# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0EX' 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 2.40400 1.04500 0.02700 1.000 C1 C 1.20600 1.74800 0.04300 1.000 C2 C 0.87100 3.05700 -0.23500 1.000 C3 C -0.45700 3.46600 -0.12300 1.000 C4 C -1.45900 2.54400 0.27300 1.000 C5 C -1.11400 1.22700 0.55100 1.000 C6 C -2.17100 0.24000 0.97200 1.000 C7 C -2.75300 -0.44400 -0.26700 1.000 N8 N -3.78400 -1.40700 0.14400 1.000 C9 C -4.36500 -2.08500 -1.02200 1.000 C10 C -5.41700 -3.06200 -0.56300 1.000 C11 C -6.73100 -2.65300 -0.43500 1.000 C12 C -7.69500 -3.54900 -0.01300 1.000 C13 C -7.34500 -4.85400 0.28200 1.000 C14 C -6.03100 -5.26200 0.15300 1.000 C15 C -5.06800 -4.36800 -0.27500 1.000 C16 C 0.21600 0.82400 0.43800 1.000 N17 N 0.84100 -0.36500 0.63800 1.000 C18 C 2.12200 -0.23900 0.39300 1.000 N19 N 3.04900 -1.25200 0.49700 1.000 C20 C 4.45800 -0.98900 0.19400 1.000 N21 N -2.74400 2.97200 0.37300 1.000 C22 C -3.07400 4.21000 0.11200 1.000 N23 N -4.39300 4.57500 0.23400 1.000 N24 N -2.17100 5.15900 -0.27400 1.000 C25 C -0.86100 4.84800 -0.40800 1.000 O26 O -0.04700 5.68500 -0.75200 1.000 H27 H 3.27700 1.39900 -0.20400 1.000 H28 H 1.63300 3.76100 -0.53600 1.000 H29 H -1.72800 -0.51000 1.62700 1.000 H30 H -2.96600 0.76400 1.50400 1.000 H31 H -3.19600 0.30600 -0.92200 1.000 H32 H -1.95800 -0.96800 -0.79900 1.000 H33 H -4.49900 -0.95700 0.69500 1.000 H34 H -4.82000 -1.34600 -1.68300 1.000 H35 H -3.58200 -2.61900 -1.56000 1.000 H36 H -7.00500 -1.63400 -0.66400 1.000 H37 H -8.72200 -3.23000 0.08800 1.000 H38 H -8.09800 -5.55400 0.61200 1.000 H39 H -5.75700 -6.28100 0.38400 1.000 H40 H -4.04100 -4.68700 -0.37500 1.000 H41 H 2.76900 -2.13900 0.77100 1.000 H42 H 4.55100 -0.65200 -0.83800 1.000 H43 H 4.83600 -0.21700 0.86400 1.000 H44 H -5.05400 3.91900 0.50700 1.000 H45 H -4.66300 5.48700 0.04700 1.000 H46 H -2.47100 6.06300 -0.45400 1.000 C47 C 5.26900 -2.27300 0.38700 1.000 C48 C 6.71800 -2.00200 0.07600 1.000 C49 C 7.57400 -1.58600 1.07800 1.000 C50 C 8.90400 -1.33800 0.79300 1.000 C51 C 9.37800 -1.50700 -0.49500 1.000 C52 C 8.52200 -1.92500 -1.49700 1.000 C53 C 7.19300 -2.17700 -1.21000 1.000 H54 H 5.17500 -2.61000 1.42000 1.000 H55 H 4.89100 -3.04500 -0.28300 1.000 H56 H 7.20400 -1.45300 2.08400 1.000 H57 H 9.57300 -1.01200 1.57600 1.000 H58 H 10.41700 -1.31300 -0.71800 1.000 H59 H 8.89200 -2.05700 -2.50300 1.000 H60 H 6.52500 -2.50300 -1.99300 1.000