# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0X0' 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 -1.81500 2.09900 -2.02000 1.000 S1 S -0.51300 1.55000 -1.86500 1.000 O2 O 0.41200 1.42700 -2.93600 1.000 C3 C 0.28700 2.51200 -0.62400 1.000 C4 C -0.46600 3.20700 0.30400 1.000 C5 C 0.16200 3.96200 1.27800 1.000 C6 C 1.54200 4.02200 1.32200 1.000 C7 C 2.22700 4.84500 2.38300 1.000 C8 C 2.29500 3.32600 0.39500 1.000 C9 C 1.66700 2.56800 -0.57600 1.000 N10 N -0.71900 0.02700 -1.24700 1.000 C11 C 0.25600 -1.02400 -1.55100 1.000 C12 C 1.27300 -1.10100 -0.44200 1.000 N13 N 2.27300 -2.00200 -0.50600 1.000 C14 C 3.26200 -2.07800 0.57200 1.000 C15 C 3.86800 -3.48200 0.61100 1.000 C16 C 4.85200 -3.58000 1.77900 1.000 C17 C 2.75300 -4.51400 0.79400 1.000 C18 C 4.36800 -1.05100 0.32200 1.000 C19 C 5.03400 -1.33700 -1.02600 1.000 C20 C 3.76500 0.35500 0.30500 1.000 O21 O 1.19200 -0.35200 0.50900 1.000 C22 C -1.82300 -0.25500 -0.43600 1.000 C23 C -1.94000 0.34400 0.81200 1.000 C24 C -3.03000 0.06500 1.61400 1.000 C25 C -2.80500 -1.13100 -0.87900 1.000 C26 C -3.89700 -1.41000 -0.07500 1.000 O27 O -4.86000 -2.26700 -0.50800 1.000 C28 C -4.68100 -2.84400 -1.80300 1.000 C29 C -4.00800 -0.81200 1.17700 1.000 O30 O -5.08000 -1.08600 1.96900 1.000 C31 C -5.13200 -0.43300 3.23900 1.000 H32 H -1.54400 3.16000 0.26900 1.000 H33 H -0.42600 4.50500 2.00300 1.000 H34 H 3.17700 5.21600 1.99800 1.000 H35 H 1.59100 5.68800 2.65500 1.000 H36 H 2.40700 4.22700 3.26300 1.000 H37 H 3.37300 3.37300 0.43000 1.000 H38 H 2.25500 2.02200 -1.29900 1.000 H39 H -0.25800 -1.98100 -1.64000 1.000 H40 H 0.75900 -0.79300 -2.49000 1.000 H41 H 2.33800 -2.60200 -1.26600 1.000 H42 H 2.77700 -1.86400 1.52500 1.000 H43 H 4.39400 -3.67700 -0.32400 1.000 H44 H 5.64600 -2.84500 1.64900 1.000 H45 H 4.32600 -3.38600 2.71400 1.000 H46 H 5.28300 -4.58100 1.80700 1.000 H47 H 2.10400 -4.50600 -0.08100 1.000 H48 H 3.19200 -5.50500 0.91300 1.000 H49 H 2.17100 -4.26500 1.68100 1.000 H50 H 5.11300 -1.11800 1.11500 1.000 H51 H 5.82200 -0.60500 -1.20500 1.000 H52 H 5.46300 -2.33900 -1.01400 1.000 H53 H 4.28900 -1.27000 -1.82000 1.000 H54 H 4.56500 1.09200 0.23400 1.000 H55 H 3.10100 0.45500 -0.55400 1.000 H56 H 3.20000 0.51900 1.22200 1.000 H57 H -1.17800 1.02800 1.15500 1.000 H58 H -3.11900 0.53200 2.58400 1.000 H59 H -2.71700 -1.59400 -1.85100 1.000 H60 H -4.63600 -2.05200 -2.55000 1.000 H61 H -3.75200 -3.41400 -1.82100 1.000 H62 H -5.51800 -3.50600 -2.02500 1.000 H63 H -4.25600 -0.70900 3.82600 1.000 H64 H -5.14500 0.64700 3.09200 1.000 H65 H -6.03500 -0.73800 3.76800 1.000