# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J7Z' 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 0.01000 -1.43900 -0.80700 1.000 O1 O -0.03300 -1.55100 -2.00900 1.000 C2 C -4.34200 1.32800 1.03000 1.000 O3 O -4.53000 2.45200 0.63000 1.000 C4 C 0.47600 1.84600 2.28900 1.000 C5 C 3.51300 5.66700 -0.35700 1.000 C6 C -1.53300 0.36200 -1.04100 1.000 O7 O -0.71800 -0.49100 -0.19600 1.000 C8 C 0.87600 -2.36600 0.00600 1.000 C9 C -5.36300 0.66300 1.91700 1.000 C10 C 1.17500 0.77900 3.13500 1.000 O11 O 0.21900 0.13900 3.98200 1.000 C12 C 2.73700 6.88400 -0.86500 1.000 O13 O 2.35100 7.70000 0.24200 1.000 C14 C -2.28500 1.37300 -0.17200 1.000 O15 O -3.22400 0.67100 0.68400 1.000 C16 C 1.58800 -3.34700 -0.92700 1.000 C17 C -6.51400 1.60600 2.15300 1.000 C18 C 2.25500 1.44600 3.99300 1.000 O19 O 2.96200 0.44800 4.73200 1.000 C20 C 1.48700 6.40800 -1.61200 1.000 O21 O 0.79500 7.53600 -2.15300 1.000 C22 C -1.28600 2.14500 0.69100 1.000 O23 O -0.49500 1.22400 1.44400 1.000 C24 C 2.46800 -4.28900 -0.10100 1.000 C25 C -7.74200 1.21200 1.92000 1.000 C26 C 3.22900 2.19300 3.07800 1.000 O27 O 3.88800 1.26100 2.21800 1.000 C28 C 1.91000 5.47300 -2.74900 1.000 O29 O 2.71400 6.19300 -3.68500 1.000 C30 C 3.16900 -5.25500 -1.02000 1.000 C31 C -8.02200 -0.23400 1.60100 1.000 C32 C 2.45100 3.20600 2.23400 1.000 O33 O 2.70500 4.93900 0.57000 1.000 C34 C 2.71800 4.31000 -2.16800 1.000 O35 O 3.84900 2.25600 -2.75600 1.000 C36 C 4.47300 -5.37600 -0.97200 1.000 C37 C -9.09600 -0.75200 2.52200 1.000 C38 C 3.40900 3.91400 1.27500 1.000 O39 O 1.44300 2.52400 1.48500 1.000 C40 C 3.19500 3.40200 -3.30400 1.000 O41 O 3.84900 4.82300 -1.46100 1.000 C42 C 5.25300 -4.68900 0.11900 1.000 C43 C -10.16700 -1.32000 2.02400 1.000 C44 C 6.11500 -5.69900 0.83200 1.000 C45 C -10.24500 -1.62000 0.55000 1.000 C46 C 7.40300 -5.49200 0.95200 1.000 C47 C -10.57400 -3.07700 0.35100 1.000 C48 C 7.99500 -4.16700 0.54500 1.000 C49 C -11.69900 -3.42100 -0.22700 1.000 C50 C 8.78900 -3.59700 1.69200 1.000 C51 C -12.74800 -2.37900 -0.51400 1.000 C52 C 10.03000 -3.22000 1.50600 1.000 C53 C -12.94600 -2.26300 -2.00400 1.000 C54 C 10.60400 -3.17700 0.11300 1.000 C55 C -14.14400 -2.38600 -2.51700 1.000 C56 C 11.20900 -1.82000 -0.13900 1.000 C57 C -15.34600 -2.47000 -1.61200 1.000 C58 C 12.44300 -1.72200 -0.56800 1.000 C59 C -16.36600 -1.44300 -2.03300 1.000 C60 C 13.19400 -2.95900 -0.98900 1.000 C61 C -17.60300 -1.80500 -2.26400 1.000 C62 C 13.75900 -2.75700 -2.37200 1.000 C63 C -18.05500 -3.20300 -1.92900 1.000 C64 C 15.03300 -2.96800 -2.59600 1.000 C65 C -19.31000 -3.13800 -1.05700 1.000 C66 C 15.89600 -3.57600 -1.52100 1.000 C67 C 16.61300 -4.80700 -2.07900 1.000 H68 H -0.01900 2.56300 2.94400 1.000 H69 H 4.42600 5.99800 0.13800 1.000 H70 H -0.89400 0.89400 -1.74600 1.000 H71 H -2.25000 -0.24900 -1.59000 1.000 H72 H 1.61600 -1.78400 0.55500 1.000 H73 H 0.25500 -2.91900 