# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '042' 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 -5.63400 2.71500 -0.44100 1.000 C1 C -5.03400 3.62600 -1.51400 1.000 C2 C -3.54600 -1.28100 0.23100 1.000 C3 C -3.95200 -0.24200 1.27800 1.000 O4 O -4.38500 -1.60200 1.34500 1.000 C5 C -2.12600 -1.78400 0.25300 1.000 O6 O -1.89500 -2.93600 0.55500 1.000 N7 N -1.11200 -0.95500 -0.06300 1.000 C8 C 0.26900 -1.44400 -0.04100 1.000 C9 C 1.20800 -0.28700 0.18300 1.000 O10 O 0.76800 0.83500 0.31300 1.000 C11 C 0.59400 -2.11300 -1.37800 1.000 O12 O 0.55500 -1.13700 -2.42100 1.000 C13 C -0.43700 -3.20700 -1.66500 1.000 N14 N 2.53800 -0.50000 0.24100 1.000 C15 C 3.45100 0.62400 0.45900 1.000 C16 C 3.76000 1.28400 -0.86000 1.000 O17 O 4.58200 2.34400 -0.90400 1.000 C18 C 4.74900 0.11300 1.08900 1.000 C19 C 5.65200 1.29900 1.43100 1.000 C20 C 5.46800 -0.80700 0.10000 1.000 C21 C 6.89200 0.79800 2.17300 1.000 O22 O 3.26700 0.85900 -1.87800 1.000 C23 C -4.96600 0.79900 0.87800 1.000 O24 O -6.05700 0.81100 1.39700 1.000 O25 O -4.65700 1.71300 -0.05600 1.000 H26 H -5.90700 3.31100 0.43000 1.000 H27 H -6.52300 2.22400 -0.83700 1.000 H28 H -4.14600 4.11800 -1.11700 1.000 H29 H -4.76200 3.03100 -2.38500 1.000 H30 H -5.76800 4.37900 -1.80300 1.000 H31 H -4.01100 -1.21900 -0.75300 1.000 H32 H -3.19300 0.08600 1.98900 1.000 H33 H -1.29600 -0.03400 -0.30400 1.000 H34 H 0.38500 -2.16800 0.76500 1.000 H35 H 1.58900 -2.55500 -1.33100 1.000 H36 H -0.34000 -0.77100 -2.42900 1.000 H37 H -1.43200 -2.76500 -1.71200 1.000 H38 H -0.20500 -3.68400 -2.61700 1.000 H39 H -0.40700 -3.95200 -0.86900 1.000 H40 H 2.89000 -1.39800 0.13700 1.000 H41 H 2.98400 1.34800 1.12700 1.000 H42 H 4.78000 2.76800 -1.75100 1.000 H43 H 4.51700 -0.44200 1.99800 1.000 H44 H 5.95500 1.80100 0.51300 1.000 H45 H 5.10700 1.99900 2.06500 1.000 H46 H 6.39200 -1.17100 0.54900 1.000 H47 H 4.82400 -1.65200 -0.14400 1.000 H48 H 5.69900 -0.25300 -0.80900 1.000 H49 H 6.58800 0.29600 3.09200 1.000 H50 H 7.43700 0.09800 1.53900 1.000 H51 H 7.53600 1.64400 2.41700 1.000