# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0IT' 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 2.76500 -1.12700 0.00000 1.000 S1 S 3.95100 -0.06500 -0.87000 1.000 C2 C 3.36400 -2.49500 0.19600 1.000 C3 C 3.17800 -3.47500 -0.76200 1.000 C4 C 3.73100 -4.72900 -0.58400 1.000 C5 C 4.46400 -5.00600 0.55500 1.000 C6 C 4.64600 -4.02900 1.51500 1.000 C7 C 4.09600 -2.77300 1.33500 1.000 O8 O 4.12600 -0.50700 -2.20900 1.000 O9 O 5.07000 0.21700 -0.04000 1.000 N10 N 3.17400 1.38900 -1.01700 1.000 C11 C 2.84200 2.16700 0.18000 1.000 C12 C 2.97200 3.66000 -0.13100 1.000 C13 C 2.36200 4.45200 1.03100 1.000 C14 C 0.85300 4.20800 1.05100 1.000 C15 C 1.43600 1.85400 0.60400 1.000 O16 O 1.07200 0.69700 0.57500 1.000 N17 N 0.56700 2.77900 1.01100 1.000 C18 C -0.75900 2.33200 1.44500 1.000 C19 C -1.69400 2.31200 0.26300 1.000 O20 O -1.29300 2.64000 -0.83300 1.000 N21 N -2.97700 1.93100 0.42500 1.000 C22 C -3.88600 1.91200 -0.72300 1.000 C23 C -4.47100 3.28600 -0.92400 1.000 O24 O -4.16100 4.18800 -0.18300 1.000 C25 C -5.01400 0.91000 -0.46500 1.000 C26 C -4.43200 -0.50200 -0.38600 1.000 C27 C -5.55900 -1.50400 -0.12700 1.000 N28 N -5.00300 -2.85700 -0.05100 1.000 C29 C -5.82800 -3.92400 0.17500 1.000 N30 N -7.13700 -3.73400 0.32600 1.000 N31 N -5.32200 -5.15500 0.24400 1.000 H32 H 1.85200 -1.21100 -0.58900 1.000 H33 H 2.53100 -0.69000 0.97100 1.000 H34 H 2.60200 -3.25900 -1.65000 1.000 H35 H 3.58900 -5.49300 -1.33400 1.000 H36 H 4.89400 -5.98700 0.69500 1.000 H37 H 5.21900 -4.24500 2.40500 1.000 H38 H 4.23900 -2.00900 2.08500 1.000 H39 H 2.93900 1.72700 -1.89500 1.000 H40 H 3.52900 1.90300 0.98500 1.000 H41 H 4.02500 3.92100 -0.24100 1.000 H42 H 2.43800 3.89000 -1.05300 1.000 H43 H 2.79900 4.11700 1.97200 1.000 H44 H 2.55900 5.51500 0.89200 1.000 H45 H 0.43100 4.63400 1.96200 1.000 H46 H 0.39800 4.68800 0.18500 1.000 H47 H -0.68500 1.32900 1.86600 1.000 H48 H -1.14400 3.01600 2.20100 1.000 H49 H -5.16800 3.46400 -1.72900 1.000 H50 H -3.29800 1.66900 1.30200 1.000 H51 H -3.33600 1.61800 -1.61700 1.000 H52 H -5.50700 1.15400 0.47600 1.000 H53 H -5.73700 0.96000 -1.27800 1.000 H54 H -3.93900 -0.74600 -1.32700 1.000 H55 H -3.70800 -0.55200 0.42800 1.000 H56 H -6.05300 -1.26100 0.81400 1.000 H57 H -6.28300 -1.45400 -0.94100 1.000 H58 H -4.04900 -2.99600 -0.16100 1.000 H59 H -7.50600 -2.83800 0.27500 1.000 H60 H -7.72200 -4.49100 0.48600 1.000 H61 H -5.90700 -5.91100 0.40400 1.000 H62 H -4.36800 -5.29300 0.13400 1.000