# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CT1' 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 -4.13800 3.79700 -0.32200 1.000 C1 C -4.53900 2.32900 -0.48400 1.000 C2 C -3.43900 1.43400 0.09200 1.000 C3 C -3.84000 -0.03300 -0.07000 1.000 O4 O -2.55000 -3.17600 -0.17100 1.000 N5 N -1.51800 -0.77100 -0.28500 1.000 C6 C -0.31700 -1.02700 0.27100 1.000 O7 O -0.24900 -1.38900 1.42900 1.000 O8 O 0.80700 -0.88200 -0.45600 1.000 C9 C 2.10000 -1.15800 0.14300 1.000 C10 C 3.16400 -0.27500 -0.51100 1.000 C11 C 2.88000 1.17100 -0.19600 1.000 C12 C 2.08000 1.91800 -1.04100 1.000 C13 C 1.81600 3.24300 -0.75000 1.000 C14 C 2.35800 3.82400 0.38100 1.000 C15 C 3.16300 3.07900 1.22300 1.000 C16 C 3.42300 1.75200 0.93400 1.000 C17 C 2.45700 -2.63100 -0.07100 1.000 C18 C 1.39200 -3.51400 0.58300 1.000 C19 C 2.51600 -2.92900 -1.57000 1.000 C20 C -3.18700 -2.36700 0.45900 1.000 C21 C -2.74000 -0.92800 0.50600 1.000 H22 H -3.20500 3.98000 -0.85500 1.000 H23 H -4.92100 4.43500 -0.73300 1.000 H24 H -4.00400 4.02200 0.73600 1.000 H25 H -5.47200 2.14600 0.04800 1.000 H26 H -4.67300 2.10400 -1.54200 1.000 H27 H -2.50600 1.61700 -0.44000 1.000 H28 H -3.30500 1.66000 1.15000 1.000 H29 H -4.77300 -0.21600 0.46200 1.000 H30 H -3.97500 -0.25900 -1.12800 1.000 H31 H -1.57200 -0.48100 -1.21000 1.000 H32 H 2.05800 -0.94600 1.21100 1.000 H33 H 4.14700 -0.54500 -0.12500 1.000 H34 H 3.14500 -0.42300 -1.59100 1.000 H35 H 1.65600 1.46400 -1.92500 1.000 H36 H 1.18700 3.82500 -1.40800 1.000 H37 H 2.15400 4.86000 0.60700 1.000 H38 H 3.58700 3.53200 2.10600 1.000 H39 H 4.05200 1.17000 1.59200 1.000 H40 H 3.42800 -2.83800 0.37900 1.000 H41 H 1.64700 -4.56300 0.43100 1.000 H42 H 1.35100 -3.30200 1.65200 1.000 H43 H 0.42200 -3.30600 0.13400 1.000 H44 H 3.27400 -2.29900 -2.03600 1.000 H45 H 2.77000 -3.97800 -1.72300 1.000 H46 H 1.54500 -2.72100 -2.02000 1.000 H47 H -4.07800 -2.67300 0.98800 1.000 H48 H -2.54400 -0.64300 1.53900 1.000