# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '90Z' 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 5.30900 -0.97700 1.03700 1.000 C1 C 6.10200 -2.27400 0.90100 1.000 C2 C 5.27300 -3.30200 0.12100 1.000 C3 C 6.31300 -2.84100 2.32300 1.000 N4 N 7.40200 -2.08200 0.29400 1.000 O5 O 8.45900 -1.91700 1.29100 1.000 C6 C 7.55900 -1.17500 -0.82400 1.000 C7 C 7.18600 -1.85600 -2.14700 1.000 C8 C 9.04900 -0.77800 -0.91900 1.000 C9 C 6.75000 0.11000 -0.66700 1.000 C10 C 5.30500 -0.21400 -0.28800 1.000 N11 N 4.55600 1.03800 -0.12200 1.000 C12 C 3.21800 1.05000 -0.28700 1.000 O13 O 2.63200 0.02500 -0.57300 1.000 C14 C 2.46400 2.31100 -0.12000 1.000 C15 C 1.08000 2.32500 -0.28500 1.000 C16 C 3.13600 3.49100 0.20800 1.000 C17 C 2.43000 4.66600 0.36400 1.000 C18 C 1.05800 4.68100 0.19600 1.000 C19 C 0.37900 3.51200 -0.12700 1.000 N20 N -1.00900 3.53100 -0.29100 1.000 C21 C -1.74600 2.38600 -0.06900 1.000 S22 S -3.41700 2.22700 -0.38700 1.000 N23 N -1.26400 1.27400 0.40700 1.000 C24 C -2.09600 0.27600 0.55900 1.000 C25 C -3.38000 0.56000 0.18200 1.000 C26 C -4.51700 -0.35800 0.23700 1.000 O27 O -4.36400 -1.49200 0.65300 1.000 N28 N -5.73400 0.05200 -0.17200 1.000 C29 C -6.84400 -0.78400 -0.01200 1.000 C30 C -6.80300 -2.09400 -0.47700 1.000 Cl31 Cl -5.37400 -2.69400 -1.25900 1.000 C32 C -7.90100 -2.91700 -0.31700 1.000 C33 C -9.04000 -2.43900 0.30600 1.000 C34 C -9.08300 -1.13700 0.77000 1.000 C35 C -7.98700 -0.31000 0.61700 1.000 C36 C -8.03400 1.10700 1.12900 1.000 H37 H 4.28100 -1.20800 1.32500 1.000 H38 H 5.76100 -0.35400 1.81300 1.000 H39 H 4.31600 -3.45100 0.62100 1.000 H40 H 5.10200 -2.93700 -0.89100 1.000 H41 H 5.81200 -4.24800 0.08000 1.000 H42 H 5.34500 -3.03300 2.78500 1.000 H43 H 6.87800 -3.77200 2.26300 1.000 H44 H 6.86500 -2.11900 2.92400 1.000 H45 H 9.34000 -1.78600 0.91300 1.000 H46 H 6.14700 -2.18300 -2.10700 1.000 H47 H 7.31400 -1.15000 -2.96700 1.000 H48 H 7.83300 -2.71900 -2.30600 1.000 H49 H 9.65400 -1.67100 -1.07400 1.000 H50 H 9.19000 -0.09400 -1.75500 1.000 H51 H 9.35400 -0.28900 0.00600 1.000 H52 H 7.19900 0.73000 0.11300 1.000 H53 H 6.76100 0.66500 -1.60800 1.000 H54 H 4.83200 -0.80800 -1.06600 1.000 H55 H 5.02400 1.85700 0.10600 1.000 H56 H 0.55500 1.41500 -0.53600 1.000 H57 H 4.20700 3.48300 0.34100 1.000 H58 H 2.95100 5.57700 0.61900 1.000 H59 H 0.51000 5.60400 0.32000 1.000 H60 H -1.45400 4.35000 -0.56000 1.000 H61 H -1.79600 -0.68700 0.94500 1.000 H62 H -5.84000 0.92600 -0.57800 1.000 H63 H -7.87100 -3.93400 -0.67800 1.000 H64 H -9.89700 -3.08400 0.43000 1.000 H65 H -9.97400 -0.76700 1.25600 1.000 H66 H -8.41300 1.76300 0.34600 1.000 H67 H -8.69100 1.15800 1.99700 1.000 H68 H -7.03000 1.42300 1.41400 1.000