# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TQ' 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 -6.69200 1.80300 -0.77300 1.000 C1 C -7.17200 -0.19200 2.48400 1.000 C2 C 1.07400 -0.46100 2.03600 1.000 C3 C 2.45500 -0.26400 2.03600 1.000 C4 C 3.21700 -0.35800 3.29800 1.000 C5 C 2.39800 0.12100 -0.33700 1.000 C6 C 4.60600 0.23700 0.83200 1.000 C7 C -1.59000 -1.29500 -0.14500 1.000 C8 C -3.55200 -2.18000 -1.28600 1.000 C9 C -5.07400 -2.13400 -1.13600 1.000 C10 C -6.94800 -0.64100 -1.21200 1.000 C11 C -7.35100 0.76000 -1.68100 1.000 C12 C -7.10300 1.53400 0.67800 1.000 C13 C -6.71000 0.10400 1.05600 1.000 C14 C 0.36600 -0.37200 0.84700 1.000 C15 C 1.03000 -0.08100 -0.33800 1.000 C16 C 3.11400 0.02300 0.83800 1.000 C17 C 5.26200 -0.85200 0.03000 1.000 C18 C 5.47800 -2.09400 0.59600 1.000 C19 C 6.08500 -3.09500 -0.13800 1.000 C20 C 6.47800 -2.85400 -1.44700 1.000 C21 C 6.26200 -1.61000 -2.01700 1.000 C22 C 5.65200 -0.60500 -1.27800 1.000 C23 C 4.91500 1.58700 0.22900 1.000 C24 C 5.31100 1.69800 -1.05200 1.000 C25 C 5.63300 3.03100 -1.67600 1.000 C26 C 4.77300 2.71800 1.05400 1.000 C27 C 5.03700 3.96800 0.59500 1.000 C28 C 5.45700 4.16700 -0.71900 1.000 N29 N -2.93200 -1.39800 -0.21400 1.000 N30 N -1.01900 -0.57500 0.84100 1.000 O31 O -5.53200 -0.79500 -1.33200 1.000 O32 O -6.91600 0.95600 -3.02800 1.000 O33 O -7.12100 3.11000 -1.15700 1.000 O34 O -8.51700 1.69200 0.81000 1.000 O35 O -6.70500 -1.48400 2.87700 1.000 O36 O -7.33200 -0.81400 0.15400 1.000 O37 O 4.28100 -0.94400 3.32200 1.000 O38 O 2.73300 0.20700 4.42100 1.000 O39 O 7.07600 -3.83800 -2.16900 1.000 O40 O 5.43800 0.60700 -1.83600 1.000 O41 O 5.68600 5.29900 -1.10000 1.000 S42 S -0.61000 -2.07900 -1.31000 1.000 H43 H -5.60800 1.73300 -0.86500 1.000 H44 H -6.76800 0.56100 3.16000 1.000 H45 H -8.26000 -0.17200 2.52500 1.000 H46 H 0.55900 -0.68800 2.95800 1.000 H47 H 2.90900 0.34700 -1.26100 1.000 H48 H -3.21200 -3.21400 -1.22500 1.000 H49 H -3.27000 -1.76100 -2.25200 1.000 H50 H -5.53200 -2.78700 -1.87900 1.000 H51 H -5.35100 -2.47000 -0.13700 1.000 H52 H -7.44800 -1.38800 -1.82800 1.000 H53 H -8.43400 0.86300 -1.62800 1.000 H54 H -6.59500 2.23800 1.33700 1.000 H55 H -5.62700 -0.00400 0.99400 1.000 H56 H 0.47500 -0.00200 -1.26100 1.000 H57 H 5.17300 -2.28300 1.61400 1.000 H58 H 6.25300 -4.06500 0.30600 1.000 H59 H 6.56800 -1.42100 -3.03500 1.000 H60 H 6.66600 3.01800 -2.02200 1.000 H61 H 4.97600 3.18700 -2.53200 1.000 H62 H 4.44800 2.58900 2.07600 1.000 H63 H 4.92100 4.81600 1.25300 1.000 H64 H -3.48700 -0.95300 0.44500 1.000 H65 H -1.56800 -0.19800 1.54600 1.000 H66 H -7.29500 0.32800 -3.65800 1.000 H67 H -6.89800 3.34500 -2.06900 1.000 H68 H -8.83700 2.57600 0.58200 1.000 H69 H -6.96100 -1.73900 3.77400 1.000 H70 H 3.26800 0.11900 5.22200 1.000 H71 H 6.45900 -4.39200 -2.66600 1.000 H72 H 4.97700 0.20600 1.85600 1.000