# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FRB' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 8.09800 3.73600 -0.52300 1.000 C1 C 7.30800 2.70200 -0.45700 1.000 N2 N 6.30500 2.54200 -1.38300 1.000 N3 N 7.47800 1.77000 0.54000 1.000 C4 C 6.67100 0.54800 0.54600 1.000 C5 C 6.87000 -0.20100 -0.77300 1.000 C6 C 8.32000 -0.67900 -0.87400 1.000 C7 C 8.51800 -1.42800 -2.19400 1.000 C8 C 7.57900 -2.63500 -2.24200 1.000 C9 C 6.12900 -2.15700 -2.14000 1.000 C10 C 5.93000 -1.40800 -0.82100 1.000 C11 C 5.21600 0.90800 0.70500 1.000 O12 O 4.83700 2.03000 0.44500 1.000 N13 N 4.33600 -0.01800 1.13700 1.000 C14 C 2.92200 0.33200 1.29200 1.000 C15 C 2.15800 -0.87000 1.78400 1.000 O16 O 2.73800 -1.91600 1.98500 1.000 N17 N 0.83100 -0.78300 1.99900 1.000 C18 C 0.07200 -1.94700 2.47900 1.000 C19 C -1.10500 -2.19200 1.53100 1.000 C20 C 0.11600 0.47900 1.76600 1.000 C21 C -1.06400 0.20400 0.82000 1.000 C22 C -1.93200 -0.91100 1.40700 1.000 C23 C -3.11100 -1.15900 0.50200 1.000 N24 N -3.12300 -1.96300 -0.58300 1.000 N25 N -4.40500 -1.91700 -1.14500 1.000 C26 C -4.34200 -0.62000 0.63600 1.000 C27 C -5.14300 -1.10700 -0.41600 1.000 C28 C -6.56800 -0.76900 -0.65700 1.000 C29 C -7.02000 0.53600 -0.46800 1.000 Cl30 Cl -5.91500 1.77300 0.04300 1.000 C31 C -7.46100 -1.75800 -1.06600 1.000 C32 C -8.78500 -1.44000 -1.28800 1.000 C33 C -9.22900 -0.14200 -1.10500 1.000 C34 C -8.34800 0.84400 -0.69800 1.000 Cl35 Cl -8.91200 2.47000 -0.47000 1.000 H36 H 8.85000 3.81300 0.08500 1.000 H37 H 6.14900 3.22700 -2.05200 1.000 H38 H 5.75700 1.74200 -1.37100 1.000 H39 H 8.13300 1.92300 1.24000 1.000 H40 H 6.98100 -0.08800 1.37600 1.000 H41 H 6.64800 0.46600 -1.60600 1.000 H42 H 8.98900 0.18100 -0.84000 1.000 H43 H 8.54200 -1.34500 -0.04100 1.000 H44 H 8.29600 -0.76100 -3.02700 1.000 H45 H 9.55100 -1.76800 -2.26600 1.000 H46 H 7.72100 -3.16800 -3.18100 1.000 H47 H 7.80100 -3.30100 -1.40800 1.000 H48 H 5.90700 -1.49000 -2.97300 1.000 H49 H 5.46000 -3.01600 -2.17400 1.000 H50 H 6.15200 -2.07400 0.01300 1.000 H51 H 4.89700 -1.06700 -0.74800 1.000 H52 H 4.64000 -0.91500 1.34500 1.000 H53 H 2.82500 1.14400 2.01200 1.000 H54 H 2.51900 0.65000 0.33000 1.000 H55 H 0.71900 -2.82400 2.49300 1.000 H56 H -0.30200 -1.75000 3.48300 1.000 H57 H -0.72800 -2.47800 0.54900 1.000 H58 H -1.73100 -2.99200 1.92700 1.000 H59 H -0.25800 0.87400 2.71000 1.000 H60 H 0.79100 1.20100 1.30700 1.000 H61 H -0.68700 -0.10400 -0.15500 1.000 H62 H -1.65900 1.11000 0.71100 1.000 H63 H -2.28800 -0.61200 2.39300 1.000 H64 H -2.37400 -2.48200 -0.91600 1.000 H65 H -4.65600 0.06700 1.40800 1.000 H66 H -7.11700 -2.77100 -1.21100 1.000 H67 H -9.47700 -2.20600 -1.60600 1.000 H68 H -10.26600 0.10200 -1.28000 1.000