# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CIS' 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 4.33400 18.01200 0.94700 1.000 C1 C 4.81200 16.66200 1.48700 1.000 C2 C 4.62900 15.58900 0.41100 1.000 C3 C 5.10700 14.24000 0.95100 1.000 C4 C 4.92400 13.16700 -0.12500 1.000 C5 C 5.40200 11.81700 0.41500 1.000 C6 C 5.21900 10.74500 -0.66100 1.000 C7 C 5.69700 9.39500 -0.12200 1.000 C8 C 5.51400 8.32200 -1.19700 1.000 C9 C 5.99200 6.97300 -0.65800 1.000 C10 C 5.80900 5.90000 -1.73300 1.000 C11 C 6.28700 4.55000 -1.19400 1.000 C12 C 6.10400 3.47700 -2.26900 1.000 C13 C 6.57500 2.14800 -1.73800 1.000 C14 C 5.77000 1.11400 -1.75300 1.000 C15 C 6.24100 -0.21500 -1.22200 1.000 O16 O 7.54500 -0.06700 -0.65600 1.000 C17 C 5.27100 -0.70700 -0.14600 1.000 C18 C 5.80100 -2.00600 0.46400 1.000 O19 O 6.02100 -2.96400 -0.57300 1.000 C20 C 6.51300 -4.14900 0.05700 1.000 C21 C 6.64800 -5.26100 -0.98500 1.000 O22 O 5.37600 -5.50700 -1.58900 1.000 O23 O 7.78600 -3.88000 0.64300 1.000 C24 C 8.15800 -5.02400 1.41000 1.000 C25 C 9.42400 -4.71000 2.20900 1.000 O26 O 9.14200 -3.68700 3.16600 1.000 C27 C 8.42600 -6.20800 0.47800 1.000 O28 O 9.46500 -5.86700 -0.44100 1.000 C29 C 7.14300 -6.53600 -0.29400 1.000 O30 O 7.41600 -7.54100 -1.27300 1.000 S31 S 6.99000 -8.87100 -0.66800 1.000 O32 O 5.46900 -8.89200 -0.63900 1.000 O33 O 7.37100 -9.86400 -1.61100 1.000 O34 O 7.40200 -8.82700 0.69100 1.000 N35 N 3.95700 -0.95100 -0.74800 1.000 C36 C 2.84700 -0.89500 0.01400 1.000 O37 O 2.93400 -0.64400 1.19700 1.000 C38 C 1.49600 -1.14600 -0.60500 1.000 C39 C 0.41200 -1.02400 0.46800 1.000 C40 C -0.95900 -1.27900 -0.16000 1.000 C41 C -2.04300 -1.15700 0.91300 1.000 C42 C -3.41400 -1.41200 0.28500 1.000 C43 C -4.49800 -1.29000 1.35800 1.000 C44 C -5.86900 -1.54400 0.73000 1.000 C45 C -6.95300 -1.42200 1.80300 1.000 C46 C -8.32400 -1.67700 1.17500 1.000 C47 C -9.40700 -1.55500 2.24900 1.000 C48 C -10.77900 -1.81000 1.62000 1.000 C49 C -11.86200 -1.68700 2.69400 1.000 C50 C -13.23400 -1.94200 2.06500 1.000 C51 C -14.30100 -1.82200 3.12300 1.000 C52 C -15.32300 -1.02400 2.93400 1.000 C53 C -15.51800 -0.35200 1.60000 1.000 C54 C -16.93200 -0.63300 1.08900 1.000 C55 C -17.13000 0.04900 -0.26600 1.000 C56 C -18.54400 -0.23300 -0.77700 1.000 C57 C -18.74300 0.44900 -2.13200 1.000 C58 C -20.15700 0.16800 -2.64300 1.000 C59 C -20.35500 0.85000 -3.99800 1.000 C60 C -21.76900 0.56800 -4.50900 1.000 H61 H 3.28000 17.94300 0.67800 1.000 H62 H 4.46400 18.77600 1.71300 1.000 H63 H 4.91700 18.27800 0.06600 1.000 H64 H 5.86600 16.73100 1.75500 1.000 H65 H 4.22900 16.39600 2.36800 1.000 H66 H 3.57500 15.52100 0.14200 1.000 H67 H 5.21200 15.85600 -0.47000 1.000 H68 H 6.16100 14.30900 1.21900 1.000 H69 H 4.52400 13.97400 1.83200 1.000 H70 H 3.87000 13.09800 -0.39400 1.000 H71 H 5.50700 13.43300 -1.00700 1.000 H72 H 6.45600 11.88600 0.68300 1.000 H73 H 4.81900 11.55100 1.29600 1.000 H74 H 4.16500 10.67600 -0.93000 1.000 H75 H 5.80200 11.01100 -1.54300 1.000 H76 H 6.75100 9.46400 0.14700 1.000 H77 H 5.11400 9.12900 0.76000 1.000 H78 H 4.46000 8.25300 -1.46600 1.000 H79 H 6.09700 8.58800 -2.07900 1.000 H80 H 7.04600 7.04200 -0.38900 1.000 H81 H 5.40900 6.70700 0.22400 1.000 H82 H 4.75500 5.83100 -2.00200 1.000 H83 H 6.39200 6.16600 -2.61500 1.000 H84 H 7.34100 4.61900 -0.92500 1.000 H85 H 5.70400 4.28400 -0.31200 1.000 H86 H 5.05000 3.40900 -2.53800 1.000 H87 H 6.68700 3.74400 -3.15100 1.000 H88 H 7.57600 2.04800 -1.34400 1.000 H89 H 4.76900 1.21500 -2.14600 1.000 H90 H 6.27900 -0.93900 -2.03600 1.000 H91 H 7.48100 0.62800 0.01400 1.000 H92 H 5.17800 0.05000 0.63300 1.000 H93 H 6.74100 -1.80700 0.98000 1.000 H94 H 5.07300 -2.39800 1.17400 1.000 H95 H 5.81600 -4.46300 0.83400 1.000 H96 H 7.36300 -4.96000 -1.75100 1.000 H97 H 5.10300 -4.68100 -2.01200 1.000 H98 H 7.35000 -5.27800 2.09600 1.000 H99 H 9.75900 -5.60900 2.72600 1.000 H100 H 10.20600 -4.36800 1.53100 1.000 H101 H 9.96400 -3.52000 3.64700 1.000 H102 H 8.72900 -7.07400 1.06700 1.000 H103 H 10.24900 -5.66200 0.08700 1.000 H104 H 6.38200 -6.89700 0.39800 1.000 H105 H 5.20800 -9.73900 -0.25400 1.000 H106 H 3.88700 -1.15200 -1.69400 1.000 H107 H 1.31400 -0.41300 -1.39000 1.000 H108 H 1.47200 -2.14900 -1.03200 1.000 H109 H 0.59400 -1.75800 1.25300 1.000 H110 H 0.43600 -0.02200 0.89600 1.000 H111 H -1.14100 -0.54500 -0.94500 1.000 H112 H -0.98300 -2.28200 -0.58700 1.000 H113 H -1.86100 -1.89100 1.69800 1.000 H114 H -2.01900 -0.15400 1.34100 1.000 H115 H -3.59600 -0.67800 -0.50000 1.000 H116 H -3.43700 -2.41400 -0.14200 1.000 H117 H -4.31600 -2.02300 2.14300 1.000 H118 H -4.47400 -0.28700 1.78600 1.000 H119 H -6.05100 -0.81000 -0.05500 1.000 H120 H -5.89200 -2.54700 0.30300 1.000 H121 H -6.77100 -2.15600 2.58900 1.000 H122 H -6.92900 -0.42000 2.23100 1.000 H123 H -8.50600 -0.94300 0.39000 1.000 H124 H -8.34700 -2.67900 0.74800 1.000 H125 H -9.22500 -2.28900 3.03400 1.000 H126 H -9.38400 -0.55200 2.67600 1.000 H127 H -10.96100 -1.07600 0.83500 1.000 H128 H -10.80200 -2.81200 1.19300 1.000 H129 H -11.68000 -2.42100 3.47900 1.000 H130 H -11.83900 -0.68500 3.12100 1.000 H131 H -13.41600 -1.20800 1.28000 1.000 H132 H -13.25700 -2.94500 1.63800 1.000 H133 H -14.22400 -2.39400 4.03600 1.000 H134 H -16.02500 -0.84700 3.73600 1.000 H135 H -15.37900 0.72400 1.71100 1.000 H136 H -14.79000 -0.74000 0.88700 1.000 H137 H -17.07100 -1.70900 0.97800 1.000 H138 H -17.66000 -0.24500 1.80100 1.000 H139 H -16.99200 1.12400 -0.15500 1.000 H140 H -16.40200 -0.33900 -0.97900 1.000 H141 H -18.68300 -1.30800 -0.88800 1.000 H142 H -19.27200 0.15600 -0.06500 1.000 H143 H -18.60400 1.52500 -2.02100 1.000 H144 H -18.01500 0.06100 -2.84500 1.000 H145 H -20.29500 -0.90800 -2.75400 1.000 H146 H -20.88500 0.55600 -1.93100 1.000 H147 H -20.21600 1.92500 -3.88700 1.000 H148 H -19.62700 0.46200 -4.71100 1.000 H149 H -21.90800 -0.50700 -4.62000 1.000 H150 H -22.49700 0.95700 -3.79700 1.000 H151 H -21.91000 1.05400 -5.47500 1.000