# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JQT' 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 -3.67700 5.91500 -1.99700 1.000 C1 C -3.47800 5.06900 -0.85900 1.000 C2 C -3.91100 5.47800 0.40400 1.000 C3 C -3.71600 4.65800 1.49600 1.000 C4 C -3.09300 3.43300 1.34200 1.000 C5 C -2.66000 3.02100 0.09400 1.000 C6 C -2.85500 3.82800 -1.00800 1.000 C7 C -1.98200 1.68500 -0.06400 1.000 C8 C -2.51300 -0.59000 -0.50600 1.000 C9 C -3.41100 -1.61200 -0.77900 1.000 C10 C -2.95500 -2.90500 -0.95700 1.000 C11 C -1.60400 -3.18200 -0.86500 1.000 C12 C -0.70200 -2.16200 -0.59200 1.000 C13 C -1.15700 -0.86500 -0.41300 1.000 C14 C 1.49700 -1.33700 -0.21800 1.000 C15 C 2.92000 -1.82700 -0.15400 1.000 C16 C 3.94300 -0.94000 0.11400 1.000 C17 C 5.25900 -1.39500 0.17200 1.000 C18 C 5.53400 -2.74400 -0.04100 1.000 C19 C 4.50300 -3.62300 -0.30800 1.000 C20 C 3.19900 -3.16700 -0.36000 1.000 C21 C 6.36300 -0.44600 0.45900 1.000 C22 C 6.33600 0.32500 1.62000 1.000 C23 C 7.36300 1.20700 1.88500 1.000 C24 C 8.42400 1.33200 0.99800 1.000 C25 C 8.45600 0.56200 -0.16000 1.000 C26 C 7.43000 -0.32800 -0.42800 1.000 C27 C 10.65000 2.04400 0.55800 1.000 C28 C 10.31600 1.83200 -0.92400 1.000 C29 C 3.63700 0.51800 0.34200 1.000 C30 C -4.88400 -1.31300 -0.88000 1.000 C31 C -5.57300 -2.47300 1.13600 1.000 C32 C -7.05300 -2.64100 1.53700 1.000 C33 C -7.57200 -1.18000 1.58300 1.000 C34 C -6.78300 -0.53100 0.41800 1.000 C35 C -6.66700 0.95600 0.62700 1.000 N36 N -3.83500 6.58700 -2.89900 1.000 N37 N -5.44800 -1.16400 0.46800 1.000 O38 O -2.96200 0.68200 -0.33600 1.000 O39 O 0.62700 -2.43500 -0.50100 1.000 O40 O 9.42200 2.21400 1.27500 1.000 O41 O 9.49300 0.66600 -1.03600 1.000 O42 O -7.76000 -3.40100 0.55400 1.000 O43 O -7.77300 1.71500 0.68200 1.000 O44 O -5.57800 1.46700 0.74600 1.000 Cl45 Cl -1.03400 -4.80600 -1.08900 1.000 H46 H -4.39700 6.43500 0.52500 1.000 H47 H -4.05100 4.97300 2.47300 1.000 H48 H -2.94200 2.79500 2.20100 1.000 H49 H -2.52100 3.50300 -1.98200 1.000 H50 H -1.27200 1.73300 -0.89000 1.000 H51 H -1.45200 1.43600 0.85600 1.000 H52 H -3.65500 -3.69900 -1.16900 1.000 H53 H -0.45800 -0.07000 -0.20100 1.000 H54 H 1.22200 -0.89300 0.74000 1.000 H55 H 1.40500 -0.58800 -1.00400 1.000 H56 H 6.55200 -3.10200 0.00300 1.000 H57 H 4.71600 -4.66900 -0.47300 1.000 H58 H 2.39500 -3.85800 -0.56500 1.000 H59 H 5.51200 0.23100 2.31200 1.000 H60 H 7.34000 1.80400 2.78400 1.000 H61 H 7.45600 -0.92800 -1.32500 1.000 H62 H 11.18200 1.17300 0.94300 1.000 H63 H 11.27000 2.93300 0.67200 1.000 H64 H 9.77900 2.70000 -1.30800 1.000 H65 H 11.23600 1.68900 -1.49200 1.000 H66 H 3.54100 0.70500 1.41100 1.000 H67 H 4.44600 1.12600 -0.06200 1.000 H68 H 2.70400 0.77600 -0.15800 1.000 H69 H -5.03000 -0.38800 -1.43900 1.000 H70 H -5.38700 -2.13200 -1.39500 1.000 H71 H -4.94300 -2.49700 2.02500 1.000 H72 H -5.27800 -3.26800 0.45100 1.000 H73 H -7.13600 -3.11100 2.51700 1.000 H74 H -8.64500 -1.14000 1.39700 1.000 H75 H -7.32400 -0.70700 2.53300 1.000 H76 H -7.26800 -0.74500 -0.53400 1.000 H77 H -7.42300 -4.30000 0.43500 1.000 H78 H -7.64800 2.66400 0.81800 1.000