# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CPQ' 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 -1.78000 2.23600 9.97500 1.000 C1 C -0.90300 1.06700 9.52000 1.000 C2 C -1.61900 1.50700 7.16300 1.000 C3 C -2.12300 0.89800 5.84400 1.000 C4 C -1.20500 -0.24000 5.45000 1.000 C5 C -1.25400 -1.32200 6.56400 1.000 C6 C -0.49000 -2.47800 5.90900 1.000 C7 C -1.02300 -2.46400 4.45000 1.000 C8 C -1.53400 -1.02600 4.18500 1.000 C9 C 0.23900 0.25800 5.39000 1.000 C10 C 0.50300 1.57700 9.20500 1.000 C11 C -3.18900 1.72600 10.28600 1.000 C12 C -3.11800 0.67800 11.39900 1.000 C13 C -2.24000 -0.48900 10.94400 1.000 C14 C -0.83200 0.02000 10.63400 1.000 C15 C 0.04400 -1.14800 10.18000 1.000 C16 C -0.55300 -1.77900 8.92100 1.000 C17 C -0.62000 -0.73100 7.80900 1.000 C18 C -1.49800 0.44800 8.25300 1.000 C19 C -0.81000 -0.42000 2.98100 1.000 C20 C -1.27900 1.02100 2.77700 1.000 C21 C -1.12600 -1.24100 1.73000 1.000 C22 C -0.40200 -0.63500 0.52600 1.000 O23 O -4.43400 0.20100 11.68800 1.000 O24 O -3.43000 0.35100 6.02900 1.000 C25 C -0.71400 -1.44400 -0.70600 1.000 N26 N -0.25900 -1.04100 -1.90900 1.000 C27 C 0.51600 0.19600 -2.02200 1.000 C28 C 2.00400 -0.11600 -1.85000 1.000 C29 C 2.81400 1.17600 -1.96700 1.000 N30 N 4.23800 0.87600 -1.80200 1.000 C31 C 5.14700 1.86900 -1.86800 1.000 C32 C 6.61300 1.56100 -1.69800 1.000 O33 O 7.36900 2.76800 -1.80800 1.000 C34 C 7.05700 0.58000 -2.78400 1.000 O35 O 6.83900 1.16300 -4.07100 1.000 C36 C 8.54500 0.26700 -2.61200 1.000 O37 O 9.30100 1.47500 -2.72200 1.000 C38 C 8.98900 -0.71300 -3.69800 1.000 O39 O 8.23300 -1.92000 -3.58800 1.000 C40 C 10.47700 -1.02600 -3.52600 1.000 O41 O 10.89200 -1.94200 -4.54100 1.000 O42 O 4.78600 3.01000 -2.06400 1.000 C43 C -0.53900 -1.84100 -3.10400 1.000 C44 C -1.78700 -1.29500 -3.80200 1.000 C45 C -2.00900 -2.05100 -5.11300 1.000 N46 N -3.20400 -1.52900 -5.78200 1.000 C47 C -3.59700 -2.04700 -6.96200 1.000 C48 C -4.82500 -1.51000 -7.64900 1.000 O49 O -5.03300 -2.21600 -8.87400 1.000 C50 C -4.63400 -0.02100 -7.94500 1.000 O51 O -3.49800 0.15300 -8.79400 1.000 C52 C -5.88100 0.52400 -8.64300 1.000 O53 O -6.08900 -0.18100 -9.86800 1.000 C54 C -5.69000 2.01300 -8.93900 1.000 O55 O -5.48200 2.71900 -7.71400 1.000 C56 C -6.93700 2.55900 -9.63700 1.000 O57 O -6.75800 3.94900 -9.91300 1.000 O58 O -2.96100 -2.94700 -7.47100 1.000 O59 O -1.37400 -2.45700 -0.61600 1.000 H60 H -1.83000 2.98300 9.18300 1.000 H61 H -1.35000 2.68400 10.87100 1.000 H62 H -2.31800 2.27800 7.49000 1.000 H63 H -0.64200 1.96100 6.99600 1.000 H64 H -2.14800 1.66300 5.06700 1.000 H65 H -2.28500 -1.61400 6.76600 1.000 H66 H -0.72700 -3.42300 