# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '01T' 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 -2.06600 -0.04100 -0.40500 1.000 C1 C -3.32200 -0.73200 -0.87100 1.000 C2 C -4.15100 -1.15500 0.34300 1.000 C3 C -4.61800 0.09000 1.10000 1.000 C4 C -5.37000 -1.95400 -0.12500 1.000 C5 C 0.18000 1.25400 0.44400 1.000 C6 C 2.09900 2.61500 -0.27700 1.000 C7 C 1.56300 -0.82300 0.20300 1.000 C8 C 2.17000 -1.01000 1.44300 1.000 C9 C 3.37200 -1.68300 1.52600 1.000 C10 C 5.28600 -2.90700 0.47700 1.000 C11 C 2.17100 -1.32300 -0.94700 1.000 O12 O 3.21600 3.33800 -0.10000 1.000 O13 O 1.65600 2.45000 -1.38900 1.000 C14 C 1.39700 2.00900 0.91100 1.000 C15 C -1.04200 1.88800 0.34100 1.000 C16 C -1.15400 3.34700 0.70100 1.000 C17 C -0.89100 4.20000 -0.54200 1.000 N18 N -2.11100 1.23500 -0.07300 1.000 C19 C -3.29600 -2.02400 1.26800 1.000 C20 C -0.88700 -0.75200 -0.32600 1.000 C21 C -0.84700 -2.21100 -0.70200 1.000 N22 N -0.39800 -2.34500 -2.09500 1.000 C23 C 0.27100 -0.10000 0.10800 1.000 C24 C 3.37300 -1.99500 -0.85200 1.000 C25 C 3.97400 -2.17300 0.38100 1.000 H26 H -3.90400 -0.04900 -1.48900 1.000 H27 H -3.05600 -1.61300 -1.45400 1.000 H28 H -5.13300 0.76200 0.41300 1.000 H29 H -5.29900 -0.20500 1.89900 1.000 H30 H -3.75500 0.60000 1.52900 1.000 H31 H -5.03700 -2.84000 -0.66500 1.000 H32 H -5.96100 -2.25500 0.74000 1.000 H33 H -5.97900 -1.33400 -0.78400 1.000 H34 H 1.70100 -0.62800 2.33800 1.000 H35 H 3.84300 -1.82800 2.48700 1.000 H36 H 6.10800 -2.19700 0.38200 1.000 H37 H 5.35000 -3.41000 1.44200 1.000 H38 H 5.34900 -3.64500 -0.32200 1.000 H39 H 1.70200 -1.18600 -1.91000 1.000 H40 H 3.63100 3.70600 -0.89200 1.000 H41 H 1.09200 2.80100 1.59600 1.000 H42 H 2.07400 1.32600 1.42400 1.000 H43 H -2.15600 3.55300 1.07700 1.000 H44 H -0.42100 3.58900 1.47000 1.000 H45 H -0.97200 5.25600 -0.28200 1.000 H46 H 0.11100 3.99500 -0.91800 1.000 H47 H -1.62400 3.95800 -1.31100 1.000 H48 H -2.38100 -1.49100 1.52300 1.000 H49 H -3.85400 -2.24400 2.17800 1.000 H50 H -3.04500 -2.95500 0.76100 1.000 H51 H -0.15500 -2.73700 -0.04500 1.000 H52 H -1.84400 -2.64000 -0.59900 1.000 H53 H -0.41000 -3.31100 -2.38600 1.000 H54 H -0.95600 -1.77400 -2.71100 1.000 H55 H 3.84500 -2.38300 -1.74300 1.000