# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '916' 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 -2.71400 -2.27300 0.20600 1.000 C1 C -2.95300 -1.76400 -0.86900 1.000 C2 C -2.85200 -2.58400 -2.12900 1.000 N3 N -3.31500 -0.46800 -0.93500 1.000 C4 C -3.41900 0.32700 0.29100 1.000 C5 C -4.46200 -0.30100 1.21900 1.000 C6 C -5.82100 -0.22000 0.57500 1.000 C7 C -6.26400 -1.24700 -0.23800 1.000 C8 C -7.51100 -1.17200 -0.82900 1.000 C9 C -8.31600 -0.07000 -0.60900 1.000 C10 C -7.87400 0.95700 0.20400 1.000 C11 C -6.62900 0.88000 0.80000 1.000 C12 C -2.06200 0.35800 0.99600 1.000 O13 O -2.16400 1.13300 2.19200 1.000 C14 C -1.02000 0.98500 0.06900 1.000 N15 N 0.30600 0.90600 0.69700 1.000 C16 C 1.35100 1.38700 -0.21700 1.000 C17 C 1.48700 2.90900 -0.09600 1.000 C18 C 2.76900 3.35700 -0.80500 1.000 C19 C 2.84400 4.88500 -0.80800 1.000 C20 C 2.76200 2.84200 -2.24600 1.000 C21 C 2.69000 0.76500 0.16000 1.000 C22 C 2.86900 -0.57100 0.50200 1.000 C23 C 4.11500 -0.92600 0.80100 1.000 S24 S 5.17800 0.46700 0.66200 1.000 C25 C 3.83200 1.49000 0.18900 1.000 O26 O 3.90100 2.82100 -0.11000 1.000 C27 C 4.54900 -2.31300 1.19900 1.000 C28 C 4.93800 -3.10400 -0.05100 1.000 C29 C 3.73400 -3.19700 -0.99000 1.000 C30 C 6.08900 -2.39500 -0.76700 1.000 C31 C 5.37900 -4.51200 0.35300 1.000 H32 H -2.55400 -3.60100 -1.87800 1.000 H33 H -3.82000 -2.60200 -2.63000 1.000 H34 H -2.10900 -2.14000 -2.79200 1.000 H35 H -3.50700 -0.06100 -1.79400 1.000 H36 H -3.72200 1.34400 0.04100 1.000 H37 H -4.20600 -1.34500 1.39800 1.000 H38 H -4.47600 0.23800 2.16700 1.000 H39 H -5.63500 -2.10800 -0.41000 1.000 H40 H -7.85600 -1.97500 -1.46400 1.000 H41 H -9.29000 -0.01200 -1.07100 1.000 H42 H -8.50200 1.81800 0.37600 1.000 H43 H -6.28300 1.68200 1.43500 1.000 H44 H -1.76000 -0.65900 1.24700 1.000 H45 H -2.42900 2.05100 2.04500 1.000 H46 H -1.00500 0.44700 -0.87900 1.000 H47 H -1.27500 2.03000 -0.11100 1.000 H48 H 0.32500 1.41600 1.56700 1.000 H49 H 1.09500 1.12000 -1.24200 1.000 H50 H 0.62600 3.38900 -0.56000 1.000 H51 H 1.53700 3.18800 0.95700 1.000 H52 H 2.85100 5.25100 0.21800 1.000 H53 H 3.75600 5.20300 -1.31400 1.000 H54 H 1.97900 5.29100 -1.33200 1.000 H55 H 1.89700 3.24500 -2.77200 1.000 H56 H 3.67500 3.16200 -2.75000 1.000 H57 H 2.71100 1.75300 -2.24300 1.000 H58 H 2.05000 -1.27400 0.52300 1.000 H59 H 5.40700 -2.24700 1.86800 1.000 H60 H 3.72900 -2.81900 1.70900 1.000 H61 H 4.01000 -3.76100 -1.88100 1.000 H62 H 2.91300 -3.70300 -0.48100 1.000 H63 H 3.41900 -2.19400 -1.27800 1.000 H64 H 6.94700 -2.32900 -0.09700 1.000 H65 H 6.36600 -2.95900 -1.65800 1.000 H66 H 5.77500 -1.39200 -1.05500 1.000 H67 H 6.23700 -4.44600 1.02200 1.000 H68 H 4.55900 -5.01800 0.86300 1.000 H69 H 5.65600 -5.07600 -0.53800 1.000