# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'STU' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -2.08500 -1.64900 -0.89900 1.000 C1 C -2.52200 -0.92200 0.21100 1.000 C2 C -3.30900 0.33100 -0.13700 1.000 C3 C -2.50600 1.17700 -1.13300 1.000 C4 C -2.22000 0.30400 -2.36200 1.000 C5 C -1.44700 -0.92700 -1.91300 1.000 C6 C -1.43900 -1.84700 -3.13600 1.000 N7 N -0.04500 -0.62300 -1.64100 1.000 C8 C 0.47600 -0.41300 -0.37300 1.000 C9 C -0.16200 -0.41000 0.86900 1.000 C10 C 0.56600 -0.16400 2.03300 1.000 C11 C 1.95800 0.07000 1.94600 1.000 C12 C 2.58200 0.06500 0.70200 1.000 C13 C 1.85400 -0.17000 -0.45900 1.000 C14 C 2.17800 -0.23800 -1.88500 1.000 C15 C 0.96800 -0.51200 -2.56400 1.000 C16 C 0.94600 -0.63100 -3.95200 1.000 C17 C 2.14900 -0.47000 -4.61900 1.000 C18 C 3.33100 -0.20300 -3.95200 1.000 C19 C 3.38000 -0.08000 -2.57300 1.000 C20 C 4.04300 0.35000 0.95600 1.000 N21 N 4.18100 0.50800 2.40800 1.000 C22 C 2.97400 0.34400 2.97400 1.000 O23 O 2.75200 0.41300 4.16800 1.000 C24 C -0.40000 -0.21800 3.12600 1.000 C25 C -1.66000 -0.49200 2.54300 1.000 C26 C -2.80000 -0.60500 3.33800 1.000 C27 C -2.63600 -0.43900 4.70300 1.000 C28 C -1.40300 -0.17300 5.27100 1.000 C29 C -0.25600 -0.05500 4.50500 1.000 N30 N -1.46100 -0.63100 1.17100 1.000 O31 O -1.42300 1.06000 -3.27600 1.000 C32 C -2.32700 1.71900 -4.16400 1.000 N33 N -1.24200 1.60400 -0.51900 1.000 C34 C -1.50000 2.90000 0.12200 1.000 H35 H -3.22200 -1.57200 0.73500 1.000 H36 H -3.49000 0.91000 0.76800 1.000 H37 H -4.26200 0.04800 -0.58500 1.000 H38 H -3.08700 2.05100 -1.42800 1.000 H39 H -3.14300 -0.00300 -2.85300 1.000 H40 H -0.58900 -2.52600 -3.07400 1.000 H41 H -2.36400 -2.42300 -3.16300 1.000 H42 H -1.35800 -1.24600 -4.04200 1.000 H43 H 0.03000 -0.83900 -4.48500 1.000 H44 H 2.16500 -0.55500 -5.69600 1.000 H45 H 4.24100 -0.08900 -4.52200 1.000 H46 H 4.30400 0.12800 -2.05600 1.000 H47 H 4.65300 -0.48300 0.61000 1.000 H48 H 4.33900 1.26800 0.44900 1.000 H49 H 5.00700 0.69900 2.88000 1.000 H50 H -3.76900 -0.81200 2.90800 1.000 H51 H -3.50000 -0.52100 5.34600 1.000 H52 H -1.33300 -0.05400 6.34200 1.000 H53 H 0.70400 0.15300 4.95300 1.000 H54 H -1.76200 2.31200 -4.88400 1.000 H55 H -2.92300 0.97600 -4.69400 1.000 H56 H -2.98600 2.37300 -3.59300 1.000 H57 H -0.59700 1.77800 -1.27500 1.000 H58 H -0.58700 3.26000 0.59400 1.000 H59 H -1.82800 3.61800 -0.62900 1.000 H60 H -2.27800 2.78300 0.87600 1.000