# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWQ' 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 2.77400 3.13200 1.83800 1.000 C1 C 1.94900 1.57100 0.21400 1.000 C2 C 2.05000 1.13100 -1.24800 1.000 C3 C -0.19300 0.21000 -1.99700 1.000 C4 C -1.16200 0.40600 -0.83000 1.000 C5 C -1.24900 -0.88800 -0.01500 1.000 C6 C -2.26600 -0.70300 1.11500 1.000 C7 C -3.62200 -0.32100 0.51600 1.000 C8 C -4.79400 1.39400 -0.72600 1.000 C9 C -5.71300 1.74700 0.46200 1.000 C10 C -6.48500 0.47900 0.75700 1.000 C11 C -7.20300 0.10600 1.88200 1.000 C12 C -7.83600 -1.12000 1.92700 1.000 C13 C -7.75400 -1.97900 0.84600 1.000 C14 C -7.03900 -1.60900 -0.27600 1.000 C15 C -6.40400 -0.37900 -0.32300 1.000 C16 C -5.56900 0.25500 -1.42200 1.000 C17 C -2.55000 0.75600 -1.37200 1.000 C18 C 2.05800 3.90900 -0.31600 1.000 C19 C 1.58400 -1.26000 -1.21000 1.000 C20 C 2.91000 -1.47500 -0.58500 1.000 C21 C 4.92400 -0.59400 0.12600 1.000 C22 C 5.35100 -1.87400 0.56700 1.000 C23 C 4.49300 -2.97700 0.40100 1.000 C24 C 3.27400 -2.76700 -0.17600 1.000 C25 C 5.78800 0.51200 0.29400 1.000 C26 C 7.01100 0.33000 0.87300 1.000 C27 C 7.42300 -0.92900 1.30200 1.000 C28 C 6.61700 -2.01700 1.15700 1.000 N29 N 2.71500 2.81000 0.40600 1.000 N30 N 1.15900 -0.00900 -1.47700 1.000 N31 N -3.48600 0.92200 -0.25200 1.000 N32 N 3.72400 -0.44800 -0.43000 1.000 O33 O 0.87900 -2.21200 -1.48100 1.000 O34 O 5.40500 1.74700 -0.12000 1.000 H35 H 3.26100 2.31800 2.37400 1.000 H36 H 3.34200 4.05200 1.98000 1.000 H37 H 1.76300 3.26700 2.22200 1.000 H38 H 0.90400 1.74700 0.46900 1.000 H39 H 2.35400 0.79100 0.85700 1.000 H40 H 1.75800 1.95700 -1.89700 1.000 H41 H 3.07700 0.84000 -1.47000 1.000 H42 H -0.50100 -0.65500 -2.58500 1.000 H43 H -0.19900 1.09900 -2.62800 1.000 H44 H -0.80600 1.21400 -0.19200 1.000 H45 H -1.56800 -1.70500 -0.66200 1.000 H46 H -0.27100 -1.11800 0.40800 1.000 H47 H -2.36400 -1.63500 1.67200 1.000 H48 H -1.92700 0.08800 1.78400 1.000 H49 H -3.96600 -1.11900 -0.14100 1.000 H50 H -4.34500 -0.17500 1.31900 1.000 H51 H -4.67800 2.24800 -1.39400 1.000 H52 H -5.11800 2.03700 1.32800 1.000 H53 H -6.39600 2.55200 0.18700 1.000 H54 H -7.26700 0.77600 2.72600 1.000 H55 H -8.39400 -1.40900 2.80500 1.000 H56 H -8.24900 -2.93900 0.88000 1.000 H57 H -6.97600 -2.28000 -1.11900 1.000 H58 H -6.21400 0.65600 -2.20400 1.000 H59 H -4.87700 -0.47600 -1.84100 1.000 H60 H -2.49400 1.68500 -1.94000 1.000 H61 H -2.90000 -0.04600 -2.02100 1.000 H62 H 2.01400 3.67000 -1.37900 1.000 H63 H 1.04700 4.04300 0.06800 1.000 H64 H 2.62600 4.82800 -0.17400 1.000 H65 H 4.78900 -3.96400 0.72600 1.000 H66 H 2.59200 -3.59200 -0.31700 1.000 H67 H 7.67000 1.17700 0.99900 1.000 H68 H 8.39500 -1.04400 1.75700 1.000 H69 H 6.95000 -2.98700 1.49500 1.000 H70 H 5.04100 2.30200 0.58400 1.000 H71 H 3.65100 2.68600 0.05000 1.000