# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQT' 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 7.85300 -0.25700 -0.65200 1.000 C1 C 6.85500 1.49900 0.63500 1.000 C2 C 5.60800 0.64100 0.86200 1.000 C3 C 6.61500 -1.13300 -0.43800 1.000 C4 C 1.71800 -1.00200 -0.05100 1.000 C5 C -5.64100 -0.00200 0.05600 1.000 C6 C -1.88000 0.23300 -0.10100 1.000 C7 C -3.15400 -0.31300 0.01700 1.000 C8 C -2.73900 2.36200 -0.36500 1.000 C9 C -4.26200 0.53400 -0.06300 1.000 C10 C -4.03800 1.89900 -0.25800 1.000 C11 C -0.69300 -0.65000 -0.01900 1.000 C12 C 2.98900 -0.16500 -0.20900 1.000 C13 C 4.21400 -1.07700 -0.12500 1.000 N14 N 5.43400 -0.27300 -0.27600 1.000 N15 N -7.74200 -0.13800 0.13600 1.000 N16 N -7.27600 -1.32800 0.29200 1.000 N17 N -6.76200 0.68800 -0.00600 1.000 N18 N -5.98800 -1.28300 0.24300 1.000 N19 N -1.71700 1.53700 -0.29200 1.000 N20 N 0.54500 -0.12900 -0.13200 1.000 O21 O 7.98700 0.64600 0.44900 1.000 O22 O -0.83500 -1.84500 0.15000 1.000 H23 H 8.73900 -0.88900 -0.71500 1.000 H24 H 7.74300 0.31000 -1.57600 1.000 H25 H 6.71500 2.11700 -0.25200 1.000 H26 H 7.02000 2.13900 1.50200 1.000 H27 H 5.72600 0.06300 1.77900 1.000 H28 H 4.73300 1.28600 0.94900 1.000 H29 H 6.47600 -1.78400 -1.30100 1.000 H30 H 6.75000 -1.74000 0.45700 1.000 H31 H 1.67200 -1.74700 -0.84600 1.000 H32 H 1.73100 -1.50400 0.91600 1.000 H33 H -3.28400 -1.37500 0.16700 1.000 H34 H -2.56100 3.41600 -0.51600 1.000 H35 H -4.86900 2.58600 -0.32000 1.000 H36 H 2.97600 0.33700 -1.17700 1.000 H37 H 3.03400 0.58000 0.58600 1.000 H38 H 4.22800 -1.57900 0.84300 1.000 H39 H 4.16900 -1.82100 -0.91900 1.000 H40 H -8.68200 0.10100 0.13200 1.000 H41 H 0.65800 0.82500 -0.26800 1.000