# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '033' 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 10.94400 -0.74700 0.40100 1.000 C1 C 9.84000 -1.03800 1.15200 1.000 C2 C 8.57200 -0.69200 0.68100 1.000 C3 C 8.43300 -0.04800 -0.56300 1.000 C4 C 9.57000 0.23800 -1.30900 1.000 C5 C 10.81300 -0.11200 -0.82500 1.000 C6 C -7.68400 -1.87600 0.07200 1.000 C7 C -7.96500 -2.06200 -1.42000 1.000 C8 C -7.53100 -3.24600 0.73600 1.000 C9 C 7.21400 -0.84100 1.20500 1.000 C10 C 6.39000 -0.30200 0.26900 1.000 O11 O 7.11800 0.16500 -0.76600 1.000 C12 C 4.92600 -0.23300 0.37300 1.000 N13 N 4.20600 0.33100 -0.61800 1.000 C14 C 2.82700 0.50100 -0.47000 1.000 O15 O 4.36300 -0.68400 1.35200 1.000 C16 C 1.99300 0.39900 -1.57700 1.000 C17 C 0.63200 0.56200 -1.43300 1.000 C18 C 0.09300 0.83800 -0.17700 1.000 C19 C 0.93100 0.93900 0.93200 1.000 C20 C 2.29200 0.77100 0.78400 1.000 C21 C -1.37100 1.01800 -0.02000 1.000 C22 C -2.02600 0.48900 1.09100 1.000 C23 C -3.38700 0.66300 1.23400 1.000 C24 C -4.10400 1.35200 0.27200 1.000 C25 C -3.46000 1.87900 -0.83300 1.000 C26 C -2.09800 1.71500 -0.98400 1.000 S27 S -5.84300 1.56500 0.45800 1.000 N28 N -6.58100 0.27800 -0.27700 1.000 O29 O -6.17900 2.70200 -0.32500 1.000 O30 O -6.10400 1.41800 1.84700 1.000 C31 C -6.39400 -1.07500 0.25200 1.000 C32 C -5.27200 -1.75400 -0.49000 1.000 O33 O -4.69000 -1.16900 -1.37200 1.000 O34 O -4.92100 -3.01000 -0.17300 1.000 H35 H 11.92600 -1.01400 0.76500 1.000 H36 H 9.94800 -1.53300 2.10600 1.000 H37 H 9.48000 0.73100 -2.26500 1.000 H38 H 11.69400 0.11200 -1.40800 1.000 H39 H -8.51300 -1.34000 0.53400 1.000 H40 H -7.13700 -2.59800 -1.88200 1.000 H41 H -8.88500 -2.63300 -1.54900 1.000 H42 H -8.07500 -1.08600 -1.89300 1.000 H43 H -6.70200 -3.78300 0.27400 1.000 H44 H -7.33000 -3.11400 1.80000 1.000 H45 H -8.45000 -3.81700 0.60800 1.000 H46 H 6.92600 -1.28900 2.14400 1.000 H47 H 4.64600 0.61900 -1.43300 1.000 H48 H 2.41100 0.18900 -2.55100 1.000 H49 H -0.01600 0.48200 -2.29300 1.000 H50 H 0.51600 1.14900 1.90600 1.000 H51 H 2.94200 0.85000 1.64300 1.000 H52 H -1.46800 -0.05200 1.84100 1.000 H53 H -3.89600 0.25400 2.09500 1.000 H54 H -4.02300 2.41900 -1.57900 1.000 H55 H -1.59600 2.12600 -1.84700 1.000 H56 H -7.13800 0.42000 -1.05900 1.000 H57 H -6.14600 -1.01900 1.31200 1.000 H58 H -4.20100 -3.44600 -0.64900 1.000