# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CTX' 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 -4.52900 -0.19800 1.49900 1.000 C1 C -4.17000 -0.96600 0.22600 1.000 O2 O 3.53400 0.31800 -0.83400 1.000 C3 C 4.11400 -0.19900 0.36500 1.000 C4 C 5.63900 -0.20400 0.23300 1.000 C5 C 2.18700 0.29900 -0.65700 1.000 C6 C 1.34900 0.74900 -1.67000 1.000 C7 C -0.01800 0.73100 -1.49500 1.000 C8 C 0.28500 -0.18600 0.71900 1.000 C9 C 1.65100 -0.17000 0.53500 1.000 C10 C -0.56000 0.26000 -0.29800 1.000 C11 C -2.02700 0.23800 -0.10700 1.000 C12 C -2.78600 1.50800 -0.06500 1.000 C13 C -2.57200 2.41800 0.97000 1.000 C14 C -3.28400 3.60000 1.00300 1.000 C15 C -4.20700 3.88300 0.01300 1.000 C16 C -4.42500 2.98400 -1.01600 1.000 C17 C -3.71600 1.80100 -1.06400 1.000 C18 C -1.14400 -4.20400 1.07600 1.000 C19 C -0.50000 -4.58300 -0.08900 1.000 C20 C -0.56300 -3.78100 -1.21500 1.000 C21 C -1.27200 -2.59900 -1.18600 1.000 C22 C -1.92100 -2.20600 -0.01100 1.000 C23 C -1.85300 -3.02200 1.12400 1.000 C24 C -2.67600 -0.94400 0.03100 1.000 N25 N 6.12600 1.17800 0.12900 1.000 C26 C 6.07000 1.74800 1.48200 1.000 C27 C 7.54700 1.09800 -0.23700 1.000 H28 H -4.18900 0.83400 1.40900 1.000 H29 H -5.61000 -0.21300 1.64000 1.000 H30 H -4.04400 -0.66600 2.35600 1.000 H31 H -4.50900 -1.99800 0.31700 1.000 H32 H -4.65500 -0.49800 -0.63000 1.000 H33 H 3.82600 0.42900 1.20900 1.000 H34 H 3.76000 -1.21600 0.53100 1.000 H35 H 6.07800 -0.68000 1.10900 1.000 H36 H 5.92300 -0.75800 -0.66200 1.000 H37 H 1.77000 1.11400 -2.59500 1.000 H38 H -0.66800 1.08000 -2.28300 1.000 H39 H -0.13100 -0.55100 1.64700 1.000 H40 H 2.30500 -0.51900 1.32000 1.000 H41 H -1.85200 2.19900 1.74400 1.000 H42 H -3.11900 4.30600 1.80400 1.000 H43 H -4.76200 4.81000 0.04400 1.000 H44 H -5.14800 3.21000 -1.78500 1.000 H45 H -3.88600 1.10100 -1.86800 1.000 H46 H -1.09000 -4.83500 1.95100 1.000 H47 H 0.05400 -5.51000 -0.11900 1.000 H48 H -0.05700 -4.08300 -2.12000 1.000 H49 H -1.32000 -1.97500 -2.06600 1.000 H50 H -2.35400 -2.72700 2.03400 1.000 H51 H 6.42400 2.77800 1.45600 1.000 H52 H 5.04200 1.72500 1.84300 1.000 H53 H 6.70300 1.16200 2.14900 1.000 H54 H 7.64800 0.57800 -1.19000 1.000 H55 H 7.95600 2.10400 -0.32700 1.000 H56 H 8.09000 0.55200 0.53400 1.000