0.71000 1.000 H74 H -5.72900 -0.24300 1.43400 1.000 H75 H -4.90300 0.40600 2.87100 1.000 H76 H 1.63500 0.03800 2.48000 1.000 H77 H -0.49800 -0.30100 3.50500 1.000 H78 H 3.36800 7.46200 -1.54100 1.000 H79 H 3.09300 8.03300 0.76400 1.000 H80 H -2.82700 2.06900 -0.81200 1.000 H81 H 0.84800 -3.93000 -1.47500 1.000 H82 H 2.21000 -2.79400 -1.63000 1.000 H83 H -6.32700 2.60700 2.51300 1.000 H84 H 1.78900 2.14900 4.68400 1.000 H85 H 2.40400 -0.07000 5.32800 1.000 H86 H 0.83200 5.87500 -0.92300 1.000 H87 H 0.50400 8.17400 -1.48800 1.000 H88 H -0.63700 2.74200 0.05000 1.000 H89 H -1.82700 2.80200 1.37300 1.000 H90 H 3.20800 -3.70700 0.44800 1.000 H91 H 1.84600 -4.84200 0.60300 1.000 H92 H -8.55400 1.92400 1.95700 1.000 H93 H 3.97000 2.71600 3.68400 1.000 H94 H 4.39800 0.58600 2.68700 1.000 H95 H 1.02300 5.08700 -3.25100 1.000 H96 H 2.26600 6.94800 -4.09000 1.000 H97 H 2.59800 -5.84900 -1.71700 1.000 H98 H -8.35600 -0.32000 0.56800 1.000 H99 H -7.11200 -0.81800 1.73900 1.000 H100 H 1.98200 3.94100 2.88900 1.000 H101 H 2.09100 3.73700 -1.48400 1.000 H102 H 4.17800 1.63600 -3.42000 1.000 H103 H 4.98800 -5.96700 -1.71400 1.000 H104 H -8.98400 -0.65600 3.59200 1.000 H105 H 4.22700 4.35900 1.84100 1.000 H106 H 3.80900 3.19300 0.56200 1.000 H107 H 2.33900 3.08300 -3.89800 1.000 H108 H 3.89300 3.95000 -3.93800 1.000 H109 H 5.88500 -3.91600 -0.31800 1.000 H110 H 4.56300 -4.23500 0.83000 1.000 H111 H -10.99400 -1.57200 2.67100 1.000 H112 H 5.67200 -6.59300 1.24300 1.000 H113 H -11.02200 -1.00600 0.09400 1.000 H114 H -9.28500 -1.39800 0.08300 1.000 H115 H 8.04100 -6.27000 1.34400 1.000 H116 H -9.88400 -3.83800 0.68400 1.000 H117 H 8.65000 -4.31100 -0.31500 1.000 H118 H 7.19400 -3.47700 0.27900 1.000 H119 H -11.87300 -4.45200 -0.49600 1.000 H120 H 8.33500 -3.49900 2.66700 1.000 H121 H -13.68800 -2.67000 -0.04500 1.000 H122 H -12.42400 -1.41800 -0.11500 1.000 H123 H 10.64100 -2.94000 2.35100 1.000 H124 H -12.09900 -2.07800 -2.64800 1.000 H125 H 11.37300 -3.94200 0.01300 1.000 H126 H 9.81100 -3.36200 -0.61200 1.000 H127 H -14.27100 -2.42600 -3.58900 1.000 H128 H 10.62500 -0.92800 0.03400 1.000 H129 H -15.78400 -3.46600 -1.68200 1.000 H130 H -15.04100 -2.27900 -0.58400 1.000 H131 H 12.92200 -0.75600 -0.61900 1.000 H132 H -16.07600 -0.40900 -2.14400 1.000 H133 H 14.00700 -3.14700 -0.28800 1.000 H134 H 12.51600 -3.81200 -0.99500 1.000 H135 H -18.30000 -1.10100 -2.69500 1.000 H136 H 13.11400 -2.43800 -3.17700 1.000 H137 H -18.27800 -3.74300 -2.84900 1.000 H138 H -17.26300 -3.72100 -1.38700 1.000 H139 H 15.46300 -2.70600 -3.55100 1.000 H140 H -19.08700 -2.59800 -0.13700 1.000 H141 H -20.10200 -2.62100 -1.59900 1.000 H142 H -19.63700 -4.15000 -0.81500 1.000 H143 H 16.63400 -2.84400 -1.19100 1.000 H144 H 15.27300 -3.86900 -0.67700 1.000 H145 H 15.87500 -5.53800 -2.40900 1.000 H146 H 17.23600 -4.51400 -2.92400 1.000 H147 H 17.23800 -5.24700 -1.30200 1.000