# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C6N' 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 4.45900 1.13900 2.92900 1.000 C1 C 5.47100 0.70100 2.02000 1.000 C2 C 4.98300 -0.54300 1.27400 1.000 O3 O 3.85100 -0.20400 0.47100 1.000 C4 C 6.10400 -1.07300 0.37600 1.000 O5 O 7.21600 -1.46700 1.18300 1.000 C6 C 8.46800 -1.44700 0.49500 1.000 C7 C 9.52200 -2.17700 1.33300 1.000 O8 O 9.08700 -3.51400 1.58700 1.000 C9 C 9.70900 -1.43800 2.66100 1.000 O10 O 10.74300 -2.07000 3.41900 1.000 C11 C 10.09900 0.01500 2.37400 1.000 O12 O 10.20500 0.73400 3.60500 1.000 C13 C 9.02300 0.66100 1.49700 1.000 C14 C 9.43500 2.09400 1.15600 1.000 O15 O 8.38000 2.73400 0.43500 1.000 O16 O 8.87800 -0.09300 0.29100 1.000 C17 C 5.58900 -2.28100 -0.41200 1.000 O18 O 6.60600 -2.73900 -1.30500 1.000 C19 C 4.35100 -1.86500 -1.21200 1.000 O20 O 3.81800 -3.00300 -1.89400 1.000 C21 C 3.29700 -1.30500 -0.25200 1.000 O22 O 2.16100 -0.86300 -0.99800 1.000 C23 C 1.06900 -0.42300 -0.18700 1.000 C24 C -0.08500 0.02500 -1.08600 1.000 C25 C -0.53800 -1.14800 -1.95700 1.000 C26 C -1.00400 -2.29800 -1.06200 1.000 C27 C -1.45700 -3.47100 -1.93400 1.000 C28 C -1.92400 -4.62100 -1.03900 1.000 C29 C -2.37600 -5.79400 -1.91000 1.000 C30 C -1.17800 -6.34600 -2.68600 1.000 C31 C -1.63100 -7.51900 -3.55700 1.000 C32 C -2.21300 -8.62000 -2.66800 1.000 C33 C -3.41100 -8.06800 -1.89300 1.000 C34 C -2.95900 -6.89500 -1.02100 1.000 C35 C -1.25400 0.49600 -0.21800 1.000 O36 O -2.33200 0.91400 -1.05700 1.000 C37 C -3.48000 1.37600 -0.34200 1.000 C38 C -4.51700 1.91200 -1.33200 1.000 O39 O -3.97300 3.03100 -2.03500 1.000 C40 C -5.76800 2.34800 -0.56300 1.000 O41 O -6.76900 2.78200 -1.48600 1.000 C42 C -6.29700 1.16100 0.24700 1.000 O43 O -7.42200 1.57600 1.02300 1.000 C44 C -8.66500 1.52500 0.31900 1.000 C45 C -9.73600 2.26900 1.12100 1.000 O46 O -9.31700 3.61700 1.34200 1.000 C47 C -9.93600 1.56600 2.46700 1.000 O48 O -10.98600 2.21000 3.19100 1.000 C49 C -10.31000 0.10200 2.21500 1.000 O50 O -10.42800 -0.58200 3.46400 1.000 C51 C -9.21600 -0.55800 1.37200 1.000 C52 C -9.61100 -2.00400 1.06500 1.000 O53 O -8.54000 -2.65500 0.37800 1.000 O54 O -9.06000 0.16300 0.14800 1.000 C55 C -5.19100 0.65400 1.17600 1.000 C56 C -5.69200 -0.57000 1.94500 1.000 O57 O -4.69600 -0.98300 2.88400 1.000 O58 O -4.04600 0.29400 0.40000 1.000 C59 C 0.38200 1.17500 -1.98100 1.000 C60 C 0.83400 2.34800 -1.10900 1.000 C61 C 1.30100 3.49800 -2.00400 1.000 C62 C 1.75400 4.67100 -1.13300 1.000 C63 C 2.22000 5.82100 -2.02700 1.000 C64 C 3.46600 5.39000 -2.80400 1.000 C65 C 3.93300 6.53900 -3.69900 1.000 C66 C 4.26700 7.75600 -2.83300 1.000 C67 C 3.02200 8.18700 -2.05700 1.000 C68 C 2.55500 7.03700 -1.16200 1.000 H69 H 4.70100 1.92500 3.43700 1.000 H70 H 5.68300 1.49400 1.30300 1.000 H71 H 6.37800 0.45900 2.57400 1.000 H72 H 4.70000 -1.31100 1.99400 1.000 H73 H 6.41600 -0.29100 -0.31700 1.000 H74 H 8.36200 -1.94400 -0.46900 1.000 H75 H 10.46800 -2.19700 0.79100 1.000 H76 