# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '03C' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N -5.08400 0.20900 -0.13200 1.000 C1 C -6.47400 0.11800 0.02300 1.000 C2 C -4.19700 -0.78300 0.10600 1.000 N3 N -4.38200 1.33900 -0.56400 1.000 C4 C -7.16200 1.10000 0.72400 1.000 C5 C -7.16700 -0.95000 -0.53000 1.000 C6 C -2.92800 -0.27100 -0.17200 1.000 N7 N -4.49000 -2.05700 0.54300 1.000 C8 C -3.10700 1.07000 -0.59000 1.000 C9 C -8.53100 1.00800 0.87400 1.000 C10 C -6.41400 2.26400 1.32100 1.000 C11 C -8.53700 -1.03700 -0.37700 1.000 C12 C -1.65400 -0.98800 -0.05800 1.000 C13 C -9.21800 -0.06100 0.32700 1.000 C14 C -0.40300 -0.34800 -0.51800 1.000 O15 O -1.62700 -2.10800 0.41700 1.000 C16 C 0.81700 -0.69400 0.06500 1.000 C17 C -0.43500 0.59900 -1.54200 1.000 C18 C 1.98100 -0.09500 -0.36900 1.000 C19 C 0.73600 1.19200 -1.96800 1.000 C20 C 3.29900 -0.46700 0.25900 1.000 C21 C 1.94100 0.84800 -1.38200 1.000 C22 C 4.23300 -1.03500 -0.81200 1.000 C23 C 3.93500 0.77600 0.88500 1.000 C24 C 5.55800 -1.44500 -0.16400 1.000 C25 C 5.25800 0.38700 1.55300 1.000 N26 N 6.10600 -0.29100 0.56300 1.000 S27 S 7.64900 0.23400 0.27300 1.000 O28 O 8.03600 0.87100 1.48300 1.000 O29 O 8.33000 -0.92100 -0.19700 1.000 C30 C 7.46900 1.45300 -1.05900 1.000 H31 H -6.63600 -1.71300 -1.08000 1.000 H32 H -5.41300 -2.33600 0.64000 1.000 H33 H -3.77100 -2.67500 0.75200 1.000 H34 H -2.32200 1.75200 -0.88200 1.000 H35 H -9.06700 1.77100 1.41900 1.000 H36 H -6.43600 3.10400 0.62600 1.000 H37 H -6.88600 2.55600 2.25900 1.000 H38 H -5.38000 1.97400 1.50800 1.000 H39 H -9.07700 -1.86800 -0.80600 1.000 H40 H -10.28900 -0.13100 0.44700 1.000 H41 H 0.85000 -1.43000 0.85600 1.000 H42 H -1.37500 0.86800 -2.00100 1.000 H43 H 0.71200 1.92500 -2.76000 1.000 H44 H 3.13400 -1.21900 1.03100 1.000 H45 H 2.85500 1.31400 -1.71800 1.000 H46 H 3.76900 -1.90700 -1.27400 1.000 H47 H 4.41800 -0.27600 -1.57200 1.000 H48 H 4.12400 1.51800 0.11000 1.000 H49 H 3.26000 1.19300 1.63200 1.000 H50 H 5.38700 -2.26700 0.53100 1.000 H51 H 6.26200 -1.75700 -0.93600 1.000 H52 H 5.76200 1.28300 1.91400 1.000 H53 H 5.06100 -0.28600 2.38800 1.000 H54 H 6.82000 2.26200 -0.72500 1.000 H55 H 8.44800 1.85600 -1.31700 1.000 H56 H 7.03200 0.97200 -1.93400 1.000