# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4A' 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 10.20300 -1.51800 -1.58600 1.000 C1 C 9.06100 -0.59400 -1.58400 1.000 C2 C 6.81600 -0.12600 -0.59200 1.000 C3 C 5.76100 -0.62200 0.39900 1.000 C4 C 4.57200 0.34100 0.40100 1.000 C5 C 8.00600 -1.08900 -0.59300 1.000 C6 C 5.56000 2.54400 0.07700 1.000 O7 O 5.71000 2.27200 -1.09800 1.000 N8 N 5.00000 1.64600 0.91100 1.000 O9 O 5.95400 3.74300 0.54600 1.000 C10 C 6.55800 4.71100 -0.35300 1.000 C11 C 6.91000 5.98000 0.42700 1.000 O12 O 3.28500 0.27200 2.37400 1.000 C13 C 2.65100 -1.34000 0.81400 1.000 N14 N 2.75300 -1.95500 -0.33600 1.000 O15 O 1.92500 -2.83800 -0.41200 1.000 C16 C 1.19400 -2.87700 0.70700 1.000 C17 C 0.06500 -3.83000 1.00400 1.000 C18 C -1.23500 -3.23200 0.53300 1.000 C19 C -1.67800 -3.47400 -0.75600 1.000 C20 C -2.86700 -2.93000 -1.19400 1.000 C21 C -3.62500 -2.13300 -0.33400 1.000 C22 C -3.17300 -1.89300 0.96500 1.000 C23 C -1.98400 -2.44800 1.39200 1.000 C24 C -4.90100 -1.54600 -0.79600 1.000 O25 O -5.29100 -1.75700 -1.92800 1.000 N26 N -5.63000 -0.77800 0.03700 1.000 C27 C -6.89400 -0.19600 -0.42200 1.000 C28 C -7.83200 0.08800 0.77100 1.000 C29 C -8.56600 1.35900 0.40300 1.000 C30 C -7.89800 2.00600 -0.62000 1.000 C31 C -6.66900 1.21300 -1.00900 1.000 C32 C -8.39200 3.19900 -1.12000 1.000 C33 C -9.55000 3.74300 -0.60200 1.000 C34 C -10.21900 3.09700 0.42100 1.000 C35 C -9.72800 1.90700 0.92200 1.000 N36 N 1.64600 -1.93700 1.49700 1.000 C37 C 3.48100 -0.21000 1.28300 1.000 H38 H 9.86800 -2.39200 -1.96200 1.000 H39 H 10.87000 -1.15300 -2.25000 1.000 H40 H 8.62900 -0.54900 -2.58400 1.000 H41 H 9.39800 0.40000 -1.28900 1.000 H42 H 6.38400 -0.08200 -1.59100 1.000 H43 H 7.15400 0.86700 -0.29700 1.000 H44 H 6.19400 -0.66600 1.39900 1.000 H45 H 5.42400 -1.61500 0.10500 1.000 H46 H 4.19400 0.45400 -0.61500 1.000 H47 H 8.43800 -1.13300 0.40600 1.000 H48 H 7.66900 -2.08300 -0.88800 1.000 H49 H 4.88000 1.86300 1.84900 1.000 H50 H 5.85400 4.95800 -1.14800 1.000 H51 H 7.46300 4.28800 -0.78700 1.000 H52 H 7.36400 6.70600 -0.24800 1.000 H53 H 6.00500 6.40300 0.86100 1.000 H54 H 7.61400 5.73400 1.22200 1.000 H55 H 0.24000 -4.77400 0.48700 1.000 H56 H 0.01400 -4.00900 2.07800 1.000 H57 H -1.09000 -4.09000 -1.42100 1.000 H58 H -3.21100 -3.11900 -2.20000 1.000 H59 H -3.75500 -1.27800 1.63500 1.000 H60 H -1.63400 -2.26300 2.39600 1.000 H61 H -5.31800 -0.61000 0.94000 1.000 H62 H -7.37800 -0.84900 -1.14800 1.000 H63 H -8.53800 -0.73300 0.90100 1.000 H64 H -7.25100 0.23600 1.68100 1.000 H65 H -5.77500 1.66400 -0.57800 1.000 H66 H -6.58000 1.16100 -2.09400 1.000 H67 H -7.87100 3.70400 -1.92000 1.000 H68 H -9.93400 4.67300 -0.99500 1.000 H69 H -11.12500 3.52100 0.82800 1.000 H70 H -10.25100 1.40200 1.72100 1.000