# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JTM' 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 6.10600 -4.51100 1.27200 1.000 C1 C 2.54900 -5.48900 0.72800 1.000 C2 C 3.88700 -4.81700 0.41500 1.000 C3 C 4.42300 -5.34400 -0.91900 1.000 C4 C 5.79100 -4.71300 -1.19600 1.000 C5 C 6.73100 -5.02600 -0.02800 1.000 C6 C 15.63600 15.68000 -2.08600 1.000 C7 C 15.66300 14.15100 -2.13700 1.000 C8 C 14.35900 13.59800 -1.55800 1.000 C9 C 14.38600 12.06900 -1.60900 1.000 C10 C 13.08200 11.51700 -1.03100 1.000 C11 C 13.10900 9.98800 -1.08200 1.000 C12 C 11.80400 9.43500 -0.50300 1.000 C13 C 11.83100 7.90600 -0.55400 1.000 C14 C 10.52700 7.35400 0.02400 1.000 C15 C 10.55400 5.82500 -0.02700 1.000 C16 C 9.25000 5.27200 0.55200 1.000 C17 C 9.27700 3.74300 0.50100 1.000 C18 C 7.97300 3.19100 1.07900 1.000 C19 C 8.00000 1.66200 1.02800 1.000 C20 C 6.69500 1.10900 1.60700 1.000 O21 O 5.60200 1.49600 0.77200 1.000 C22 C 6.77300 -0.41800 1.67100 1.000 O23 O 7.86600 -0.80500 2.50600 1.000 C24 C 5.46800 -0.97000 2.25000 1.000 C25 C 5.59600 -2.48300 2.44200 1.000 O26 O 5.96000 -3.09200 1.20200 1.000 O27 O 7.98900 -4.38100 -0.24100 1.000 O28 O 6.33200 -5.25400 -2.40300 1.000 O29 O 4.82400 -5.11400 1.45300 1.000 O30 O 1.99300 -4.91500 1.91300 1.000 O31 O 4.55800 -6.76500 -0.85200 1.000 C32 C 4.38300 -7.42500 -2.10800 1.000 C33 C 4.54500 -8.91100 -1.92100 1.000 C34 C 3.44600 -9.69400 -1.61900 1.000 C35 C 3.59500 -11.05700 -1.44700 1.000 C36 C 4.84300 -11.63900 -1.57800 1.000 Cl37 Cl 5.03000 -13.35100 -1.36300 1.000 C38 C 5.94200 -10.85600 -1.88000 1.000 C39 C 5.79200 -9.49300 -2.05600 1.000 N40 N 4.36600 -0.68700 1.32700 1.000 C41 C 3.10300 -0.60400 1.79100 1.000 O42 O 2.87900 -0.76500 2.97200 1.000 C43 C 1.97000 -0.31300 0.84200 1.000 C44 C 0.65200 -0.27400 1.61800 1.000 C45 C -0.49900 0.02200 0.65500 1.000 C46 C -1.81700 0.06200 1.43100 1.000 C47 C -2.96800 0.35800 0.46700 1.000 C48 C -4.28600 0.39700 1.24400 1.000 C49 C -5.43700 0.69300 0.28000 1.000 C50 C -6.75400 0.73300 1.05700 1.000 C51 C -7.90500 1.02800 0.09300 1.000 C52 C -9.22300 1.06800 0.87000 1.000 C53 C -10.37400 1.36400 -0.09400 1.000 C54 C -11.69200 1.40300 0.68300 1.000 C55 C -12.84300 1.69900 -0.28100 1.000 C56 C -14.16100 1.73800 0.49500 1.000 C57 C -15.31200 2.03400 -0.46800 1.000 C58 C -16.63000 2.07400 0.30800 1.000 C59 C -17.78100 2.37000 -0.65500 1.000 C60 C -19.09800 2.40900 0.12100 1.000 C61 C -20.25000 2.70500 -0.84200 1.000 C62 C -21.56700 2.74500 -0.06600 1.000 C63 C -22.71800 3.04000 -1.03000 1.000 C64 C -24.03600 3.08000 -0.25300 1.000 C65 C -25.18700 3.37600 -1.21700 1.000 C66 C -26.50500 3.41500 -0.44000 1.000 C67 C -27.65600 3.71100 -1.40400 1.000 H68 H 6.75100 -4.76900 2.11200 1.000 H69 H 1.86200 -5.33700 -0.10500 1.000 H70 H 2.70400 -6.55700 0.88000 1.000 H71 H 3.74700 -3.73900 0.35000 1.000 H72 H 3.73100 -5.08100 -1.71900 1.000 H73 H 5.68100 -3.63300 -1.29600 1.000 H74 H 6.88000 -6.10300 0.04100 1.000 H75 H 15.53000 16.00700 -1.05200 1.000 H76 H 16.56500 16.07300 -2.49800 1.000 H77 H 14.79400 16.04800 -2.67200 1.000 H78 H 15.76900 13.82300 -3.17100 1.000 H79 H 16.50500 13.78200 -1.55100 1.000 H80 H 14.25300 13.92500 -0.52400 1.000 H81 H 13.51700 13.96600 -2.14400 1.000 H82 H 14.49200 11.74200 -2.64400 1.000 H83 H 15.22800 11.70100 -1.02300 1.000 H84 H 12.97600 11.84400 0.00400 1.000 H85 H 12.24000 11.88500 -1.61700 1.000 H86 H 13.21500 9.66000 -2.11600 1.000 H87 H 13.95100 9.61900 -0.49600 1.000 H88 H 11.69800 9.76200 0.53100 1.000 H89 H 10.96200 9.80300 -1.08900 1.000 H90 H 11.93800 7.57900 -1.58900 1.000 H91 H 12.67400 7.53800 0.03200 1.000 H92 H 10.42100 7.68100 1.05900 1.000 H93 H 9.68500 7.72200 -0.56200 1.000 H94 H 10.66000 5.49700 -1.06100 1.000 H95 H 11.39600 5.45600 0.55900 1.000 H96 H 9.14400 5.59900 1.58600 1.000 H97 H 8.40800 5.64000 -0.03400 1.000 H98 H 9.38300 3.41600 -0.53400 1.000 H99 H 10.11900 3.37500 1.08700 1.000 H100 H 7.86600 3.51800 2.11400 1.000 H101 H 7.13000 3.55900 0.49300 1.000 H102 H 8.10600 1.33400 -0.00600 1.000 H103 H 8.84200 1.29300 1.61400 1.000 H104 H 6.54500 1.50800 2.61000 1.000 H105 H 5.66900 1.17500 -0.13800 1.000 H106 H 6.92300 -0.81700 0.66800 1.000 H107 H 7.83800 -0.42100 3.39400 1.000 H108 H 5.26800 -0.49700 3.21100 1.000 H109 H 6.36400 -2.69000 3.18800 1.000 H110 H 4.64200 -2.88800 2.78000 1.000 H111 H 8.63400 -4.53600 0.46200 1.000 H112 H 7.20200 -4.90300 -2.63600 1.000 H113 H 1.14200 -5.29300 2.17200 1.000 H114 H 3.38600 -7.21400 -2.49300 1.000 H115 H 5.13000 -7.06400 -2.81500 1.000 H116 H 2.47200 -9.24000 -1.51600 1.000 H117 H 2.73600 -11.66800 -1.21000 1.000 H118 H 6.91700 -11.30900 -1.98200 1.000 H119 H 6.65000 -8.88100 -2.29300 1.000 H120 H 4.54500 -0.55900 0.38200 1.000 H121 H 2.13700 0.65100 0.36100 1.000 H122 H 1.92100 -1.09400 0.08300 1.000 H123 H 0.48400 -1.23700 2.09900 1.000 H124 H 0.70100 0.50700 2.37700 1.000 H125 H -0.33200 0.98600 0.17400 1.000 H126 H -0.54800 -0.75900 -0.10400 1.000 H127 H -1.98400 -0.90200 1.91200 1.000 H128 H -1.76800 0.84300 2.19000 1.000 H129 H -2.80100 1.32100 -0.01400 1.000 H130 H -3.01600 -0.42300 -0.29100 1.000 H131 H -4.45300 -0.56700 1.72500 1.000 H132 H -4.23700 1.17800 2.00300 1.000 H133 H -5.26900 1.65700 -0.20100 1.000 H134 H -5.48500 -0.08800 -0.47900 1.000 H135 H -6.92200 -0.23100 1.53800 1.000 H136 H -6.70600 1.51300 1.81600 1.000 H137 H -7.73800 1.99200 -0.38800 1.000 H138 H -7.95400 0.24700 -0.66600 1.000 H139 H -9.39100 0.10400 1.35000 1.000 H140 H -9.17500 1.84900 1.62800 1.000 H141 H -10.20700 2.32800 -0.57500 1.000 H142 H -10.42300 0.58300 -0.85300 1.000 H143 H -11.85900 0.43900 1.16300 1.000 H144 H -11.64400 2.18400 1.44100 1.000 H145 H -12.67600 2.66300 -0.76200 1.000 H146 H -12.89200 0.91800 -1.04000 1.000 H147 H -14.32800 0.77500 0.97600 1.000 H148 H -14.11200 2.52000 1.25400 1.000 H149 H -15.14400 2.99800 -0.94900 1.000 H150 H -15.36100 1.25300 -1.22700 1.000 H151 H -16.79700 1.11000 0.78900 1.000 H152 H -16.58100 2.85500 1.06700 1.000 H153 H -17.61300 3.33300 -1.13600 1.000 H154 H -17.82900 1.58900 -1.41400 1.000 H155 H -19.26600 1.44600 0.60200 1.000 H156 H -19.05000 3.19000 0.88000 1.000 H157 H -20.08200 3.66900 -1.32300 1.000 H158 H -20.29800 1.92400 -1.60100 1.000 H159 H -21.73500 1.78100 0.41500 1.000 H160 H -21.51900 3.52600 0.69300 1.000 H161 H -22.55100 4.00400 -1.51000 1.000 H162 H -22.76700 2.25900 -1.78800 1.000 H163 H -24.20300 2.11600 0.22800 1.000 H164 H -23.98700 3.86100 0.50600 1.000 H165 H -25.02000 4.34000 -1.69700 1.000 H166 H -25.23600 2.59500 -1.97500 1.000 H167 H -26.67200 2.45100 0.04100 1.000 H168 H -26.45600 4.19600 0.31900 1.000 H169 H -28.59500 3.73900 -0.85000 1.000 H170 H -27.48900 4.67500 -1.88500 1.000 H171 H -27.70400 2.93000 -2.16200 1.000