# CIF file generated by openbabel 2.3.2, see http://openbabel.sf.net data_I _chemical_name_common 'CCQ' loop_ _atom_site_type_symbol _atom_site_label _atom_site_Cartn_x _atom_site_Cartn_y _atom_site_Cartn_z O O1 11.32800 1.51500 0.46000 C C2 11.40900 1.65500 -0.74200 C C3 12.45800 2.56400 -1.32700 C C4 13.28400 3.18300 -0.19700 C C5 14.26600 4.20000 -0.78100 N N6 14.95100 4.90300 0.31300 C C7 15.72600 3.93900 1.10500 C C8 15.85500 5.91700 -0.24700 C C9 13.95600 5.55600 1.17400 O O10 14.00900 2.15500 0.48200 S S11 10.32900 0.81800 -1.77500 C C12 9.34600 -0.07500 -0.54600 C C13 8.28400 -0.91600 -1.25600 N N14 7.48800 -1.63900 -0.26100 C C15 6.48600 -2.44900 -0.65800 O O16 6.24400 -2.57900 -1.83900 C C17 5.66800 -3.19200 0.36600 C C18 4.60500 -4.03400 -0.34400 N N19 3.80900 -4.75700 0.65100 C C20 2.80800 -5.56700 0.25400 O O21 2.59300 -5.73000 -0.92800 C C22 1.95500 -6.26900 1.27900 O O23 1.13200 -7.24000 0.63000 C C24 1.06900 -5.24500 1.99300 C C25 1.94700 -4.28900 2.80400 C C26 0.10500 -5.97300 2.93200 C C27 0.27100 -4.45100 0.95700 O O28 -0.55600 -3.49500 1.62400 P P29 -1.36300 -2.70000 0.48000 O O30 -2.12200 -3.70900 -0.41100 O O31 -0.36900 -1.89400 -0.38600 O O32 -2.41500 -1.69300 1.16700 P P33 -3.52000 -1.34200 0.05000 O O34 -3.93300 -2.58400 -0.64200 O O35 -2.89500 -0.31400 -1.01900 O O36 -4.80200 -0.67000 0.75600 C C37 -5.78800 -0.49200 -0.26200 C C38 -7.03900 0.14600 0.34600 C C39 -8.15100 0.23500 -0.71700 O O40 -9.30400 -0.50200 -0.30700 P P41 -9.61400 -1.56800 -1.47300 O O42 -8.40800 -2.38700 -1.72700 O O43 -10.82600 -2.52500 -1.01800 O O44 -10.02400 -0.78600 -2.82000 C C45 -8.47500 1.75000 -0.79700 O O46 -9.88400 1.96400 -0.90500 C C47 -7.94000 2.26900 0.56200 O O48 -6.74500 1.48700 0.77400 N N49 -7.61500 3.69500 0.48200 C C50 -8.47200 4.73700 0.73200 C C51 -7.72300 5.91000 0.53300 N N52 -6.47400 5.53000 0.17100 C C53 -6.40900 4.23000 0.14100 C C54 -8.36200 7.14600 0.72800 N N55 -7.67800 8.33400 0.54100 N N56 -9.64000 7.14800 1.09400 C C57 -10.30100 6.01900 1.27400 N N58 -9.74400 4.83900 1.10400 H H59 13.11300 1.98900 -1.98200 H H60 11.97500 3.35600 -1.90000 H H61 12.61800 3.68300 0.50700 H H62 15.00200 3.68200 -1.39700 H H63 13.72300 4.92100 -1.39200 H H64 16.31800 3.31300 0.43700 H H65 16.39000 4.47600 1.78200 H H66 15.04600 3.31300 1.68200 H H67 15.27900 6.63200 -0.83500 H H68 16.36300 6.43800 0.56400 H H69 16.59300 5.43200 -0.88600 H H70 13.28500 4.80400 1.58900 H H71 14.46400 6.07700 1.98500 H H72 13.38000 6.27100 0.58600 H H73 14.58400 1.73900 -0.17500 H H74 8.85900 0.63900 0.11900 H H75 9.99700 -0.72700 0.03600 H H76 8.77000 -1.63000 -1.92000 H H77 7.63300 -0.26400 -1.83800 H H78 7.68100 -1.53500 0.68400 H H79 5.18100 -2.47800 1.03000 H H80 6.31900 -3.84500 0.94800 H H81 5.09200 -4.74800 -1.00800 H H82 3.95400 -3.38200 -0.92600 H H83 4.00300 -4.65200 1.59600 H H84 2.59700 -6.76500 2.00800 H H85 0.58200 -6.76100 -0.00400 H H86 2.60800 -4.86400 3.45200 H H87 2.54300 -3.67900 2.12500 H H88 1.31400 -3.64300 3.41200 H H89 -0.57100 -5.25000 3.39000 H H90 -0.47300 -6.70200 2.36500 H H91 0.67200 -6.48400 3.71000 H H92 0.95800 -3.93300 0.28800 H H93 -0.35400 -5.13200 0.38000 H H94 -2.64000 0.47900 -0.52800 H H95 -5.39100 0.15700 -1.04300 H H96 -6.04600 -1.46000 -0.69100 H H97 -7.38300 -0.44600 1.19300 H H98 -7.78900 -0.12800 -1.67900 H H99 -10.97900 -3.14600 -1.74300 H H100 -10.81200 -0.26600 -2.61200 H H101 -7.94700 2.21900 -1.62700 H H102 -10.02600 2.91900 -0.85600 H H103 -8.66400 2.08500 1.35500 H H104 -5.52900 3.66000 -0.11700 H H105 -6.74600 8.32000 0.27300 H H106 -8.13000 9.18100 0.67900 H H107 -11.33800 6.06600 1.57300