H 8.94400 -4.04000 0.78800 1.000 H77 H 8.77700 -1.46200 3.22600 1.000 H78 H 10.56500 -2.99600 3.63100 1.000 H79 H 11.05700 0.03900 1.85500 1.000 H80 H 10.86600 0.37600 4.21300 1.000 H81 H 8.07500 0.67300 2.03400 1.000 H82 H 9.63300 2.64400 2.07600 1.000 H83 H 10.33600 2.07700 0.54200 1.000 H84 H 8.57200 3.64800 0.18500 1.000 H85 H 5.32400 -3.08100 0.28000 1.000 H86 H 6.34700 -3.50400 -1.83700 1.000 H87 H 4.62600 -1.10100 -1.93800 1.000 H88 H 3.03100 -2.81200 -2.42100 1.000 H89 H 2.99300 -2.08300 0.44800 1.000 H90 H 0.73700 -1.24200 0.45100 1.000 H91 H 1.39200 0.41300 0.43400 1.000 H92 H -1.36000 -0.82900 -2.59700 1.000 H93 H 0.29500 -1.48400 -2.57600 1.000 H94 H -0.18200 -2.61700 -0.42200 1.000 H95 H -1.83700 -1.96200 -0.44400 1.000 H96 H -2.28000 -3.15200 -2.57400 1.000 H97 H -0.62400 -3.80700 -2.55200 1.000 H98 H -1.10100 -4.94000 -0.39900 1.000 H99 H -2.75600 -4.28600 -0.42100 1.000 H100 H -3.13800 -5.45300 -2.61200 1.000 H101 H -0.76300 -5.56200 -3.31900 1.000 H102 H -0.41700 -6.68700 -1.98400 1.000 H103 H -2.39200 -7.17800 -4.25900 1.000 H104 H -0.77700 -7.91200 -4.11000 1.000 H105 H -2.53600 -9.45600 -3.28900 1.000 H106 H -1.45200 -8.96100 -1.96700 1.000 H107 H -4.17300 -7.72700 -2.59500 1.000 H108 H -3.82600 -8.85300 -1.26000 1.000 H109 H -2.19800 -7.23600 -0.32000 1.000 H110 H -3.81200 -6.50200 -0.46900 1.000 H111 H -1.58600 -0.32300 0.42000 1.000 H112 H -0.93100 1.33200 0.40300 1.000 H113 H -3.18600 2.17100 0.34300 1.000 H114 H -4.78000 1.12800 -2.04300 1.000 H115 H -3.17500 2.82700 -2.54100 1.000 H116 H -5.51400 3.16600 0.11200 1.000 H117 H -6.49900 3.52800 -2.03800 1.000 H118 H -6.59700 0.36200 -0.43200 1.000 H119 H -8.54800 1.99600 -0.65700 1.000 H120 H -10.67400 2.26600 0.56600 1.000 H121 H -9.16700 4.12100 0.53000 1.000 H122 H -9.01200 1.61400 3.04400 1.000 H123 H -10.81800 3.14400 3.38000 1.000 H124 H -11.25900 0.05500 1.68200 1.000 H125 H -11.10000 -0.21300 4.05300 1.000 H126 H -8.27600 -0.54700 1.92200 1.000 H127 H -9.81700 -2.53000 1.99800 1.000 H128 H -10.50300 -2.01200 0.43900 1.000 H129 H -8.72200 -3.57800 0.15200 1.000 H130 H -4.91900 1.44000 1.88100 1.000 H131 H -6.60900 -0.31500 2.47600 1.000 H132 H -5.89100 -1.38200 1.24600 1.000 H133 H -4.94700 -1.75600 3.40800 1.000 H134 H 1.21400 0.83900 -2.59900 1.000 H135 H -0.44100 1.49400 -2.62100 1.000 H136 H 0.00200 2.68400 -0.49100 1.000 H137 H 1.65700 2.02900 -0.46900 1.000 H138 H 2.13400 3.16200 -2.62200 1.000 H139 H 0.47900 3.81700 -2.64400 1.000 H140 H 0.92100 5.00700 -0.51400 1.000 H141 H 2.57600 4.35200 -0.49200 1.000 H142 H 1.42700 6.08100 -2.72800 1.000 H143 H 4.25900 5.12900 -2.10300 1.000 H144 H 3.22700 4.52300 -3.42100 1.000 H145 H 4.82000 6.23200 -4.25200 1.000 H146 H 3.13900 6.79900 -4.40000 1.000 H147 H 5.06100 7.49600 -2.13300 1.000 H148 H 4.60000 8.57500 -3.47100 1.000 H149 H 3.26000 9.05400 -1.44000 1.000 H150 H 2.22800 8.44700 -2.75800 1.000 H151 H 1.66800 7.34500 -0.60900 1.000 H152 H 3.34800 6.77800 -0.46100 1.000