# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JTG' 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 6.85400 6.50200 0.61600 1.000 C1 C 5.92800 6.06300 1.75400 1.000 C2 C 4.52800 6.63500 1.50800 1.000 C3 C 4.02800 6.16700 0.13900 1.000 C4 C 6.26300 6.03900 -0.71900 1.000 C5 C 16.87500 -13.77500 1.42000 1.000 C6 C 16.81700 -12.25300 1.56900 1.000 C7 C 15.48800 -11.73700 1.01600 1.000 C8 C 15.43000 -10.21500 1.16500 1.000 C9 C 14.10000 -9.69800 0.61200 1.000 C10 C 14.04300 -8.17700 0.76100 1.000 C11 C 12.71300 -7.66000 0.20800 1.000 C12 C 12.65500 -6.13900 0.35700 1.000 C13 C 11.32500 -5.62200 -0.19600 1.000 C14 C 11.26800 -4.10000 -0.04700 1.000 C15 C 9.93800 -3.58400 -0.60000 1.000 C16 C 9.88000 -2.06200 -0.45100 1.000 C17 C 8.55000 -1.54600 -1.00400 1.000 C18 C 8.49300 -0.02400 -0.85500 1.000 C19 C 7.16300 0.49300 -1.40800 1.000 O20 O 6.08900 -0.00700 -0.60800 1.000 C21 C 7.15600 2.02200 -1.37400 1.000 O22 O 8.23000 2.52100 -2.17300 1.000 C23 C 5.82600 2.53900 -1.92600 1.000 C24 C 5.87200 4.06500 -2.02100 1.000 O25 O 6.19500 4.61200 -0.74100 1.000 O26 O 8.14400 5.91600 0.79600 1.000 O27 O 6.43300 6.55400 2.99700 1.000 O28 O 4.95000 6.58100 -0.87100 1.000 C29 C 2.65500 6.78300 -0.14000 1.000 O30 O 2.13600 6.25600 -1.36300 1.000 O31 O 4.58400 8.06300 1.53400 1.000 C32 C 4.37600 8.62900 2.82900 1.000 C33 C 4.45600 10.13100 2.73900 1.000 C34 C 3.56300 10.87300 3.34600 1.000 N35 N 4.73700 2.13700 -1.03300 1.000 C36 C 3.48300 2.01500 -1.51200 1.000 O37 O 3.25600 2.23900 -2.68200 1.000 C38 C 2.36200 1.60200 -0.59300 1.000 C39 C 1.05300 1.54000 -1.38200 1.000 C40 C -0.08500 1.12100 -0.44900 1.000 C41 C -1.39500 1.05900 -1.23700 1.000 C42 C -2.53300 0.63900 -0.30400 1.000 C43 C -3.84200 0.57800 -1.09300 1.000 C44 C -4.98000 0.15800 -0.16000 1.000 C45 C -6.29000 0.09700 -0.94800 1.000 C46 C -7.42700 -0.32300 -0.01500 1.000 C47 C -8.73700 -0.38400 -0.80400 1.000 C48 C -9.87500 -0.80400 0.12900 1.000 C49 C -11.18500 -0.86600 -0.65900 1.000 C50 C -12.32200 -1.28500 0.27400 1.000 C51 C -13.63200 -1.34700 -0.51500 1.000 C52 C -14.77000 -1.76700 0.41800 1.000 C53 C -16.08000 -1.82800 -0.37000 1.000 C54 C -17.21700 -2.24800 0.56300 1.000 C55 C -18.52700 -2.30900 -0.22600 1.000 C56 C -19.66500 -2.72900 0.70700 1.000 C57 C -20.97400 -2.79000 -0.08100 1.000 C58 C -22.11200 -3.21000 0.85100 1.000 C59 C -23.42200 -3.27200 0.06300 1.000 C60 C -24.55900 -3.69100 0.99600 1.000 C61 C -25.86900 -3.75300 0.20700 1.000 C62 C -27.00700 -4.17300 1.14000 1.000 H63 H 6.94400 7.58800 0.61700 1.000 H64 H 5.87700 4.97500 1.78400 1.000 H65 H 3.84900 6.28300 2.28500 1.000 H66 H 3.94600 5.08000 0.13400 1.000 H67 H 6.89600 6.38600 -1.53600 1.000 H68 H 16.79200 -14.04000 0.36600 1.000 H69 H 17.82300 -14.14300 1.81400 1.000 H70 H 16.05200 -14.22600 1.97400 1.000 H71 H 16.90000 -11.98800 2.62300 1.000 H72 H 17.64100 -11.80200 1.01500 1.000 H73 H 15.40500 -12.00200 -0.03800 1.000 H74 H 14.66400 -12.18700 1.57000 1.000 H75 H 15.51300 -9.95000 2.21900 1.000 H76 H 16.25300 -9.76400 0.61100 1.000 H77 H 14.01700 -9.96400 -0.44200 1.000 H78 H 13.27700 -10.14900 1.16600 1.000 H79 H 14.12500 -7.91100 1.81500 1.000 H80 H 14.86600 -7.72600 0.20700 1.000 H81 H 12.63000 -7.92500 -0.84600 1.000 H82 H 11.88900 -8.11100 0.76200 