# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0HH' 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 -5.51100 3.76500 1.77900 1.000 C1 C -4.94000 4.03600 0.45200 1.000 C2 C -5.97100 4.72000 -0.40800 1.000 O3 O -7.14300 4.64200 -0.12400 1.000 C4 C -4.52400 2.71700 -0.20200 1.000 C5 C -3.39000 2.08200 0.60500 1.000 C6 C -2.98000 0.78300 -0.04000 1.000 O7 O -3.54000 0.40200 -1.04600 1.000 O8 O -5.58800 5.41600 -1.48900 1.000 N9 N -1.99100 0.04500 0.50200 1.000 C10 C -1.59200 -1.21800 -0.12500 1.000 C11 C -0.14200 -1.53600 0.24500 1.000 S12 S 0.93800 -0.20200 -0.34200 1.000 C13 C -2.49000 -2.32600 0.36300 1.000 O14 O -3.37500 -2.08400 1.15600 1.000 C15 C 2.58600 -0.75100 0.18200 1.000 C16 C 3.62800 0.28300 -0.24600 1.000 C17 C 5.01800 -0.18000 0.19600 1.000 C18 C 6.06100 0.85500 -0.23200 1.000 C19 C 7.45000 0.39200 0.21000 1.000 C20 C 8.49300 1.42700 -0.21800 1.000 C21 C 9.88200 0.96400 0.22400 1.000 C22 C 10.92500 1.99800 -0.20400 1.000 C23 C 12.31400 1.53500 0.23800 1.000 N24 N -2.30900 -3.58500 -0.08200 1.000 C25 C -3.18100 -4.66200 0.39200 1.000 C26 C -2.77200 -5.96100 -0.25300 1.000 O27 O -1.84600 -5.98500 -1.02900 1.000 O28 O -3.43500 -7.09200 0.03500 1.000 H29 H -5.73400 4.62500 2.25800 1.000 H30 H -6.32100 3.16900 1.70900 1.000 H31 H -4.06800 4.68100 0.55600 1.000 H32 H -5.37700 2.03800 -0.22600 1.000 H33 H -4.18400 2.90800 -1.22000 1.000 H34 H -2.53700 2.76100 0.62800 1.000 H35 H -3.73000 1.89200 1.62300 1.000 H36 H -6.28500 5.83800 -2.01000 1.000 H37 H -1.54200 0.35000 1.30600 1.000 H38 H -1.68000 -1.13000 -1.20800 1.000 H39 H -0.05500 -1.62400 1.32800 1.000 H40 H 0.15400 -2.47500 -0.22100 1.000 H41 H 2.60500 -0.85900 1.26700 1.000 H42 H 2.81400 -1.71100 -0.28200 1.000 H43 H 3.60900 0.39100 -1.33000 1.000 H44 H 3.40000 1.24300 0.21900 1.000 H45 H 5.03700 -0.28700 1.28100 1.000 H46 H 5.24600 -1.13900 -0.26800 1.000 H47 H 6.04100 0.96300 -1.31600 1.000 H48 H 5.83200 1.81400 0.23300 1.000 H49 H 7.46900 0.28400 1.29500 1.000 H50 H 7.67800 -0.56700 -0.25400 1.000 H51 H 8.47400 1.53500 -1.30200 1.000 H52 H 8.26500 2.38600 0.24700 1.000 H53 H 9.90100 0.85600 1.30900 1.000 H54 H 10.11000 0.00400 -0.24000 1.000 H55 H 10.90600 2.10600 -1.28800 1.000 H56 H 10.69700 2.95800 0.26100 1.000 H57 H 12.33400 1.42700 1.32300 1.000 H58 H 12.54300 0.57600 -0.22600 1.000 H59 H 13.05700 2.27300 -0.06700 1.000 H60 H -1.60100 -3.77800 -0.71600 1.000 H61 H -3.09400 -4.75000 1.47500 1.000 H62 H -4.21400 -4.43500 0.12800 1.000 H63 H -3.13600 -7.90000 -0.40300 1.000