# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CWN' 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 -8.32900 3.59100 0.27800 1.000 C1 C -7.15800 4.46900 0.17900 1.000 C2 C -5.83800 4.07100 0.21600 1.000 C3 C -5.05600 5.22700 0.08300 1.000 C4 C -5.89900 6.28800 -0.03000 1.000 O5 O -9.44700 4.07000 0.32800 1.000 O6 O -13.44400 -0.44700 0.28700 1.000 C7 C -12.87000 0.62200 0.19100 1.000 O8 O -19.33500 0.49700 -0.62400 1.000 C9 C -21.71700 -9.15900 -0.22100 1.000 C10 C -20.52600 -8.22000 -0.02100 1.000 C11 C -20.96000 -6.78000 -0.30000 1.000 N12 N -19.81900 -5.88000 -0.10900 1.000 N13 N -21.30000 -10.54200 0.04700 1.000 C14 C -20.93100 -10.67700 1.46200 1.000 C15 C -22.40900 -11.45600 -0.26000 1.000 C16 C -18.23500 0.03600 -0.38300 1.000 N17 N -18.08700 -1.29000 -0.19100 1.000 C18 C -14.97900 1.69700 -0.10800 1.000 N19 N -17.08800 2.29700 -0.37900 1.000 C20 C -15.75800 0.53100 -0.13300 1.000 N21 N -13.58200 1.75700 0.04500 1.000 C22 C -15.81500 2.75700 -0.26300 1.000 N23 N -10.55500 -0.40500 0.27800 1.000 O24 O -3.49900 3.07800 0.31300 1.000 C25 C -18.28200 3.12600 -0.56100 1.000 N26 N -8.16800 2.25300 0.30900 1.000 O27 O 3.10900 4.20600 0.16900 1.000 C28 C -17.07000 0.92400 -0.30000 1.000 N29 N -7.17900 5.83600 0.02700 1.000 O30 O 9.00500 7.67300 -0.12200 1.000 O31 O 10.35900 1.81700 0.38900 1.000 C32 C -9.29200 1.40900 0.28700 1.000 N33 N -3.65100 5.28100 0.06900 1.000 O34 O 16.00300 -0.22100 -0.26700 1.000 C35 C -9.27500 0.05000 0.31300 1.000 N36 N -0.62000 3.13200 0.29200 1.000 O37 O 17.30800 -6.10500 -0.08200 1.000 C38 C -10.96200 -1.81200 0.29200 1.000 N39 N -0.73200 5.29300 0.05200 1.000 C40 C -11.40600 0.67600 0.23400 1.000 N41 N 1.63800 5.85700 -0.00800 1.000 C42 C -10.63300 1.81800 0.23700 1.000 N43 N 7.81100 5.80300 -0.01000 1.000 N44 N 11.50400 6.23200 -0.28500 1.000 N45 N 12.33000 2.76900 0.00300 1.000 C46 C -8.38200 6.66700 -0.06300 1.000 N47 N 11.46300 -0.84900 0.23900 1.000 N48 N 14.80500 -2.07900 -0.04500 1.000 C49 C -2.93200 4.14700 0.19100 1.000 N50 N 18.50700 -1.65600 -0.14400 1.000 C51 C -1.46100 4.20200 0.17700 1.000 C52 C 0.56000 4.96500 0.09100 1.000 N53 N 19.30800 -5.13700 -0.09900 1.000 C54 C 0.65200 3.61400 0.23700 1.000 C55 C -1.01300 1.73000 0.45000 1.000 C56 C 2.90300 5.39400 0.04100 1.000 C57 C -19.22800 -2.18900 -0.38200 1.000 C58 C 8.98700 6.45700 -0.08300 1.000 C59 C 11.74700 4.04600 -0.07700 1.000 C60 C 10.37900 4.33800 0.01900 1.000 C61 C 12.40800 5.21900 -0.26400 1.000 C62 C 11.81600 7.65200 -0.46500 1.000 C63 C 10.24500 5.70400 -0.11500 1.000 C64 C 11.55300 1.68400 0.19200 1.000 C65 C 13.48900 0.04900 0.04600 1.000 C66 C 13.60700 -1.34800 0.05200 1.000 C67 C 12.35800 -1.86900 0.17600 1.000 C68 C 10.01100 -0.99400 0.37400 1.000 C69 C 12.14600 0.34300 0.16000 1.000 C70 C 15.98200 -1.43300 -0.15500 1.000 C71 C 18.73300 -3.85300 -0.11500 1.000 C72 C 19.40700 -2.67400 -0.13100 1.000 C73 C 18.83300 -0.22800 -0.16400 1.000 C74 C 17.23900 -2.18900 -0.14000 1.000 C75 C 18.51900 -6.22900 -0.08300 1.000 C76 C 4.06100 6.35200 -0.06500 1.000 C77 C 5.37600 5.57500 0.01800 1.000 C78 C 6.55200 6.54800 -0.08900 1.000 C79 C 17.36100 -3.56200 -0.12000 1.000 