# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JOC' 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 -7.56900 -1.82200 -0.81800 1.000 C1 C -7.41100 -3.02000 -0.83200 1.000 C2 C -8.60600 -3.93700 -0.81000 1.000 C3 C -6.02000 -3.59600 -0.87700 1.000 O4 O -6.04000 -4.83900 -1.58200 1.000 C5 C -5.51400 -3.82500 0.55000 1.000 O6 O -6.42200 -4.68000 1.24800 1.000 C7 C -5.42400 -2.47600 1.27100 1.000 C8 C -5.08400 -2.61800 -1.59200 1.000 C9 C -3.68400 -3.22800 -1.68800 1.000 O10 O -5.02100 -1.39500 -0.85500 1.000 C11 C -4.51100 -1.54100 0.47400 1.000 O12 O -4.46600 -0.26200 1.11100 1.000 C13 C -3.55100 0.65500 0.50900 1.000 C14 C -3.53500 1.98400 1.30300 1.000 C15 C -2.10100 2.40600 1.62900 1.000 O16 O -4.31800 1.87500 2.49300 1.000 C17 C -4.19100 2.97800 0.29600 1.000 O18 O -5.09200 2.09300 -0.45200 1.000 C19 C -4.07300 1.08700 -0.88600 1.000 C20 C -4.84400 4.20700 0.93200 1.000 O21 O -5.40400 5.03200 -0.09100 1.000 C22 C -5.68900 6.36800 0.33100 1.000 O23 O -5.87700 3.78800 1.82600 1.000 C24 C -6.27800 4.79000 2.76200 1.000 O25 O -3.16000 3.27000 -0.68400 1.000 C26 C -3.03100 2.05900 -1.49200 1.000 C27 C -1.63700 1.52000 -1.35500 1.000 C28 C -0.64800 1.99400 -2.22000 1.000 C29 C -1.01100 3.02100 -3.26100 1.000 O30 O -2.27100 0.07800 0.43700 1.000 C31 C -1.32700 0.57800 -0.40300 1.000 C32 C -0.00200 0.09600 -0.31000 1.000 C33 C 0.98900 0.59900 -1.18500 1.000 C34 C 0.63600 1.54900 -2.14500 1.000 C35 C 2.31400 0.11700 -1.09700 1.000 O36 O 3.26500 0.60000 -1.94000 1.000 C37 C 3.36500 -0.01600 -3.22500 1.000 C38 C 2.64700 -0.82800 -0.17200 1.000 C39 C 1.66700 -1.33100 0.70900 1.000 C40 C 0.34700 -0.87800 0.64300 1.000 O41 O -0.58800 -1.37200 1.48900 1.000 C42 C 4.07100 -1.31400 -0.11900 1.000 C43 C 4.40300 -1.90100 1.25000 1.000 C44 C 3.38800 -2.99900 1.59300 1.000 O45 O 3.36000 -3.97700 0.55200 1.000 C46 C 2.03000 -2.33900 1.71500 1.000 O47 O 1.26800 -2.63200 2.61200 1.000 O48 O 4.95000 -0.21900 -0.38500 1.000 C49 C 6.13400 -0.58400 -1.09700 1.000 O50 O 7.01500 -1.29400 -0.22400 1.000 C51 C 7.40600 -0.55700 0.93700 1.000 C52 C 8.32000 -1.42200 1.80600 1.000 C53 C 8.15600 0.70700 0.50700 1.000 C54 C 7.25500 1.53800 -0.41200 1.000 O55 O 6.09500 1.95800 0.30900 1.000 C56 C 8.02300 2.76400 -0.90900 1.000 C57 C 6.83200 0.67900 -1.60700 1.000 O58 O 9.36500 0.33600 -0.20500 1.000 C59 C 10.47800 0.17100 0.52800 1.000 O60 O 10.44200 0.33200 1.72500 1.000 C61 C 11.77100 -0.21400 -0.14200 1.000 H62 H -9.52000 -3.34300 -0.78300 1.000 H63 H -8.60400 -4.55900 -1.70600 1.000 H64 H -8.56000 -4.57300 0.07400 1.000 H65 H -6.34900 -4.76800 -2.49500 1.000 H66 H -4.52700 -4.28800 0.51800 1.000 H67 H -6.16700 -4.86200 2.16300 1.000 H68 H -6.41800 -2.03700 1.34700 1.000 H69 H -5.01200 -2.62400 2.27000 1.000 H70 H -5.46300 -2.41900 -2.59500 1.000 H71 H -3.73200 -4.16100 -2.24900 1.000 H72 H -3.01800 -2.53200 -2.19700 1.000 H73 H -3.30500 -3.42700 -0.68500 1.000 H74 H -3.50600 -1.96200 0.43300 1.000 H75 H -2.10900 3.39100 2.09600 1.000 H76 H -1.65600 1.68300 2.31200 1.000 H77 H -1.51600 2.44500 0.71000 1.000 H78 H -4.41100 2.70500 2.98000 1.000 H79 H -4.41400 0.27900 -1.53400 1.000 H80 H -4.09300 4.77200 1.48500 1.000 H81 H -4.86100 6.74300 0.93300 1.000 H82 H -5.82000 7.00400 -0.54400 1.000 H83 H -6.60200 6.37400 0.92600 1.000 H84 H -5.39400 5.22600 3.22800 1.000 H85 H -6.83700 5.56900 2.24400 1.000 H86 H -6.90800 4.34000 3.52900 1.000 H87 H -3.26600 2.26300 -2.53700 1.000 H88 H -0.87800 4.02100 -2.84700 1.000 H89 H -0.36700 2.89900 -4.13200 1.000 H90 H -2.05200 2.88600 -3.55700 1.000 H91 H 1.38000 1.93000 -2.82800 1.000 H92 H 3.50500 -1.09100 -3.10300 1.000 H93 H 2.45200 0.17000 -3.79000 1.000 H94 H 4.21600 0.40100 -3.76300 1.000 H95 H -0.67000 -0.87800 2.31600 1.000 H96 H 4.21500 -2.08000 -0.88100 1.000 H97 H 5.40600 -2.32700 1.22900 1.000 H98 H 4.35800 -1.11500 2.00400 1.000 H99 H 3.65700 -3.47000 2.53800 1.000 H100 H 2.73700 -4.70000 0.70800 1.000 H101 H 5.86900 -1.22000 -1.94100 1.000 H102 H 6.51900 -0.27800 1.50600 1.000 H103 H 9.20700 -1.70000 1.23700 1.000 H104 H 8.61800 -0.86000 2.69100 1.000 H105 H 7.78700 -2.32200 2.11100 1.000 H106 H 8.41600 1.29300 1.38900 1.000 H107 H 5.44600 2.43100 -0.23100 1.000 H108 H 8.90600 2.44100 -1.46100 1.000 H109 H 7.38100 3.35500 -1.56300 1.000 H110 H 8.33000 3.37100 -0.05700 1.000 H111 H 7.71400 0.39900 -2.18500 1.000 H112 H 6.14700 1.24400 -2.23800 1.000 H113 H 11.60900 -0.31400 -1.21500 1.000 H114 H 12.52000 0.55600 0.04200 1.000 H115 H 12.12100 -1.16400 0.26200 1.000