# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FRG' 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 2.85300 -3.06300 -2.59700 1.000 C1 C 3.24900 -3.93100 -1.70900 1.000 N2 N 3.89500 -5.07700 -2.10700 1.000 N3 N 3.02100 -3.69900 -0.37300 1.000 C4 C 2.43800 -2.42800 0.07700 1.000 C5 C 3.35500 -4.71900 0.63100 1.000 C6 C 4.25600 -4.08500 1.69600 1.000 C7 C 3.56800 -2.84200 2.26600 1.000 C8 C 3.34800 -1.82000 1.14900 1.000 C9 C 2.69000 -0.56500 1.72600 1.000 C10 C 2.58500 0.48600 0.65200 1.000 O11 O 2.99500 0.25500 -0.46600 1.000 N12 N 2.03400 1.68400 0.93300 1.000 C13 C 1.93100 2.70600 -0.11100 1.000 C14 C 3.22200 3.47900 -0.18600 1.000 O15 O 4.13500 3.20500 0.55700 1.000 O16 O 3.35900 4.47300 -1.07800 1.000 C17 C 4.60300 5.21800 -1.15000 1.000 C18 C 0.78300 3.66100 0.22100 1.000 C19 C -0.52300 2.91200 0.17500 1.000 C20 C -1.00700 2.30000 1.31800 1.000 C21 C -2.20200 1.61200 1.28400 1.000 C22 C -1.23600 2.84300 -1.00900 1.000 C23 C -2.43000 2.15400 -1.06000 1.000 C24 C -2.92400 1.53300 0.09100 1.000 C25 C -4.16500 0.82000 0.04700 1.000 C26 C -5.18300 0.23600 0.01100 1.000 C27 C -6.42400 -0.47700 -0.03300 1.000 C28 C -7.14700 -0.55600 -1.22700 1.000 C29 C -8.34100 -1.24400 -1.26100 1.000 C30 C -6.91500 -1.10300 1.11600 1.000 C31 C -8.11400 -1.78300 1.06700 1.000 C32 C -8.82400 -1.85700 -0.11800 1.000 H33 H 3.01400 -3.22700 -3.54000 1.000 H34 H 4.11900 -5.75900 -1.45500 1.000 H35 H 4.12700 -5.20300 -3.04100 1.000 H36 H 1.44900 -2.60800 0.49900 1.000 H37 H 2.35800 -1.74300 -0.76700 1.000 H38 H 3.88100 -5.54400 0.15200 1.000 H39 H 2.44100 -5.08600 1.09700 1.000 H40 H 5.20700 -3.79900 1.24500 1.000 H41 H 4.43300 -4.80200 2.49700 1.000 H42 H 4.19600 -2.40300 3.04200 1.000 H43 H 2.60600 -3.12400 2.69500 1.000 H44 H 4.30800 -1.55600 0.70400 1.000 H45 H 3.29500 -0.18400 2.54900 1.000 H46 H 1.69400 -0.81300 2.09100 1.000 H47 H 1.70600 1.86900 1.82700 1.000 H48 H 1.73900 2.22700 -1.07100 1.000 H49 H 4.79600 5.69800 -0.19000 1.000 H50 H 5.42100 4.53800 -1.38700 1.000 H51 H 4.52700 5.97900 -1.92700 1.000 H52 H 0.93100 4.07300 1.21900 1.000 H53 H 0.76300 4.47200 -0.50700 1.000 H54 H -0.44700 2.36200 2.24000 1.000 H55 H -2.57700 1.13500 2.17700 1.000 H56 H -0.85300 3.32300 -1.89700 1.000 H57 H -2.98300 2.09700 -1.98600 1.000 H58 H -6.77100 -0.07800 -2.11900 1.000 H59 H -8.90100 -1.30500 -2.18300 1.000 H60 H -6.36200 -1.04600 2.04100 1.000 H61 H -8.49800 -2.26300 1.95600 1.000 H62 H -9.76000 -2.39400 -0.15100 1.000