C80 C -18.79400 -3.62900 -0.10400 1.000 C81 C -19.96700 -4.55400 -0.30000 1.000 O82 O -21.04400 -4.10600 -0.63100 1.000 C83 C 19.12100 -7.57300 -0.06700 1.000 C84 C 18.39000 -8.71000 -0.05000 1.000 C85 C 16.88500 -8.78600 -0.04600 1.000 S86 S 19.45200 -10.04900 -0.03600 1.000 C87 C 20.81100 -9.01400 -0.05200 1.000 N88 N 20.44000 -7.78200 -0.07200 1.000 H89 H -5.47500 3.06000 0.32700 1.000 H90 H -5.60100 7.31900 -0.14600 1.000 H91 H -22.51700 -8.88200 0.46500 1.000 H92 H -22.07400 -9.08000 -1.24700 1.000 H93 H -20.16800 -8.30000 1.00500 1.000 H94 H -19.72500 -8.49800 -0.70700 1.000 H95 H -21.31700 -6.70000 -1.32600 1.000 H96 H -21.76000 -6.50200 0.38600 1.000 H97 H -18.95800 -6.23900 0.15500 1.000 H98 H -20.50600 -10.77200 -0.53100 1.000 H99 H -20.62200 -11.70400 1.66100 1.000 H100 H -20.10900 -10.00000 1.69000 1.000 H101 H -21.79000 -10.42900 2.08700 1.000 H102 H -22.68300 -11.35600 -1.31000 1.000 H103 H -22.10000 -12.48200 -0.06100 1.000 H104 H -23.26700 -11.20800 0.36500 1.000 H105 H -17.22500 -1.64800 0.07300 1.000 H106 H -15.39900 -0.48300 -0.03900 1.000 H107 H -13.13100 2.61600 0.04500 1.000 H108 H -15.51600 3.79500 -0.29000 1.000 H109 H -18.51700 3.19700 -1.62300 1.000 H110 H -19.12200 2.67500 -0.03200 1.000 H111 H -18.09600 4.12400 -0.16300 1.000 H112 H -7.27600 1.87300 0.34700 1.000 H113 H -3.19800 6.13300 -0.02800 1.000 H114 H -8.38900 -0.56700 0.35600 1.000 H115 H -11.18600 -2.11600 1.31500 1.000 H116 H -11.84900 -1.94000 -0.32700 1.000 H117 H -10.15300 -2.42800 -0.10100 1.000 H118 H 1.47400 6.80800 -0.11100 1.000 H119 H -10.99200 2.83600 0.20600 1.000 H120 H 7.79800 4.83800 0.09400 1.000 H121 H 13.29200 2.66900 -0.07800 1.000 H122 H -8.63100 7.05600 0.92400 1.000 H123 H -8.20000 7.49700 -0.74600 1.000 H124 H -9.21200 6.06500 -0.43600 1.000 H125 H 14.78400 -3.04900 -0.03200 1.000 H126 H 20.27300 -5.23600 -0.10000 1.000 H127 H 1.56200 3.03600 0.30200 1.000 H128 H -1.11600 1.26800 -0.53200 1.000 H129 H -0.25000 1.20100 1.02200 1.000 H130 H -1.96400 1.67600 0.97900 1.000 H131 H -20.02800 -1.91100 0.30400 1.000 H132 H -19.58500 -2.10900 -1.40900 1.000 H133 H 9.58000 3.62600 0.17000 1.000 H134 H 13.47700 5.32700 -0.37800 1.000 H135 H 11.70800 7.91800 -1.51700 1.000 H136 H 11.13300 8.25400 0.13400 1.000 H137 H 12.84200 7.84200 -0.14700 1.000 H138 H 14.29600 0.76100 -0.03600 1.000 H139 H 12.11700 -2.92100 0.21700 1.000 H140 H 9.73600 -0.91900 1.42600 1.000 H141 H 9.51300 -0.20400 -0.18800 1.000 H142 H 9.70500 -1.96500 -0.01400 1.000 H143 H 20.48200 -2.56300 -0.13500 1.000 H144 H 18.99600 0.09300 -1.19300 1.000 H145 H 18.00800 0.34000 0.26800 1.000 H146 H 19.73800 -0.05300 0.41800 1.000 H147 H 4.01000 6.88000 -1.01700 1.000 H148 H 4.01300 7.07200 0.75200 1.000 H149 H 5.42700 5.04700 0.97000 1.000 H150 H 5.42400 4.85500 -0.79900 1.000 H151 H 6.50400 7.26700 0.72800 1.000 H152 H 6.50100 7.07500 -1.04200 1.000 H153 H 16.55300 -4.27900 -0.10900 1.000 H154 H -17.99300 -3.90700 -0.79000 1.000 H155 H -18.43600 -3.70900 0.92300 1.000 H156 H 16.52000 -8.81700 -1.07300 1.000 H157 H 16.56700 -9.68600 0.48000 1.000 H158 H 16.47800 -7.90800 0.45700 1.000 H159 H 21.83800 -9.34700 -0.05000 1.000