# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90W' 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 6.43700 -1.31000 -1.06400 1.000 C1 C 7.13200 -2.67100 -0.99200 1.000 C2 C 8.39600 -2.55400 -0.13900 1.000 O3 O 9.04500 -3.82500 -0.07100 1.000 C4 C 8.01900 -2.09800 1.27300 1.000 C5 C 7.32400 -0.73700 1.20000 1.000 C6 C 6.06000 -0.85400 0.34700 1.000 N7 N 5.39500 0.44900 0.27800 1.000 C8 C 4.07000 0.51800 0.04100 1.000 O9 O 3.42700 -0.50200 -0.11600 1.000 C10 C 3.39800 1.83400 -0.03000 1.000 C11 C 2.02700 1.90700 -0.27500 1.000 C12 C 4.13400 3.00600 0.15500 1.000 C13 C 3.50400 4.23300 0.09000 1.000 C14 C 2.14700 4.30600 -0.15700 1.000 C15 C 1.40500 3.14500 -0.33800 1.000 N16 N 0.03200 3.22400 -0.58900 1.000 C17 C -0.79500 2.17600 -0.24200 1.000 S18 S -2.45500 2.07200 -0.63600 1.000 N19 N -0.41800 1.12400 0.42700 1.000 C20 C -1.32600 0.21500 0.67600 1.000 C21 C -2.56500 0.51500 0.18200 1.000 C22 C -3.76600 -0.30900 0.30700 1.000 O23 O -3.71500 -1.37300 0.89700 1.000 N24 N -4.92900 0.10800 -0.23100 1.000 C25 C -6.10200 -0.62200 -0.01300 1.000 C26 C -6.13200 -1.98700 -0.27300 1.000 Cl27 Cl -4.71300 -2.78900 -0.87000 1.000 C28 C -7.29300 -2.70400 -0.05600 1.000 C29 C -8.42400 -2.06500 0.42000 1.000 C30 C -8.39700 -0.70800 0.67900 1.000 C31 C -7.23800 0.01500 0.46900 1.000 C32 C -7.20900 1.49300 0.75900 1.000 H33 H 7.11200 -0.58100 -1.51300 1.000 H34 H 5.53600 -1.39300 -1.67200 1.000 H35 H 6.45700 -3.40000 -0.54300 1.000 H36 H 7.40100 -2.99600 -1.99700 1.000 H37 H 9.07100 -1.82500 -0.58700 1.000 H38 H 9.85600 -3.82500 0.45600 1.000 H39 H 7.34400 -2.82700 1.72100 1.000 H40 H 8.92000 -2.01400 1.88000 1.000 H41 H 7.05500 -0.41200 2.20500 1.000 H42 H 7.99900 -0.00800 0.75100 1.000 H43 H 5.38500 -1.58300 0.79600 1.000 H44 H 5.90800 1.26300 0.40200 1.000 H45 H 1.45200 1.00400 -0.41500 1.000 H46 H 5.19500 2.95300 0.34900 1.000 H47 H 4.07500 5.13800 0.23400 1.000 H48 H 1.66000 5.26900 -0.20600 1.000 H49 H -0.34000 4.01700 -1.00700 1.000 H50 H -1.11500 -0.69300 1.22300 1.000 H51 H -4.95300 0.91500 -0.76900 1.000 H52 H -7.31700 -3.76500 -0.25800 1.000 H53 H -9.33000 -2.62800 0.58800 1.000 H54 H -9.28200 -0.21200 1.05100 1.000 H55 H -7.50200 2.04500 -0.13500 1.000 H56 H -7.90300 1.71900 1.56900 1.000 H57 H -6.20100 1.78600 1.05200 1.000