# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'RHQ' 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 1.28800 1.76100 -0.00000 1.000 C1 C 1.36600 0.38000 0.47400 1.000 C2 C 2.61700 -0.25900 0.60900 1.000 C3 C 3.75200 0.40800 0.30000 1.000 C4 C 3.68400 1.78900 -0.17400 1.000 C5 C 2.43500 2.43100 -0.31200 1.000 O6 O 0.09100 2.37200 -0.13600 1.000 C7 C -1.07200 1.75200 0.15500 1.000 C8 C -1.09000 0.42200 0.61800 1.000 C9 C 0.17500 -0.29900 0.79200 1.000 C10 C -2.27200 2.43000 -0.00300 1.000 C11 C -3.47000 1.79600 0.29500 1.000 C12 C -3.48000 0.47700 0.75400 1.000 C13 C -2.30900 -0.20300 0.91400 1.000 N14 N -4.67000 2.48000 0.13600 1.000 C15 C 0.19900 -1.69300 1.27300 1.000 C16 C 0.59700 -1.97800 2.58000 1.000 C17 C 0.61600 -3.28500 3.02600 1.000 C18 C 0.24200 -4.31900 2.18400 1.000 C19 C -0.15500 -4.05800 0.88700 1.000 C20 C -0.18800 -2.74600 0.41900 1.000 C21 C -4.78900 -0.19700 1.07300 1.000 C22 C 5.08900 -0.27300 0.44400 1.000 C23 C -4.66700 3.86400 -0.34500 1.000 C24 C -6.10600 4.37700 -0.43000 1.000 N25 N 4.79900 2.44100 -0.47700 1.000 C26 C 6.05200 1.70400 -0.65900 1.000 C27 C 7.11600 2.64100 -1.23400 1.000 C28 C -0.61700 -2.46100 -0.96500 1.000 O29 O -0.63900 -1.31600 -1.37000 1.000 O30 O -0.98500 -3.47100 -1.77800 1.000 C31 C -1.39600 -3.11700 -3.12500 1.000 C32 C -1.77400 -4.38500 -3.89200 1.000 H33 H 2.66800 -1.27900 0.96000 1.000 H34 H 2.38700 3.45100 -0.66300 1.000 H35 H -2.27400 3.45000 -0.35700 1.000 H36 H -2.32100 -1.22300 1.26900 1.000 H37 H -5.51000 2.04000 0.34300 1.000 H38 H 0.89000 -1.17700 3.24200 1.000 H39 H 0.92500 -3.50200 4.03700 1.000 H40 H 0.26100 -5.33700 2.54500 1.000 H41 H -0.44500 -4.87000 0.23700 1.000 H42 H -5.16800 -0.69600 0.18100 1.000 H43 H -4.63600 -0.93200 1.86300 1.000 H44 H -5.51000 0.55000 1.40600 1.000 H45 H 4.94300 -1.27900 0.83600 1.000 H46 H 5.57500 -0.32900 -0.53000 1.000 H47 H 5.71500 0.29800 1.13000 1.000 H48 H -4.09900 4.48700 0.34600 1.000 H49 H -4.20800 3.90400 -1.33300 1.000 H50 H -6.10300 5.40700 -0.78700 1.000 H51 H -6.67400 3.75400 -1.12000 1.000 H52 H -6.56500 4.33700 0.55800 1.000 H53 H 4.78600 3.40600 -0.57700 1.000 H54 H 6.39000 1.31800 0.30300 1.000 H55 H 5.88900 0.87400 -1.34700 1.000 H56 H 8.04800 2.09300 -1.37000 1.000 H57 H 6.77900 3.02700 -2.19600 1.000 H58 H 7.28000 3.47100 -0.54700 1.000 H59 H -2.25600 -2.44900 -3.07900 1.000 H60 H -0.57400 -2.61500 -3.63500 1.000 H61 H -0.91300 -5.05200 -3.93900 1.000 H62 H -2.59600 -4.88700 -3.38200 1.000 H63 H -2.08200 -4.11900 -4.90400 1.000