# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQM' 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 -11.82700 3.03400 1.39900 1.000 C1 C -13.20700 5.09200 1.30700 1.000 C2 C -12.57300 3.95200 -0.80200 1.000 P3 P 1.29200 -3.91900 0.57000 1.000 O4 O 0.25600 -3.54800 1.56000 1.000 O5 O 2.02600 -5.27200 1.04200 1.000 O6 O 2.37500 -2.73300 0.45600 1.000 O7 O 0.60100 -4.15500 -0.86500 1.000 P8 P 3.15700 -1.82500 1.53100 1.000 O9 O 3.66800 -2.68400 2.62300 1.000 O10 O 2.15100 -0.72600 2.13900 1.000 O11 O 4.39100 -1.08400 0.81100 1.000 C12 C 5.34200 -0.28700 1.52000 1.000 C13 C 6.37600 0.26800 0.53800 1.000 O14 O 5.74900 1.20200 -0.35700 1.000 C15 C 7.47200 1.03100 1.30700 1.000 O16 O 8.75100 0.43500 1.07900 1.000 C17 C 7.42500 2.46100 0.71600 1.000 O18 O 8.74300 2.98100 0.53300 1.000 C19 C 6.72500 2.22400 -0.65100 1.000 P20 P 9.66100 -0.16800 2.26300 1.000 O21 O 8.88000 -1.16800 3.02500 1.000 O22 O 10.96400 -0.87100 1.63200 1.000 O23 O 10.11600 1.02100 3.24800 1.000 N24 N 6.06800 3.44900 -1.11300 1.000 C25 C 6.65500 4.46900 -1.81900 1.000 N26 N 7.87700 4.70500 -2.28500 1.000 C27 C 8.14000 5.81200 -2.94700 1.000 N28 N 7.22200 6.73300 -3.18100 1.000 C29 C 5.97300 6.58400 -2.75400 1.000 C30 C 5.64300 5.41800 -2.04200 1.000 N31 N 4.51200 4.93700 -1.47200 1.000 C32 C 4.75900 3.78200 -0.92700 1.000 N33 N 5.01900 7.55400 -3.00400 1.000 C34 C -0.89200 -5.05000 -2.54100 1.000 C35 C -0.47700 -5.07000 -1.06900 1.000 C36 C -1.34200 -3.63900 -2.92400 1.000 C37 C 0.29700 -5.46000 -3.41200 1.000 C38 C -2.04700 -6.03000 -2.75900 1.000 O39 O -1.58900 -7.36400 -2.53000 1.000 C40 C -3.16400 -5.71100 -1.80000 1.000 O41 O -3.43400 -6.48300 -0.90500 1.000 N42 N -3.86400 -4.56700 -1.93800 1.000 C43 C -4.88600 -4.21000 -0.95000 1.000 C44 C -5.52500 -2.87500 -1.33800 1.000 C45 C -6.57600 -2.50800 -0.32200 1.000 O46 O -6.79200 -3.24100 0.62000 1.000 N47 N -7.27600 -1.36400 -0.46000 1.000 C48 C -8.29700 -1.00700 0.52800 1.000 C49 C -8.93700 0.32800 0.14000 1.000 S50 S -10.19800 0.76900 1.36100 1.000 C51 C -10.73800 2.25600 0.70600 1.000 O52 O -10.24400 2.68400 -0.31600 1.000 C53 C -12.11800 4.31400 0.61400 1.000 O54 O -10.93400 5.11100 0.54500 1.000 O55 O -13.99900 4.52000 2.01800 1.000 O56 O -13.29700 6.42000 1.13500 1.000 H57 H -12.73000 2.42600 1.45200 1.000 H58 H -11.50300 3.29200 2.40800 1.000 H59 H -12.78000 4.86400 -1.36100 1.000 H60 H -11.78500 3.38900 -1.30300 1.000 H61 H -13.47600 3.34400 -0.74900 1.000 H62 H 2.71800 -5.57500 0.43900 1.000 H63 H 1.77700 -0.12600 1.47900 1.000 H64 H 4.82900 0.53900 2.01200 1.000 H65 H 5.84400 -0.90000 2.26800 1.000 H66 H 6.82200 -0.54800 -0.03000 1.000 H67 H 7.24600 1.05100 2.37400 1.000 H68 H 6.83200 3.12300 1.34700 1.000 H69 H 8.76600 3.87500 0.16400 1.000 H70 H 7.44100 1.86800 -1.39200 1.000 H71 H 11.56000 -1.25700 2.28900 1.000 H72 H 10.63300 1.71400 2.81500 1.000 H73 H 9.14300 5.97400 -3.31200 1.000 H74 H 4.03300 3.17400 -0.40700 1.000 H75 H 5.25900 8.35500 -3.49700 1.000 H76 H 4.11000 7.43400 -2.68700 1.000 H77 H -0.15600 -6.07600 -0.79600 1.000 H78 H -1.32400 -4.77800 -0.44800 1.000 H79 H -0.49000 -2.96100 -2.87800 1.000 H80 H -1.74500 -3.64800 -3.93700 1.000 H81 H -2.11200 -3.30200 -2.23000 1.000 H82 H 0.57900 -6.48800 -3.18100 1.000 H83 H 0.01900 -5.38700 -4.46400 1.000 H84 H 1.14000 -4.79900 -3.21200 1.000 H85 H -2.41000 -5.94200 -3.78300 1.000 H86 H -1.25100 -7.51600 -1.63600 1.000 H87 H -3.69200 -3.98000 -2.69100 1.000 H88 H -5.65100 -4.98500 -0.92300 1.000 H89 H -4.42400 -4.11900 0.03300 1.000 H90 H -4.76000 -2.10000 -1.36600 1.000 H91 H -5.98700 -2.96600 -2.32100 1.000 H92 H -7.10300 -0.77700 -1.21300 1.000 H93 H -9.06200 -1.78200 0.55600 1.000 H94 H -7.83500 -0.91600 1.51200 1.000 H95 H -8.17100 1.10300 0.11300 1.000 H96 H -9.39800 0.23700 -0.84300 1.000 H97 H -10.58900 5.37800 1.40800 1.000 H98 H -14.01200 6.87600 1.60000 1.000