# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'FLJ' 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 1.19100 0.84000 0.21400 1.000 C1 C 1.47800 -0.44500 0.26100 1.000 C2 C 2.82600 -0.86600 0.14600 1.000 C3 C 4.99600 -0.57200 -0.09800 1.000 C4 C 4.72000 -1.90600 0.01000 1.000 C5 C 6.33200 0.04200 -0.27400 1.000 N6 N 8.48800 0.29800 -0.57300 1.000 C7 C -1.90100 -1.76000 0.15500 1.000 C8 C -2.41200 0.67200 1.40300 1.000 C9 C -1.11200 0.25800 1.21700 1.000 C10 C -4.86300 0.31700 1.15300 1.000 C11 C -5.42900 -0.60200 -1.05100 1.000 C12 C -7.14400 0.65000 0.31100 1.000 C13 C 3.44500 1.41100 -0.05400 1.000 C14 C 2.14900 1.76100 0.06000 1.000 N15 N 3.80200 0.08700 -0.01300 1.000 N16 N 3.40600 -2.05400 0.15600 1.000 C17 C 7.51000 -0.62600 -0.45400 1.000 N18 N 7.90600 1.56700 -0.46900 1.000 C19 C 6.62000 1.42200 -0.29300 1.000 N20 N 0.46600 -1.38100 0.42200 1.000 C21 C -0.85000 -0.96000 0.59800 1.000 C22 C -3.20400 -1.34500 0.32800 1.000 C23 C -3.46900 -0.12400 0.95500 1.000 N24 N -5.77400 0.13000 0.17800 1.000 C25 C -5.85700 0.24500 -2.25500 1.000 O26 O -7.22800 0.62000 -2.10300 1.000 C27 C -7.48900 1.43600 -0.95900 1.000 O28 O -5.18900 0.85100 2.19500 1.000 F29 F -1.64300 -2.94000 -0.45100 1.000 C30 C 1.77000 3.21900 0.01100 1.000 H31 H 5.44600 -2.70500 -0.01900 1.000 H32 H 9.43100 0.11300 -0.70800 1.000 H33 H -2.61400 1.61200 1.89600 1.000 H34 H -0.29500 0.87400 1.56400 1.000 H35 H -4.35300 -0.77300 -1.08700 1.000 H36 H -5.95300 -1.55800 -1.07000 1.000 H37 H -7.84200 -0.17900 0.43000 1.000 H38 H -7.20500 1.30800 1.17800 1.000 H39 H 4.20200 2.17100 -0.17800 1.000 H40 H 7.63700 -1.69700 -0.49300 1.000 H41 H 5.90200 2.22100 -0.17900 1.000 H42 H 0.67500 -2.32800 0.41200 1.000 H43 H -4.01900 -1.96300 -0.02000 1.000 H44 H -5.23800 1.14100 -2.30800 1.000 H45 H -5.73700 -0.33500 -3.17000 1.000 H46 H -8.54300 1.71300 -0.94100 1.000 H47 H -6.87600 2.33700 -1.00700 1.000 H48 H 1.57300 3.50900 -1.02100 1.000 H49 H 0.87600 3.38200 0.61200 1.000 H50 H 2.58900 3.82000 0.40800 1.000