# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9XW' 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 2.08700 -0.11900 0.05200 1.000 C1 C -0.38300 0.16400 0.29800 1.000 C2 C -2.68700 -0.35500 0.47300 1.000 C3 C -5.06200 -0.94600 0.43200 1.000 C4 C -6.01100 -0.54000 -0.70000 1.000 C5 C -6.48300 0.89800 -0.47300 1.000 C6 C -4.32000 1.46200 0.64200 1.000 C7 C 1.32600 -1.28900 0.04000 1.000 C8 C 2.01900 -4.90000 -0.27800 1.000 C9 C 1.99700 -2.52700 -0.10900 1.000 C10 C 3.36600 -2.56800 -0.23600 1.000 C11 C 4.11200 -1.39800 -0.22200 1.000 C12 C 3.47800 -0.17800 -0.08000 1.000 C13 C 5.13800 1.03600 1.09200 1.000 C14 C 5.89700 2.36600 1.10200 1.000 C15 C 5.74300 2.49500 -1.28500 1.000 C16 C 4.98200 1.16500 -1.32000 1.000 C17 C -7.45800 1.29600 -1.58300 1.000 C18 C -5.27700 1.84100 -0.49200 1.000 N19 N 4.23200 1.00300 -0.06500 1.000 N20 N -1.70200 0.56500 0.44700 1.000 N21 N -3.97500 0.03900 0.51400 1.000 N22 N 0.00500 -1.05800 0.17700 1.000 O23 O 1.28200 -3.68500 -0.12500 1.000 O24 O 6.59500 2.52100 -0.13600 1.000 O25 O -2.41300 -1.53900 0.45900 1.000 O26 O -7.13900 0.99000 0.79300 1.000 S27 S 0.99700 1.25200 0.24300 1.000 H28 H -5.60700 -0.96900 1.37500 1.000 H29 H -4.64600 -1.93300 0.22600 1.000 H30 H -5.48900 -0.60500 -1.65400 1.000 H31 H -6.87200 -1.20800 -0.71000 1.000 H32 H -3.41400 2.06400 0.57300 1.000 H33 H -4.80300 1.63800 1.60300 1.000 H34 H 1.33000 -5.74500 -0.27400 1.000 H35 H 2.56300 -4.87800 -1.22200 1.000 H36 H 2.72500 -5.00300 0.54700 1.000 H37 H 3.86500 -3.51900 -0.34800 1.000 H38 H 5.18600 -1.44100 -0.32200 1.000 H39 H 5.84900 0.21200 1.02000 1.000 H40 H 4.56000 0.94000 2.01000 1.000 H41 H 5.19100 3.18700 1.22700 1.000 H42 H 6.61000 2.37100 1.92600 1.000 H43 H 6.34500 2.59300 -2.18800 1.000 H44 H 5.03300 3.32000 -1.22900 1.000 H45 H 4.28900 1.16500 -2.16100 1.000 H46 H 5.68900 0.34300 -1.42900 1.000 H47 H -8.31700 0.62500 -1.56900 1.000 H48 H -7.79400 2.32000 -1.42200 1.000 H49 H -6.95800 1.22500 -2.54900 1.000 H50 H -4.76200 1.75300 -1.44800 1.000 H51 H -5.61600 2.86800 -0.35400 1.000 H52 H -1.91600 1.50700 0.53300 1.000 H53 H -7.46500 1.87600 1.00300 1.000