# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0WW' 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 -3.75300 1.69800 0.71300 1.000 N1 N -3.12200 0.96900 -0.39500 1.000 C2 C -2.24200 -0.09400 0.10700 1.000 C3 C -1.60500 -0.82900 -1.07400 1.000 C4 C -0.70200 -1.92100 -0.55900 1.000 C5 C -1.20700 -3.19900 -0.33800 1.000 N6 N -2.51100 -3.49500 -0.57700 1.000 C7 C -2.98800 -4.68400 -0.37300 1.000 N8 N -2.23900 -5.72100 0.08900 1.000 C9 C -0.92500 -5.55400 0.36600 1.000 C10 C -0.35100 -4.21900 0.14600 1.000 C11 C 0.98800 -3.95100 0.40200 1.000 C12 C 1.48500 -2.67000 0.17900 1.000 C13 C 0.63200 -1.65800 -0.30900 1.000 N14 N 1.41400 -0.52100 -0.42200 1.000 C15 C 2.67600 -0.85200 -0.01500 1.000 N16 N 2.71700 -2.11300 0.33200 1.000 N17 N 3.74800 0.01300 0.01900 1.000 C18 C 3.57900 1.40600 -0.40200 1.000 O19 O -0.24500 -6.47400 0.78100 1.000 C20 C -4.66000 2.79500 0.15200 1.000 C21 C -5.41200 3.47200 1.30000 1.000 C22 C -6.31800 4.56900 0.73800 1.000 C23 C -5.46800 5.60700 0.00400 1.000 C24 C -4.71600 4.93000 -1.14400 1.000 C25 C -3.80900 3.83300 -0.58300 1.000 S26 S 5.43800 2.98900 1.16600 1.000 C27 C 6.93800 3.43900 0.36500 1.000 C28 C 6.94800 2.94700 -0.87500 1.000 C29 C 5.81900 2.22700 -1.22600 1.000 C30 C 4.89200 2.13400 -0.27100 1.000 H31 H -4.34700 1.00700 1.31100 1.000 H32 H -2.98100 2.14800 1.33800 1.000 H33 H -3.81700 0.59600 -1.02500 1.000 H34 H -1.46000 0.34300 0.72700 1.000 H35 H -2.82600 -0.79800 0.70100 1.000 H36 H -2.38700 -1.26700 -1.69400 1.000 H37 H -1.02200 -0.12600 -1.66800 1.000 H38 H -4.03300 -4.86000 -0.58100 1.000 H39 H -2.65100 -6.58900 0.22200 1.000 H40 H 1.63800 -4.73000 0.77200 1.000 H41 H 1.12000 0.35000 -0.73200 1.000 H42 H 4.61500 -0.30000 0.32100 1.000 H43 H 3.25100 1.43500 -1.44100 1.000 H44 H 2.83200 1.88800 0.22800 1.000 H45 H -5.37600 2.35500 -0.54200 1.000 H46 H -6.01700 2.73200 1.82300 1.000 H47 H -4.69600 3.91200 1.99400 1.000 H48 H -7.03500 4.12900 0.04500 1.000 H49 H -6.85400 5.05100 1.55600 1.000 H50 H -6.11400 6.38900 -0.39600 1.000 H51 H -4.75200 6.04700 0.69700 1.000 H52 H -5.43200 4.49000 -1.83800 1.000 H53 H -4.11000 5.67000 -1.66800 1.000 H54 H -3.09300 4.27300 0.11100 1.000 H55 H -3.27400 3.35100 -1.40100 1.000 H56 H 7.73000 4.02400 0.80900 1.000 H57 H 7.77400 3.10000 -1.55400 1.000 H58 H 5.69700 1.77600 -2.19900 1.000