# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQH' 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 2.91600 0.08700 -0.56300 1.000 C1 C 7.12800 0.17700 1.50700 1.000 C2 C 6.10900 1.29800 1.72500 1.000 C3 C 5.82000 1.97700 0.41100 1.000 C4 C 6.51200 3.11800 0.05400 1.000 C5 C 6.24800 3.74100 -1.15100 1.000 C6 C 5.28900 3.22500 -2.00400 1.000 C7 C 4.59300 2.08400 -1.65300 1.000 C8 C 4.86000 1.45300 -0.44500 1.000 C9 C 2.12100 -1.10500 -0.09600 1.000 C10 C 7.42100 -0.51200 2.84100 1.000 C11 C 2.59500 -2.35600 -0.83800 1.000 C12 C 4.04000 -2.66700 -0.44200 1.000 C13 C 4.08900 -3.07200 1.03200 1.000 C14 C 4.56800 -3.81600 -1.30400 1.000 C15 C -0.23600 -1.56200 0.32100 1.000 C16 C -1.66400 -1.42400 -0.03400 1.000 C17 C -2.63500 -2.12600 0.68100 1.000 C18 C -3.96700 -1.99300 0.34500 1.000 C19 C -4.34000 -1.16400 -0.69800 1.000 C20 C -5.79600 -1.02300 -1.05900 1.000 C21 C -6.40100 0.11200 -0.27300 1.000 C22 C -7.06300 2.04300 1.18700 1.000 C23 C -7.80700 0.57900 -0.32600 1.000 C24 C -3.38300 -0.46400 -1.41000 1.000 C25 C -2.04800 -0.58500 -1.08100 1.000 N26 N 4.16100 0.29500 -0.09000 1.000 N27 N 0.70000 -0.88200 -0.37200 1.000 N28 N -8.07900 1.57400 0.44900 1.000 O29 O 2.43800 0.85700 -1.36900 1.000 O30 O 0.09500 -2.29000 1.23700 1.000 O31 O -7.10400 2.96500 1.97500 1.000 O32 O -8.73100 0.00800 -1.12300 1.000 S33 S -5.65200 1.05100 0.79400 1.000 H34 H 6.72200 -0.55000 0.80300 1.000 H35 H 8.04900 0.59800 1.10400 1.000 H36 H 5.18700 0.87800 2.12800 1.000 H37 H 6.51400 2.02600 2.42800 1.000 H38 H 7.26200 3.52300 0.71800 1.000 H39 H 6.79000 4.63300 -1.42700 1.000 H40 H 5.08400 3.71400 -2.94400 1.000 H41 H 3.84400 1.68200 -2.31900 1.000 H42 H 2.26600 -1.24100 0.97600 1.000 H43 H 8.14700 -1.31000 2.68500 1.000 H44 H 7.82700 0.21600 3.54400 1.000 H45 H 6.50000 -0.93200 3.24300 1.000 H46 H 1.95600 -3.19900 -0.57300 1.000 H47 H 2.54100 -2.18400 -1.91300 1.000 H48 H 4.65700 -1.78300 -0.59700 1.000 H49 H 5.12600 -3.22500 1.33300 1.000 H50 H 3.64700 -2.28300 1.64100 1.000 H51 H 3.52900 -3.99700 1.17400 1.000 H52 H 4.53300 -3.52700 -2.35500 1.000 H53 H 5.59800 -4.03700 -1.02300 1.000 H54 H 3.95100 -4.70000 -1.14900 1.000 H55 H -2.34500 -2.77400 1.49600 1.000 H56 H -4.71900 -2.53600 0.89800 1.000 H57 H -5.88800 -0.81500 -2.12500 1.000 H58 H -6.32100 -1.94900 -0.82300 1.000 H59 H -3.68100 0.18100 -2.22300 1.000 H60 H -1.30200 -0.03500 -1.63500 1.000 H61 H 4.57100 -0.35900 0.49700 1.000 H62 H 0.43100 -0.24600 -1.05300 1.000