# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COJ' 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 5.62300 4.39700 -1.85500 1.000 C1 C -0.51400 -0.76500 -4.28200 1.000 C2 C -0.70700 -2.21900 -4.71800 1.000 C3 C -0.71300 -2.29700 -6.24600 1.000 C4 C -0.99400 -3.71400 -6.67500 1.000 O5 O -1.17100 -4.57300 -5.84400 1.000 O6 O -1.04800 -4.02200 -7.98000 1.000 C7 C -0.84600 -0.59500 -2.81000 1.000 C8 C 5.39200 3.64200 -2.76900 1.000 O9 O 5.53500 4.05900 -4.03700 1.000 C10 C 2.97100 0.37000 -1.15200 1.000 C11 C 2.60300 0.25400 -2.47000 1.000 C12 C 1.32300 -0.08800 -2.89700 1.000 C13 C 0.97200 -0.36800 -4.34900 1.000 C14 C 1.15900 0.88700 -5.20300 1.000 C15 C 1.81500 -1.52200 -4.89600 1.000 C16 C -3.52700 0.55200 0.89000 1.000 C17 C -4.67400 0.29400 1.87000 1.000 C18 C -5.87200 1.11600 1.46900 1.000 O19 O -7.06100 0.89800 2.05300 1.000 O20 O -5.76200 1.97000 0.62200 1.000 C21 C -2.24500 -0.21200 1.30700 1.000 O22 O -5.09400 2.75600 -3.22600 1.000 C23 C -2.10500 -0.74300 -2.31300 1.000 O24 O -3.45100 4.20100 -2.91200 1.000 C25 C -2.42000 -0.50600 -0.96200 1.000 C26 C -3.80600 -0.10400 -0.48600 1.000 C27 C -4.70100 -1.33500 -0.32600 1.000 C28 C -4.44000 0.89900 -1.45000 1.000 C29 C -3.53700 2.12800 -1.57300 1.000 C30 C -4.08500 3.05100 -2.63000 1.000 C31 C 4.94200 2.23200 -2.48600 1.000 C32 C -1.09700 1.53800 4.46200 1.000 C33 C -2.40300 -0.55900 3.97900 1.000 C34 C -2.34400 -0.82700 5.46000 1.000 O35 O -1.42100 -0.40400 6.11500 1.000 O36 O -3.31800 -1.53700 6.05300 1.000 C37 C 0.09700 -0.52400 3.61300 1.000 C38 C 0.83600 -0.29800 4.93400 1.000 C39 C -1.20600 0.30000 3.56800 1.000 C40 C -3.20600 -1.18200 -3.25200 1.000 N41 N 0.05200 0.59700 1.54600 1.000 N42 N 2.19300 0.25900 -0.08400 1.000 N43 N 0.25700 -0.25900 -2.15600 1.000 N44 N -1.60300 -0.59000 0.03900 1.000 C45 C -1.30600 0.70400 2.08500 1.000 C46 C -1.78900 2.15600 1.98200 1.000 C47 C 1.22700 -1.64800 5.53700 1.000 C48 C 4.82400 1.54700 1.60900 1.000 C49 C 5.09000 -0.92400 1.21800 1.000 C50 C 4.48600 -2.12000 0.52900 1.000 O51 O 3.59600 -1.97000 -0.27300 1.000 O52 O 4.93800 -3.35300 0.80700 1.000 C53 C 4.40400 0.58400 -0.68700 1.000 C54 C 4.86100 2.01600 -0.97400 1.000 C55 C 4.31200 0.33400 0.82900 1.000 C56 C 2.08100 -1.42500 6.75800 1.000 O57 O 2.54400 -2.47500 7.45500 1.000 O58 O 2.34900 -0.30000 7.11000 1.000 C59 C 0.89600 0.03100 2.44900 1.000 C60 C 2.24000 -0.08300 2.30900 1.000 C61 C 3.08900 -0.46000 3.49400 1.000 C62 C 2.82800 0.13800 1.05900 1.000 H63 H -1.11900 -0.09600 -4.89400 1.000 H64 H 0.10800 -2.82700 -4.32600 1.000 H65 H -1.65500 -2.59100 -4.33100 1.000 H66 H -1.48700 -1.63800 -6.64000 1.000 H67 H 0.25800 -1.98700 -6.63000 1.000 H68 H -1.22800 -4.93100 -8.25600 1.000 H69 H 5.82400 4.96400 -4.21800 1.000 H70 H 3.36900 0.43600 -3.22400 1.000 H71 H 2.20300 1.19700 -5.16900 1.000 H72 H 0.87700 0.67000 -6.23300 1.000 H73 H 0.52900 1.68700 -4.81400 1.000 H74 H 2.87300 -1.28500 -4.78000 1.000 H75 H 1.58400 -2.43400 -4.34500 1.000 H76 H 1.58900 -1.66900 -5.95200 1.000 H77 H -3.33400 1.62000 0.78600 1.000 H78 H -4.93600 -0.76300 1.85100 1.000 H79 H -4.36200 0.57400 2.87600 1.000 H80 H -7.82900 1.42500 1.79600 1.000 H81 H -2.50200 -1.08400 1.89000 1.000 H82 H -3.80300 4.79300 -3.59000 1.000 H83 H -4.81300 -1.83100 -1.29000 1.000 H84 H -4.24600 -2.02400 0.38500 1.000 H85 H -5.68000 -1.02800 0.04000 1.000 H86 H -4.55800 0.43700 -2.43000 1.000 H87 H -5.41600 1.20200 -1.07100 1.000 H88 H -3.50300 2.65100 -0.61700 1.000 H89 H -2.53100 1.81400 -1.85000 1.000 H90 H 5.65700 1.53000 -2.91600 1.000 H91 H 3.96000 2.06700 -2.93000 1.000 H92 H -1.05000 1.22800 5.50600 1.000 H93 H -0.19500 2.09200 4.20600 1.000 H94 H -1.97000 2.17300 4.31100 1.000 H95 H -3.32800 -0.03200 3.74200 1.000 H96 H -2.37500 -1.50400 3.43700 1.000 H97 H -3.28000 -1.70900 7.00400 1.000 H98 H -0.11100 -1.58300 3.46600 1.000 H99 H 1.73300 0.29200 4.75200 1.000 H100 H 0.18500 0.23400 5.62700 1.000 H101 H -2.77800 -1.43000 -4.22300 1.000 H102 H -3.70600 -2.05900 -2.84100 1.000 H103 H -3.92800 -0.37300 -3.36800 1.000 H104 H 0.31500 0.89100 0.66000 1.000 H105 H -1.85000 2.44500 0.93200 1.000 H106 H -2.77400 2.24500 2.44100 1.000 H107 H -1.08700 2.81100 2.49800 1.000 H108 H 0.32700 -2.19600 5.81800 1.000 H109 H 1.78800 -2.22500 4.80200 1.000 H110 H 4.67300 1.38300 2.67600 1.000 H111 H 5.88700 1.68400 1.40900 1.000 H112 H 4.27800 2.43700 1.29700 1.000 H113 H 6.13100 -0.81600 0.91400 1.000 H114 H 5.03900 -1.06300 2.29800 1.000 H115 H 4.55100 -4.12100 0.36500 1.000 H116 H 5.07500 -0.13400 -1.15700 1.000 H117 H 4.14600 2.71800 -0.54500 1.000 H118 H 5.84300 2.18000 -0.53000 1.000 H119 H 3.09100 -2.33100 8.23900 1.000 H120 H 4.12300 -0.58400 3.17500 1.000 H121 H 3.03200 0.32600 4.24600 1.000 H122 H 2.72400 -1.39500 3.91900 1.000