# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C58' 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 -2.88200 0.43600 -0.01900 1.000 N1 N -3.10300 -0.37000 1.18900 1.000 S2 S 3.92600 -2.53300 -0.08200 1.000 C3 C -1.42300 0.89400 -0.06700 1.000 N4 N -0.54200 -0.27300 0.02600 1.000 C5 C 0.83100 -0.10700 0.00400 1.000 N6 N 1.36100 1.10500 0.00900 1.000 C7 C 2.67800 1.27800 -0.01300 1.000 N8 N 3.51800 0.25900 -0.04100 1.000 C9 C 3.06900 -1.00100 -0.04800 1.000 N10 N 4.22600 5.20400 0.00700 1.000 C11 C 1.69400 -1.23500 -0.02400 1.000 C12 C 1.36600 -2.65500 -0.03300 1.000 C13 C 2.43300 -3.45600 -0.06200 1.000 C14 C 2.36500 -4.97300 -0.07800 1.000 C15 C 0.96600 -5.40900 0.36300 1.000 C16 C -0.07500 -4.63400 -0.45100 1.000 C17 C -0.06800 -3.17000 -0.00900 1.000 C18 C 3.22300 2.65800 -0.00600 1.000 C19 C 4.60100 2.88600 -0.02800 1.000 C20 C 5.06500 4.18700 -0.02000 1.000 C21 C 2.91900 5.03200 0.02900 1.000 C22 C 2.37000 3.76600 0.02300 1.000 C23 C -3.80000 1.66000 0.00900 1.000 C24 C -5.23700 1.21200 -0.06800 1.000 C25 C -5.94100 0.94600 1.09100 1.000 C26 C -7.25900 0.53500 1.02100 1.000 C27 C -7.87300 0.39200 -0.20900 1.000 C28 C -7.16900 0.65900 -1.36900 1.000 C29 C -5.85200 1.07400 -1.29800 1.000 H30 H -3.10400 -0.16400 -0.90200 1.000 H31 H -2.55600 -1.21700 1.16400 1.000 H32 H -2.90500 0.16500 2.02100 1.000 H33 H -1.23600 1.41600 -1.00500 1.000 H34 H -1.22500 1.56600 0.76800 1.000 H35 H -0.92200 -1.16300 0.10400 1.000 H36 H 2.56000 -5.33800 -1.08600 1.000 H37 H 3.10700 -5.37900 0.61000 1.000 H38 H 0.84400 -6.47800 0.18800 1.000 H39 H 0.83400 -5.19400 1.42400 1.000 H40 H 0.17100 -4.69500 -1.51000 1.000 H41 H -1.06300 -5.06100 -0.28000 1.000 H42 H -0.46600 -3.09200 1.00300 1.000 H43 H -0.67900 -2.57900 -0.69000 1.000 H44 H 5.29400 2.05800 -0.05000 1.000 H45 H 6.12900 4.37300 -0.03700 1.000 H46 H 2.26900 5.89400 0.05200 1.000 H47 H 1.29900 3.63300 0.04100 1.000 H48 H -3.64000 2.21200 0.93500 1.000 H49 H -3.57300 2.30300 -0.84100 1.000 H50 H -5.46100 1.05800 2.05200 1.000 H51 H -7.80900 0.32700 1.92600 1.000 H52 H -8.90300 0.07000 -0.26500 1.000 H53 H -7.64900 0.54700 -2.33000 1.000 H54 H -5.30400 1.28600 -2.20400 1.000