# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CCQ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 11.32800 1.51500 0.46000 1.000 C1 C 11.40900 1.65500 -0.74200 1.000 C2 C 12.45800 2.56400 -1.32700 1.000 C3 C 13.28400 3.18300 -0.19700 1.000 C4 C 14.26600 4.20000 -0.78100 1.000 N5 N 14.95100 4.90300 0.31300 1.000 C6 C 15.72600 3.93900 1.10500 1.000 C7 C 15.85500 5.91700 -0.24700 1.000 C8 C 13.95600 5.55600 1.17400 1.000 O9 O 14.00900 2.15500 0.48200 1.000 S10 S 10.32900 0.81800 -1.77500 1.000 C11 C 9.34600 -0.07500 -0.54600 1.000 C12 C 8.28400 -0.91600 -1.25600 1.000 N13 N 7.48800 -1.63900 -0.26100 1.000 C14 C 6.48600 -2.44900 -0.65800 1.000 O15 O 6.24400 -2.57900 -1.83900 1.000 C16 C 5.66800 -3.19200 0.36600 1.000 C17 C 4.60500 -4.03400 -0.34400 1.000 N18 N 3.80900 -4.75700 0.65100 1.000 C19 C 2.80800 -5.56700 0.25400 1.000 O20 O 2.59300 -5.73000 -0.92800 1.000 C21 C 1.95500 -6.26900 1.27900 1.000 O22 O 1.13200 -7.24000 0.63000 1.000 C23 C 1.06900 -5.24500 1.99300 1.000 C24 C 1.94700 -4.28900 2.80400 1.000 C25 C 0.10500 -5.97300 2.93200 1.000 C26 C 0.27100 -4.45100 0.95700 1.000 O27 O -0.55600 -3.49500 1.62400 1.000 P28 P -1.36300 -2.70000 0.48000 1.000 O29 O -2.12200 -3.70900 -0.41100 1.000 O30 O -0.36900 -1.89400 -0.38600 1.000 O31 O -2.41500 -1.69300 1.16700 1.000 P32 P -3.52000 -1.34200 0.05000 1.000 O33 O -3.93300 -2.58400 -0.64200 1.000 O34 O -2.89500 -0.31400 -1.01900 1.000 O35 O -4.80200 -0.67000 0.75600 1.000 C36 C -5.78800 -0.49200 -0.26200 1.000 C37 C -7.03900 0.14600 0.34600 1.000 C38 C -8.15100 0.23500 -0.71700 1.000 O39 O -9.30400 -0.50200 -0.30700 1.000 P40 P -9.61400 -1.56800 -1.47300 1.000 O41 O -8.40800 -2.38700 -1.72700 1.000 O42 O -10.82600 -2.52500 -1.01800 1.000 O43 O -10.02400 -0.78600 -2.82000 1.000 C44 C -8.47500 1.75000 -0.79700 1.000 O45 O -9.88400 1.96400 -0.90500 1.000 C46 C -7.94000 2.26900 0.56200 1.000 O47 O -6.74500 1.48700 0.77400 1.000 N48 N -7.61500 3.69500 0.48200 1.000 C49 C -8.47200 4.73700 0.73200 1.000 C50 C -7.72300 5.91000 0.53300 1.000 N51 N -6.47400 5.53000 0.17100 1.000 C52 C -6.40900 4.23000 0.14100 1.000 C53 C -8.36200 7.14600 0.72800 1.000 N54 N -7.67800 8.33400 0.54100 1.000 N55 N -9.64000 7.14800 1.09400 1.000 C56 C -10.30100 6.01900 1.27400 1.000 N57 N -9.74400 4.83900 1.10400 1.000 H58 H 13.11300 1.98900 -1.98200 1.000 H59 H 11.97500 3.35600 -1.90000 1.000 H60 H 12.61800 3.68300 0.50700 1.000 H61 H 15.00200 3.68200 -1.39700 1.000 H62 H 13.72300 4.92100 -1.39200 1.000 H63 H 16.31800 3.31300 0.43700 1.000 H64 H 16.39000 4.47600 1.78200 1.000 H65 H 15.04600 3.31300 1.68200 1.000 H66 H 15.27900 6.63200 -0.83500 1.000 H67 H 16.36300 6.43800 0.56400 1.000 H68 H 16.59300 5.43200 -0.88600 1.000 H69 H 13.28500 4.80400 1.58900 1.000 H70 H 14.46400 6.07700 1.98500 1.000 H71 H 13.38000 6.27100 0.58600 1.000 H72 H 14.58400 1.73900 -0.17500 1.000 H73 H 8.85900 0.63900 0.11900 1.000 H74 H 9.99700 -0.72700 0.03600 1.000 H75 H 8.77000 -1.63000 -1.92000 1.000 H76 H 7.63300 -0.26400 -1.83800 1.000 H77 H 7.68100 -1.53500 0.68400 1.000 H78 H 5.18100 -2.47800 1.03000 1.000 H79 H 6.31900 -3.84500 0.94800 1.000 H80 H 5.09200 -4.74800 -1.00800 1.000 H81 H 3.95400 -3.38200 -0.92600 1.000 H82 H 4.00300 -4.65200 1.59600 1.000 H83 H 2.59700 -6.76500 2.00800 1.000 H84 H 0.58200 -6.76100 -0.00400 1.000 H85 H 2.60800 -4.86400 3.45200 1.000 H86 H 2.54300 -3.67900 2.12500 1.000 H87 H 1.31400 -3.64300 3.41200 1.000 H88 H -0.57100 -5.25000 3.39000 1.000 H89 H -0.47300 -6.70200 2.36500 1.000 H90 H 0.67200 -6.48400 3.71000 1.000 H91 H 0.95800 -3.93300 0.28800 1.000 H92 H -0.35400 -5.13200 0.38000 1.000 H93 H -2.64000 0.47900 -0.52800 1.000 H94 H -5.39100 0.15700 -1.04300 1.000 H95 H -6.04600 -1.46000 -0.69100 1.000 H96 H -7.38300 -0.44600 1.19300 1.000 H97 H -7.78900 -0.12800 -1.67900 1.000 H98 H -10.97900 -3.14600 -1.74300 1.000 H99 H -10.81200 -0.26600 -2.61200 1.000 H100 H -7.94700 2.21900 -1.62700 1.000 H101 H -10.02600 2.91900 -0.85600 1.000 H102 H -8.66400 2.08500 1.35500 1.000 H103 H -5.52900 3.66000 -0.11700 1.000 H104 H -6.74600 8.32000 0.27300 1.000 H105 H -8.13000 9.18100 0.67900 1.000 H106 H -11.33800 6.06600 1.57300 1.000