# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90A' 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 -5.14100 1.30900 -1.02300 1.000 C1 C -4.09600 1.97200 -0.12200 1.000 C2 C -7.16900 -0.01900 -0.77500 1.000 C3 C -2.37500 1.48000 1.47100 1.000 C4 C -1.67600 0.32000 2.18400 1.000 O5 O -7.26000 -0.05200 -1.98400 1.000 C6 C -8.20100 -0.71100 0.07800 1.000 N7 N -6.14400 0.63700 -0.19400 1.000 O8 O -3.38000 0.96500 0.59600 1.000 O9 O -0.97300 -0.47400 1.22700 1.000 C10 C -0.28300 -1.59000 1.79200 1.000 C11 C 0.43000 -2.36400 0.68100 1.000 O12 O 1.44700 -1.54200 0.10500 1.000 C13 C 2.17800 -2.17400 -0.94800 1.000 C14 C 3.23400 -1.20700 -1.48700 1.000 O15 O 4.19800 -0.93800 -0.46700 1.000 C16 C 5.23500 -0.04000 -0.87000 1.000 C17 C 6.20400 0.17400 0.29400 1.000 C18 C 7.29800 1.12000 -0.13000 1.000 O19 O 7.30100 1.57700 -1.24900 1.000 H20 H -5.62600 2.06900 -1.63600 1.000 H21 H -4.65400 0.57800 -1.66800 1.000 H22 H -3.40000 2.54600 -0.73400 1.000 H23 H -4.59400 2.63700 0.58300 1.000 H24 H -2.83700 2.13500 2.21000 1.000 H25 H -1.64300 2.04400 0.89200 1.000 H26 H -0.97200 0.71500 2.91600 1.000 H27 H -2.42000 -0.29500 2.69100 1.000 H28 H -7.95400 -0.57200 1.13100 1.000 H29 H -9.18400 -0.28500 -0.12400 1.000 H30 H -8.21100 -1.77500 -0.15600 1.000 H31 H -6.07200 0.66400 0.77300 1.000 H32 H 0.45100 -1.23400 2.51600 1.000 H33 H -0.99700 -2.24500 2.29000 1.000 H34 H 0.88300 -3.26300 1.09800 1.000 H35 H -0.29000 -2.64200 -0.08700 1.000 H36 H 2.66700 -3.06900 -0.56500 1.000 H37 H 1.49400 -2.44800 -1.75100 1.000 H38 H 3.73100 -1.65500 -2.34800 1.000 H39 H 2.75400 -0.27600 -1.78900 1.000 H40 H 5.77300 -0.46400 -1.71800 1.000 H41 H 4.79700 0.91500 -1.15800 1.000 H42 H 5.66600 0.59800 1.14200 1.000 H43 H 6.64200 -0.78100 0.58300 1.000 O44 O 8.26700 1.45700 0.73500 1.000 H45 H 8.94700 2.06700 0.41700 1.000