# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0TT' 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 5.93700 3.55000 -0.53000 1.000 C1 C 6.58500 2.28100 -0.64300 1.000 C2 C 6.11000 1.36300 0.48500 1.000 O3 O 4.72900 0.98900 0.28100 1.000 C4 C 6.88800 0.02900 0.45700 1.000 O5 O 7.95200 0.05000 1.41100 1.000 C6 C 5.83300 -1.03000 0.84600 1.000 C7 C 4.54100 -0.21000 1.06300 1.000 N8 N 3.37700 -0.95600 0.58000 1.000 C9 C 2.31700 -1.32900 1.51900 1.000 C10 C 3.29300 -1.28400 -0.72000 1.000 O11 O 4.23400 -1.04800 -1.45300 1.000 N12 N 2.19500 -1.86700 -1.22900 1.000 C13 C 1.05200 -1.92900 -0.52200 1.000 O14 O 0.09600 -2.52800 -0.96500 1.000 C15 C 0.95900 -1.24100 0.82000 1.000 C16 C -0.09600 -1.93900 1.68000 1.000 C17 C 0.56600 0.22400 0.61700 1.000 C18 C -0.77000 0.29400 -0.07600 1.000 C19 C -1.90600 0.42700 0.64000 1.000 C20 C -0.84900 0.22900 -1.48800 1.000 O21 O 0.16300 0.11400 -2.15600 1.000 N22 N -2.05600 0.29400 -2.08700 1.000 C23 C -3.17400 0.42100 -1.34800 1.000 O24 O -4.25500 0.47900 -1.90100 1.000 N25 N -3.11100 0.49000 -0.00500 1.000 C26 C -4.34500 0.63300 0.77200 1.000 O27 O -5.28500 -0.40400 0.41700 1.000 C28 C -5.05800 1.95400 0.41000 1.000 C29 C -6.56000 1.59300 0.44900 1.000 O30 O -7.23600 2.36900 1.44000 1.000 C31 C -6.57600 0.09600 0.83100 1.000 C32 C -7.69400 -0.63300 0.08200 1.000 O33 O -7.71900 -2.00500 0.48100 1.000 H34 H 6.19200 4.18400 -1.21400 1.000 H35 H 6.33800 1.83200 -1.60500 1.000 H36 H 7.66400 2.41600 -0.57200 1.000 H37 H 6.23300 1.85500 1.45000 1.000 H38 H 7.27700 -0.16500 -0.54300 1.000 H39 H 8.47400 -0.76300 1.43600 1.000 H40 H 5.69700 -1.74900 0.03800 1.000 H41 H 6.12300 -1.53900 1.76500 1.000 H42 H 4.42200 0.03900 2.11800 1.000 H43 H 2.48200 -2.34900 1.86600 1.000 H44 H 2.33200 -0.64900 2.37100 1.000 H45 H 2.22700 -2.24900 -2.12000 1.000 H46 H 0.18500 -2.98200 1.82500 1.000 H47 H -0.16300 -1.44200 2.64800 1.000 H48 H -1.06300 -1.89000 1.17900 1.000 H49 H 0.49900 0.71900 1.58600 1.000 H50 H 1.32000 0.72100 0.00600 1.000 H51 H -1.86500 0.48200 1.71800 1.000 H52 H -2.11800 0.25000 -3.05400 1.000 H53 H -4.12600 0.59800 1.83900 1.000 H54 H -4.83200 2.72500 1.14600 1.000 H55 H -4.77100 2.28200 -0.58900 1.000 H56 H -7.01500 1.74400 -0.53000 1.000 H57 H -7.20500 3.32200 1.28200 1.000 H58 H -6.70100 -0.02000 1.90700 1.000 H59 H -8.65100 -0.16900 0.31800 1.000 H60 H -7.51400 -0.56900 -0.99100 1.000 H61 H -8.40500 -2.52900 0.04500 1.000