# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C8W' 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 -3.42000 0.07000 0.36800 1.000 N1 N 5.60300 -1.20900 3.03400 1.000 C2 C 2.19900 2.89800 -1.42300 1.000 C3 C 1.22600 1.90000 -1.62900 1.000 C4 C 0.12800 2.12600 -2.52200 1.000 C5 C 3.37000 1.55600 0.08000 1.000 C6 C 2.45900 0.50400 -0.07000 1.000 C7 C 2.80300 -0.64500 0.74600 1.000 C8 C -0.20600 -2.56700 -2.00800 1.000 C9 C 0.71800 -1.56000 -1.82800 1.000 C10 C 0.36100 -0.39900 -1.14000 1.000 C11 C -0.93400 -0.26100 -0.63400 1.000 C12 C -4.87400 0.03600 0.84200 1.000 O13 O -3.11700 -1.14200 -0.32700 1.000 S14 S 4.64200 1.09500 1.20700 1.000 C15 C 3.92700 -0.48000 1.48900 1.000 C16 C 4.46500 -1.46000 2.35700 1.000 N17 N 2.09100 4.10600 -2.08800 1.000 N18 N 3.20700 2.69700 -0.60000 1.000 N19 N -0.74200 2.30500 -3.22900 1.000 N20 N 2.04900 -1.80900 0.76500 1.000 C21 C -1.85500 -1.27300 -0.81800 1.000 C22 C -1.49200 -2.43000 -1.50600 1.000 C23 C 1.35100 0.68100 -0.94600 1.000 O24 O -2.40200 -3.42300 -1.69100 1.000 C25 C -1.96400 -4.57700 -2.41000 1.000 O26 O 3.89800 -2.53000 2.49200 1.000 C27 C -5.19800 1.33300 1.58600 1.000 C28 C -6.63100 1.29900 2.05300 1.000 O29 O -7.13900 2.33900 2.73300 1.000 O30 O -7.32100 0.33600 1.81600 1.000 H31 H -3.27600 0.91800 -0.30200 1.000 H32 H -2.75900 0.17000 1.22800 1.000 H33 H 6.05400 -0.35700 2.92600 1.000 H34 H 5.97100 -1.88100 3.62900 1.000 H35 H 0.07000 -3.46200 -2.54500 1.000 H36 H 1.71900 -1.66900 -2.22000 1.000 H37 H -1.21400 0.63600 -0.10100 1.000 H38 H -5.53500 -0.06500 -0.01900 1.000 H39 H -5.01800 -0.81300 1.51200 1.000 H40 H 1.34900 4.26100 -2.69300 1.000 H41 H 2.75800 4.79700 -1.95000 1.000 H42 H 1.13900 -1.80400 0.43000 1.000 H43 H 2.43200 -2.62900 1.11500 1.000 H44 H -2.78500 -5.29100 -2.48600 1.000 H45 H -1.64500 -4.28300 -3.41000 1.000 H46 H -1.12900 -5.03900 -1.88300 1.000 H47 H -4.53700 1.43300 2.44700 1.000 H48 H -5.05500 2.18100 0.91600 1.000 H49 H -8.06300 2.27100 3.01200 1.000