# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '04A' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 7.49100 0.57900 0.44700 1.000 O1 O -7.49300 0.58300 -0.44400 1.000 C2 C 11.01800 3.24000 1.83000 1.000 C3 C -11.01000 3.24500 -1.82900 1.000 C4 C 9.89800 3.92500 1.39400 1.000 C5 C 11.36600 2.03900 1.24100 1.000 C6 C -11.36600 2.04800 -1.23600 1.000 C7 C -9.88100 3.91900 -1.40300 1.000 C8 C 9.12500 3.40500 0.37300 1.000 C9 C 10.59500 1.52300 0.21600 1.000 C10 C -10.59600 1.52900 -0.21200 1.000 C11 C -9.11100 3.39900 -0.37900 1.000 C12 C 1.40900 -2.32900 -0.15900 1.000 C13 C -1.41200 -2.32900 0.15700 1.000 C14 C 2.69800 -3.14000 -0.30400 1.000 C15 C -2.70200 -3.14000 0.30100 1.000 C16 C 8.63000 1.63800 -1.32900 1.000 C17 C -8.63100 1.63900 1.33400 1.000 N18 N 4.58100 -1.72800 0.53900 1.000 N19 N -4.58400 -1.72500 -0.54000 1.000 N20 N 5.52700 -0.95300 0.22300 1.000 N21 N -5.52900 -0.95100 -0.22200 1.000 N22 N 6.68800 0.12500 -1.57100 1.000 N23 N -6.69000 0.12400 1.57300 1.000 S24 S -0.00200 -3.45800 -0.00200 1.000 S25 S 4.52100 -1.55300 -1.94000 1.000 S26 S -4.52400 -1.55500 1.93900 1.000 C27 C 7.56300 0.74300 -0.75300 1.000 C28 C -7.56400 0.74500 0.75700 1.000 C29 C 9.47000 2.20100 -0.21200 1.000 C30 C -9.47000 2.20500 0.21800 1.000 C31 C 3.87000 -2.20200 -0.43400 1.000 C32 C -3.87400 -2.20200 0.43300 1.000 C33 C 5.70300 -0.70100 -1.03900 1.000 C34 C -5.70600 -0.70100 1.04000 1.000 H35 H 11.62200 3.64600 2.62700 1.000 H36 H -11.61300 3.65200 -2.62800 1.000 H37 H 9.62800 4.86500 1.85100 1.000 H38 H 12.24100 1.50500 1.58100 1.000 H39 H -12.24600 1.52000 -1.57100 1.000 H40 H -9.60000 4.85200 -1.87000 1.000 H41 H 8.25000 3.94000 0.03300 1.000 H42 H 10.86800 0.58400 -0.24400 1.000 H43 H -10.87400 0.59400 0.25200 1.000 H44 H -8.22900 3.92600 -0.04600 1.000 H45 H 1.47300 -1.70100 0.73000 1.000 H46 H 1.27500 -1.70000 -1.03900 1.000 H47 H -1.47600 -1.69900 -0.73100 1.000 H48 H -1.27800 -1.70100 1.03800 1.000 H49 H 2.83200 -3.76900 0.57600 1.000 H50 H 2.63400 -3.76800 -1.19300 1.000 H51 H -2.83600 -3.76700 -0.58100 1.000 H52 H -2.63800 -3.76900 1.18800 1.000 H53 H 9.26200 1.06100 -2.00400 1.000 H54 H 8.16100 2.45400 -1.87900 1.000 H55 H -9.26400 1.06100 2.00700 1.000 H56 H -8.16200 2.45400 1.88600 1.000 H57 H 6.74400 0.25700 -2.53000 1.000 H58 H -6.74700 0.25300 2.53300 1.000