# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0JJ' 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 3.88200 -4.28400 1.44300 1.000 C1 C 4.31500 -3.07500 0.65400 1.000 C2 C 3.55000 -1.93500 0.63800 1.000 N3 N 5.42500 -3.08600 -0.02400 1.000 S4 S 5.58100 -1.57200 -0.77500 1.000 C5 C 4.07000 -0.91300 -0.12500 1.000 C6 C 3.49600 0.43100 -0.35100 1.000 C7 C 4.18100 1.35300 -1.17300 1.000 C8 C 3.66200 2.59100 -1.38700 1.000 N9 N 2.35000 0.75200 0.21200 1.000 N10 N 1.79300 2.01600 0.00900 1.000 C11 C 2.43900 2.93700 -0.78100 1.000 N12 N 1.68900 4.02700 -0.79100 1.000 N13 N 0.64300 3.82900 -0.06800 1.000 C14 C 0.66400 2.62200 0.43900 1.000 C15 C -0.38300 2.01600 1.33800 1.000 N16 N -1.39800 1.34400 0.52200 1.000 C17 C -2.46900 0.70900 1.13300 1.000 C18 C -2.60000 0.69700 2.51200 1.000 C19 C -3.68300 0.05300 3.09600 1.000 N20 N -4.59800 -0.55200 2.37500 1.000 C21 C -4.53400 -0.57900 1.04000 1.000 C22 C -5.52200 -1.23200 0.28000 1.000 C23 C -3.46600 0.05800 0.36400 1.000 N24 N -3.40200 0.03600 -0.96700 1.000 C25 C -4.31700 -0.56300 -1.68800 1.000 C26 C -5.39800 -1.22400 -1.09400 1.000 O27 O -6.33200 -1.83600 -1.86800 1.000 C28 C -6.14900 -1.76600 -3.28300 1.000 H29 H 3.26900 -4.92800 0.81300 1.000 H30 H 4.76200 -4.83300 1.77800 1.000 H31 H 3.30300 -3.96400 2.30900 1.000 H32 H 2.61900 -1.84800 1.17800 1.000 H33 H 5.11800 1.07500 -1.63100 1.000 H34 H 4.18200 3.30000 -2.01400 1.000 H35 H 0.08500 1.29200 2.00400 1.000 H36 H -0.85400 2.80200 1.92900 1.000 H37 H -1.32100 1.34400 -0.44400 1.000 H38 H -1.86200 1.18600 3.13000 1.000 H39 H -3.77400 0.05100 4.17200 1.000 H40 H -6.35500 -1.72600 0.75900 1.000 H41 H -4.22900 -0.55700 -2.76500 1.000 H42 H -6.14600 -0.72300 -3.59900 1.000 H43 H -5.19800 -2.22900 -3.55000 1.000 H44 H -6.96200 -2.29400 -3.78100 1.000