# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '2QR' 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 -10.43100 -1.51100 -1.84100 1.000 C1 C -9.39300 -0.74300 -1.22900 1.000 C2 C -8.44700 -0.14100 -2.29700 1.000 O3 O -8.55600 -0.86400 -3.52500 1.000 C4 C -7.03900 -0.31200 -1.69400 1.000 C5 C -6.35900 1.05200 -1.56700 1.000 O6 O -5.01400 0.87400 -1.11700 1.000 P7 P -4.00100 2.10200 -0.87300 1.000 O8 O -4.54600 3.01400 0.33700 1.000 O9 O -2.54400 1.52900 -0.49800 1.000 P10 P -1.07000 2.17300 -0.44000 1.000 O11 O -0.88600 3.08800 -1.59000 1.000 O12 O 0.03200 1.00000 -0.50600 1.000 C13 C 1.43600 1.25500 -0.58000 1.000 C14 C 2.12100 0.12000 -1.34500 1.000 O15 O 1.85100 -1.12500 -0.69700 1.000 O16 O 1.97600 1.33000 0.74100 1.000 C17 C 3.37700 1.60900 0.78400 1.000 C18 C 4.14000 0.48800 0.07200 1.000 C19 C 3.63200 0.36900 -1.36800 1.000 O20 O 3.90600 1.58100 -2.07300 1.000 N21 N 5.57500 0.80100 0.06200 1.000 C22 C 6.21900 0.36200 1.30800 1.000 C23 C 7.68700 0.69900 1.26100 1.000 C24 C 8.15200 1.92200 1.73200 1.000 O25 O 7.28800 2.83800 2.24400 1.000 C26 C 9.51100 2.19400 1.67100 1.000 C27 C 10.03100 3.51500 2.17800 1.000 N28 N 10.35300 1.30900 1.17600 1.000 C29 C 9.94400 0.14100 0.72200 1.000 C30 C 8.60700 -0.20400 0.75300 1.000 C31 C 8.15200 -1.54300 0.23100 1.000 O32 O 9.28200 -2.27800 -0.24300 1.000 P33 P 9.16600 -3.75600 -0.87200 1.000 O34 O 10.60800 -4.22200 -1.41600 1.000 O35 O 8.66300 -4.78300 0.26200 1.000 O36 O 8.19700 -3.74100 -1.99000 1.000 O37 O -0.89700 2.99500 0.93300 1.000 O38 O -3.90900 2.91800 -2.10400 1.000 O39 O -7.20000 -0.90400 -0.39400 1.000 C40 C -8.43400 -1.65400 -0.42100 1.000 N41 N -8.94200 -1.86300 0.93700 1.000 C42 C -9.32100 -3.11600 1.33400 1.000 C43 C -9.79000 -3.30800 2.58600 1.000 C44 C -9.02600 -0.82100 1.78400 1.000 N45 N -9.48900 -0.98400 3.03700 1.000 C46 C -9.87800 -2.20200 3.46500 1.000 O47 O -10.29800 -2.35100 4.59800 1.000 O48 O -8.67800 0.28300 1.41300 1.000 H49 H -11.03000 -0.99200 -2.39400 1.000 H50 H -9.81200 0.03900 -0.59600 1.000 H51 H -8.67000 0.91400 -2.45300 1.000 H52 H -9.43900 -0.83900 -3.91900 1.000 H53 H -6.44100 -0.96700 -2.32800 1.000 H54 H -6.35400 1.54800 -2.53800 1.000 H55 H -6.90400 1.66500 -0.84900 1.000 H56 H -4.63200 2.54400 1.17700 1.000 H57 H 1.60800 2.19800 -1.09700 1.000 H58 H 1.74200 0.08900 -2.36700 1.000 H59 H 0.91100 -1.34400 -0.64200 1.000 H60 H 3.57500 2.55700 0.28400 1.000 H61 H 3.70400 1.66900 1.82100 1.000 H62 H 3.97600 -0.45400 0.59600 1.000 H63 H 4.13100 -0.46400 -1.86300 1.000 H64 H 3.60500 1.57800 -2.99200 1.000 H65 H 5.73000 1.78500 -0.09700 1.000 H66 H 5.75600 0.87000 2.15400 1.000 H67 H 6.09700 -0.71500 1.42000 1.000 H68 H 7.14400 2.75300 3.19600 1.000 H69 H 10.27900 3.42700 3.23600 1.000 H70 H 10.92300 3.79400 1.61700 1.000 H71 H 9.26600 4.28100 2.04700 1.000 H72 H 10.66500 -0.55800 0.32300 1.000 H73 H 7.66700 -2.10000 1.03300 1.000 H74 H 7.44600 -1.39400 -0.58600 1.000 H75 H 10.61200 -5.10500 -1.81000 1.000 H76 H 9.25100 -4.84400 1.02700 1.000 H77 H -1.00500 2.45800 1.72900 1.000 H78 H -8.29100 -2.60800 -0.92900 1.000 H79 H -9.24700 -3.94800 0.64900 1.000 H80 H -10.09300 -4.29200 2.91100 1.000 H81 H -9.54300 -0.22200 3.63500 1.000