# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9R3' 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 -10.57000 -1.64600 0.29400 1.000 C1 C -9.77800 -0.56200 0.41400 1.000 O2 O -10.26000 0.51200 0.72000 1.000 C3 C -8.32900 -0.67700 0.17500 1.000 C4 C -7.77000 -1.91300 -0.18400 1.000 C5 C -6.43700 -2.02800 -0.40600 1.000 C6 C -5.58300 -0.90800 -0.28200 1.000 N7 N -4.25300 -0.84400 -0.46400 1.000 C8 C -7.50700 0.44200 0.29800 1.000 C9 C -6.14200 0.32600 0.07600 1.000 S10 S -4.85100 1.52200 0.15200 1.000 C11 C -3.67200 0.29700 -0.29500 1.000 N12 N -2.32100 0.52100 -0.44300 1.000 C13 C -1.74800 1.10600 0.77600 1.000 C14 C -1.62000 -0.71200 -0.82100 1.000 C15 C -0.15200 -0.39700 -1.11600 1.000 C16 C -0.07100 0.61200 -2.26400 1.000 C17 C -0.82700 1.88500 -1.87700 1.000 C18 C -0.20300 2.48800 -0.61700 1.000 C19 C -0.28300 1.47400 0.52700 1.000 C20 C 0.49200 0.21200 0.13400 1.000 O21 O 1.85100 0.55200 -0.14500 1.000 C22 C 2.71400 0.47600 0.99200 1.000 C23 C 4.11500 0.85300 0.58500 1.000 C24 C 4.64800 2.09200 0.48100 1.000 C25 C 3.94800 3.39800 0.75500 1.000 C26 C 3.84700 4.40000 -0.39600 1.000 C27 C 4.80200 4.66800 0.76800 1.000 O28 O 5.92000 1.93200 0.08800 1.000 C29 C 5.18700 -0.01200 0.22600 1.000 N30 N 6.20400 0.76600 -0.05300 1.000 C31 C 5.15700 -1.49400 0.17400 1.000 C32 C 5.45400 -2.15900 -1.01500 1.000 Cl33 Cl 5.85400 -1.25400 -2.44100 1.000 C34 C 5.43000 -3.54000 -1.05500 1.000 C35 C 5.11200 -4.26200 0.08100 1.000 C36 C 4.81700 -3.60800 1.26300 1.000 C37 C 4.83800 -2.22800 1.31600 1.000 Cl38 Cl 4.47300 -1.40900 2.80300 1.000 H39 H -11.51400 -1.52100 0.46100 1.000 H40 H -8.40700 -2.77900 -0.28300 1.000 H41 H -6.02300 -2.98700 -0.68100 1.000 H42 H -7.93100 1.39700 0.56900 1.000 H43 H -2.30600 2.00300 1.04600 1.000 H44 H -1.80800 0.38300 1.58900 1.000 H45 H -1.68100 -1.43000 -0.00300 1.000 H46 H -2.08600 -1.13600 -1.71100 1.000 H47 H 0.37200 -1.31300 -1.38800 1.000 H48 H 0.97300 0.85500 -2.46200 1.000 H49 H -0.52000 0.18100 -3.15900 1.000 H50 H -0.76600 2.60500 -2.69300 1.000 H51 H -1.87200 1.64200 -1.68400 1.000 H52 H 0.84000 2.73600 -0.81100 1.000 H53 H -0.74600 3.39200 -0.34000 1.000 H54 H 0.14500 1.90800 1.43100 1.000 H55 H 0.45400 -0.50900 0.95100 1.000 H56 H 2.36200 1.16300 1.76200 1.000 H57 H 2.71100 -0.54100 1.38400 1.000 H58 H 3.11200 3.34600 1.45200 1.000 H59 H 4.28600 4.11500 -1.35200 1.000 H60 H 2.94400 5.00800 -0.45700 1.000 H61 H 4.52700 5.45100 1.47500 1.000 H62 H 5.87000 4.55800 0.57900 1.000 H63 H 5.66000 -4.05600 -1.97500 1.000 H64 H 5.09500 -5.34200 0.04500 1.000 H65 H 4.56900 -4.17800 2.14700 1.000