6.39800 1.000 H67 H 0.58300 -2.29100 5.92900 1.000 H68 H -1.84100 -3.17700 4.34400 1.000 H69 H -0.21900 -2.71000 3.75600 1.000 H70 H -2.61000 -1.03300 4.01400 1.000 H71 H 0.49700 0.73900 6.33300 1.000 H72 H 0.90700 -0.58500 5.21900 1.000 H73 H 0.34300 0.97400 4.57500 1.000 H74 H 0.93500 2.02800 10.09900 1.000 H75 H 1.12800 0.74400 8.88100 1.000 H76 H 0.45100 2.32300 8.41200 1.000 H77 H -3.61800 1.27600 9.39100 1.000 H78 H -3.81300 2.55800 10.61000 1.000 H79 H -2.69000 1.12700 12.29400 1.000 H80 H -2.66900 -0.93900 10.04900 1.000 H81 H -2.19000 -1.23600 11.73700 1.000 H82 H -0.40300 0.47100 11.52900 1.000 H83 H 0.09300 -1.89400 10.97300 1.000 H84 H 1.04900 -0.78500 9.96200 1.000 H85 H -1.55800 -2.14200 9.13900 1.000 H86 H 0.07100 -2.61100 8.60000 1.000 H87 H 0.38400 -0.37600 7.57700 1.000 H88 H -2.49100 0.06300 8.48200 1.000 H89 H 0.26400 -0.43000 3.16100 1.000 H90 H -2.35400 1.03200 2.59800 1.000 H91 H -1.05400 1.60600 3.66900 1.000 H92 H -0.76300 1.45300 1.91900 1.000 H93 H -0.79200 -2.26800 1.87500 1.000 H94 H -2.20100 -1.23100 1.55000 1.000 H95 H -0.73700 0.39200 0.38000 1.000 H96 H 0.67200 -0.64500 0.70500 1.000 H97 H -4.95300 0.96600 11.97000 1.000 H98 H -4.00200 1.08000 6.30700 1.000 H99 H 0.35000 0.64100 -3.00300 1.000 H100 H 0.19900 0.89500 -1.24800 1.000 H101 H 2.17000 -0.56100 -0.86800 1.000 H102 H 2.32000 -0.81500 -2.62400 1.000 H103 H 2.64700 1.62100 -2.94900 1.000 H104 H 2.49700 1.87500 -1.19300 1.000 H105 H 4.52700 -0.03500 -1.64500 1.000 H106 H 6.77900 1.11600 -0.71700 1.000 H107 H 7.19400 3.12900 -2.68800 1.000 H108 H 6.48000 -0.34000 -2.70000 1.000 H109 H 7.36600 1.97300 -4.10300 1.000 H110 H 8.71100 -0.17700 -1.63100 1.000 H111 H 9.12600 1.83500 -3.60200 1.000 H112 H 8.82300 -0.26800 -4.68000 1.000 H113 H 8.40800 -2.28100 -2.70800 1.000 H114 H 11.05400 -0.10500 -3.61000 1.000 H115 H 10.64300 -1.47000 -2.54500 1.000 H116 H 11.83300 -2.11200 -4.39600 1.000 H117 H -0.70900 -2.87800 -2.81500 1.000 H118 H 0.31000 -1.78800 -3.78500 1.000 H119 H -2.65300 -1.42900 -3.15400 1.000 H120 H -1.65000 -0.23500 -4.01300 1.000 H121 H -1.14300 -1.91800 -5.76100 1.000 H122 H -2.14600 -3.11200 -4.90300 1.000 H123 H -3.71100 -0.81000 -5.37500 1.000 H124 H -5.69200 -1.64300 -7.00200 1.000 H125 H -4.24600 -2.07200 -9.41700 1.000 H126 H -4.47500 0.51700 -7.01100 1.000 H127 H -3.67900 -0.33700 -9.60800 1.000 H128 H -6.74800 0.39100 -7.99500 1.000 H129 H -5.30200 -0.03800 -10.41100 1.000 H130 H -4.82300 2.14600 -9.58700 1.000 H131 H -6.26900 2.57500 -7.17200 1.000 H132 H -7.09600 2.02000 -10.57100 1.000 H133 H -7.80400 2.42500 -8.98900 1.000 H134 H -7.56500 4.25300 -10.35200 1.000