1.000 H83 H 12.73800 -5.87300 1.41100 1.000 H84 H 13.47900 -5.68800 -0.19700 1.000 H85 H 11.24200 -5.88700 -1.25000 1.000 H86 H 10.50200 -6.07300 0.35800 1.000 H87 H 11.35100 -3.83500 1.00700 1.000 H88 H 12.09100 -3.65000 -0.60100 1.000 H89 H 9.85500 -3.84900 -1.65400 1.000 H90 H 9.11400 -4.03500 -0.04600 1.000 H91 H 9.96300 -1.79700 0.60300 1.000 H92 H 10.70400 -1.61200 -1.00500 1.000 H93 H 8.46700 -1.81100 -2.05800 1.000 H94 H 7.72700 -1.99600 -0.45000 1.000 H95 H 8.57600 0.24100 0.19900 1.000 H96 H 9.31600 0.42700 -1.40900 1.000 H97 H 7.04000 0.15100 -2.43600 1.000 H98 H 6.13400 0.25800 0.32100 1.000 H99 H 7.27900 2.36300 -0.34600 1.000 H100 H 8.22800 2.19500 -3.08300 1.000 H101 H 5.65700 2.11800 -2.91800 1.000 H102 H 6.63000 4.36200 -2.74500 1.000 H103 H 4.89800 4.43800 -2.34000 1.000 H104 H 8.78200 6.14800 0.10600 1.000 H105 H 7.32000 6.23700 3.21400 1.000 H106 H 1.97500 6.54100 0.67700 1.000 H107 H 2.75300 7.86600 -0.22300 1.000 H108 H 1.26600 6.60400 -1.60300 1.000 H109 H 3.39200 8.33900 3.19800 1.000 H110 H 5.14200 8.26500 3.51300 1.000 H111 H 5.25000 10.59700 2.17400 1.000 H112 H 3.62000 11.94900 3.28200 1.000 H113 H 2.76900 10.40700 3.91100 1.000 H114 H 4.91800 1.95800 -0.09700 1.000 H115 H 2.58000 0.62000 -0.17300 1.000 H116 H 2.26700 2.32900 0.21400 1.000 H117 H 0.83500 2.52300 -1.80100 1.000 H118 H 1.14800 0.81400 -2.18800 1.000 H119 H 0.13300 0.13900 -0.02900 1.000 H120 H -0.18000 1.84700 0.35800 1.000 H121 H -1.61300 2.04100 -1.65700 1.000 H122 H -1.30000 0.33300 -2.04400 1.000 H123 H -2.31500 -0.34300 0.11600 1.000 H124 H -2.62800 1.36600 0.50300 1.000 H125 H -4.06000 1.56000 -1.51200 1.000 H126 H -3.74700 -0.14900 -1.89900 1.000 H127 H -4.76200 -0.82400 0.26000 1.000 H128 H -5.07500 0.88500 0.64700 1.000 H129 H -6.50800 1.07900 -1.36800 1.000 H130 H -6.19400 -0.63000 -1.75500 1.000 H131 H -7.21000 -1.30500 0.40400 1.000 H132 H -7.52300 0.40400 0.79100 1.000 H133 H -8.95500 0.59800 -1.22300 1.000 H134 H -8.64200 -1.11100 -1.61000 1.000 H135 H -9.65700 -1.78600 0.54900 1.000 H136 H -9.97000 -0.07700 0.93600 1.000 H137 H -11.40300 0.11600 -1.07900 1.000 H138 H -11.08900 -1.59200 -1.46600 1.000 H139 H -12.10400 -2.26700 0.69300 1.000 H140 H -12.41800 -0.55900 1.08000 1.000 H141 H -13.85000 -0.36500 -0.93400 1.000 H142 H -13.53700 -2.07400 -1.32100 1.000 H143 H -14.55200 -2.74900 0.83800 1.000 H144 H -14.86500 -1.04000 1.22500 1.000 H145 H -16.29700 -0.84600 -0.79000 1.000 H146 H -15.98400 -2.55500 -1.17700 1.000 H147 H -16.99900 -3.23000 0.98200 1.000 H148 H -17.31200 -1.52100 1.36900 1.000 H149 H -18.74500 -1.32700 -0.64600 1.000 H150 H -18.43200 -3.03600 -1.03300 1.000 H151 H -19.44700 -3.71100 1.12700 1.000 H152 H -19.76000 -2.00200 1.51400 1.000 H153 H -21.19200 -1.80800 -0.50100 1.000 H154 H -20.87900 -3.51700 -0.88800 1.000 H155 H -21.89400 -4.19200 1.27100 1.000 H156 H -22.20700 -2.48400 1.65800 1.000 H157 H -23.64000 -2.28900 -0.35700 1.000 H158 H -23.32700 -3.99800 -0.74400 1.000 H159 H -24.34200 -4.67400 1.41600 1.000 H160 H -24.65500 -2.96500 1.80300 1.000 H161 H -26.08700 -2.77100 -0.21200 1.000 H162 H -25.77400 -4.48000 -0.59900 1.000 H163 H -26.78900 -5.15500 1.56000 1.000 H164 H -27.10200 -3.44600 1.94700 1.000 H165 H -27.94000 -4.21600 0.57900 1.000