 4.27400 0.63600 0.21400 1.000 O29 O 3.17200 1.86700 2.24900 1.000 O30 O 4.95200 2.92400 3.02200 1.000 O31 O 8.08100 2.73100 -2.77400 1.000 O32 O 6.96500 4.20400 -1.56200 1.000 H33 H 5.95300 0.88000 1.44600 1.000 H34 H 4.94300 3.13700 -0.34200 1.000 H35 H 6.32700 3.27100 0.77000 1.000 H36 H 7.46100 1.41300 -0.41800 1.000 H37 H 6.07700 1.27900 -1.52900 1.000 H38 H -2.78300 0.58200 -1.00700 1.000 H39 H -7.66300 0.42400 -0.36000 1.000 H40 H -5.56000 -4.90500 0.32900 1.000 H41 H -5.95600 -3.27300 -0.26100 1.000 H42 H -4.98300 -4.37300 -1.26800 1.000 H43 H -2.96500 -1.63200 -2.09000 1.000 H44 H -4.46200 -2.58100 -1.92600 1.000 H45 H -6.43800 -1.61600 -0.98900 1.000 H46 H -4.00600 2.62200 -0.36900 1.000 H47 H -1.81700 -1.03300 0.11300 1.000 H48 H -1.96500 -2.23600 1.41700 1.000 H49 H -0.98200 -3.96300 -0.06700 1.000 H50 H -0.83400 -2.76000 -1.37000 1.000 H51 H 0.65500 -1.39000 0.06400 1.000 H52 H 0.50700 -2.59400 1.36700 1.000 H53 H 1.49000 -4.32100 -0.11600 1.000 H54 H 1.63800 -3.11800 -1.41900 1.000 H55 H 2.94700 -2.86800 1.32500 1.000 H56 H 4.78500 -5.53600 -0.39400 1.000 H57 H 2.82300 -1.06400 -0.96700 1.000 H58 H 3.86300 0.99200 -0.59000 1.000 H59 H 4.40000 3.29600 3.72300 1.000 H60 H 8.43200 3.46200 -3.30000 1.000