# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CXT' 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 -1.29900 -0.12700 0.26200 1.000 O1 O -1.27600 -1.53300 0.00900 1.000 S2 S -5.63800 1.44100 0.25700 1.000 C3 C -2.54000 0.48800 -0.38900 1.000 O4 O -0.12500 0.47500 -0.28600 1.000 S5 S -5.83400 -2.85100 -0.55100 1.000 C6 C -3.79100 -0.20500 0.15900 1.000 O7 O -2.59700 1.90600 -0.08300 1.000 C8 C -3.68400 -1.71000 -0.10100 1.000 O9 O -4.95000 0.31200 -0.49700 1.000 C10 C -2.39800 -2.24000 0.54000 1.000 O11 O -4.81200 -2.37600 0.47100 1.000 C12 C -2.25300 -3.73200 0.23400 1.000 O13 O -6.86000 1.69200 -0.42300 1.000 C14 C -1.98500 2.73900 -0.94000 1.000 O15 O -5.57000 1.10200 1.63500 1.000 C16 C -2.00200 4.22500 -0.68800 1.000 O17 O -4.78300 2.68800 0.07900 1.000 C18 C -1.24000 4.94000 -1.80500 1.000 O19 O -5.91600 -1.83400 -1.54000 1.000 C20 C -1.97800 4.74700 -3.13100 1.000 O21 O -5.24600 -4.07400 -1.24000 1.000 C22 C -1.14900 6.43400 -1.48500 1.000 O23 O -6.95800 -3.30900 0.18800 1.000 O24 O -1.10900 -4.24900 0.91600 1.000 O25 O -1.42100 2.29800 -1.91300 1.000 C26 C 2.21900 0.10800 -0.69400 1.000 O27 O 8.23800 0.53700 -1.12600 1.000 C28 C 1.09700 0.05000 0.34000 1.000 O29 O 1.80900 -0.46000 4.11300 1.000 C30 C 1.40400 0.98400 1.50300 1.000 O31 O 3.31700 -1.48500 2.86400 1.000 C32 C 2.75800 0.68400 2.14500 1.000 O33 O 2.26300 2.23700 4.02500 1.000 C34 C 3.85800 0.54600 1.11700 1.000 O35 O 4.08300 2.54000 2.80900 1.000 C36 C 5.20000 0.16600 1.73600 1.000 C37 C 6.30400 0.42100 0.70300 1.000 C38 C 6.05200 -0.37300 -0.56000 1.000 C39 C 4.64200 -0.24300 -1.09900 1.000 C40 C 3.53600 -0.37300 -0.05900 1.000 C41 C 4.41100 -1.08700 -2.33800 1.000 C42 C 5.11800 -2.43100 -2.34500 1.000 C43 C 6.55900 -2.31200 -1.83900 1.000 C44 C 6.46700 -1.84400 -0.36100 1.000 C45 C 7.01000 0.08400 -1.69200 1.000 C46 C 7.23500 -1.14800 -2.54800 1.000 C47 C 2.64900 -0.49900 3.06600 1.000 C48 C 3.08500 1.89400 3.02100 1.000 C49 C 3.36400 -1.83000 0.35500 1.000 C50 C 7.88900 -1.20200 -3.68300 1.000 H51 H -1.32900 0.04800 1.33800 1.000 H52 H -2.49100 0.34900 -1.46900 1.000 H53 H -3.86800 -0.02300 1.23100 1.000 H54 H -3.65900 -1.89400 -1.17500 1.000 H55 H -2.44300 -2.09300 1.61900 1.000 H56 H -3.14500 -4.26100 0.56900 1.000 H57 H -2.13000 -3.87200 -0.84000 1.000 H58 H -3.03300 4.57800 -0.66700 1.000 H59 H -1.52600 4.43600 0.27000 1.000 H60 H -5.13300 3.47200 0.52300 1.000 H61 H -0.23500 4.52400 -1.88400 1.000 H62 H -2.04200 3.68200 -3.35900 1.000 H63 H -2.98200 5.16300 -3.05200 1.000 H64 H -1.43400 5.25600 -3.92700 1.000 H65 H -5.82100 -4.45900 -1.91600 1.000 H66 H -0.62400 6.57200 -0.54000 1.000 H67 H -0.60600 6.94400 -2.28100 1.000 H68 H -2.15400 6.85000 -1.40600 1.000 H69 H -0.95500 -5.19300 0.76700 1.000 H70 H 1.97000 -0.53300 -1.53700 1.000 H71 H 2.34800 1.13400 -1.03800 1.000 H72 H 8.88500 0.83800 -1.77900 1.000 H73 H 0.95200 -0.96700 0.69900 1.000 H74 H 1.77400 -1.24500 4.67600 1.000 H75 H 1.40000 2.01900 1.14800 1.000 H76 H 0.62200 0.88200 2.26300 1.000 H77 H 2.51100 3.00900 4.55100 1.000 H78 H 4.00600 1.56300 0.67400 1.000 H79 H 5.40300 0.77400 2.61700 1.000 H80 H 5.21300 -0.88400 2.02100 1.000 H81 H 6.33100 1.48600 0.45900 1.000 H82 H 7.26700 0.13100 1.12800 1.000 H83 H 4.56200 0.81700 -1.45900 1.000 H84 H 3.33800 -1.25300 -2.46900 1.000 H85 H 4.74800 -0.51300 -3.21300 1.000 H86 H 4.57200 -3.14500 -1.72700 1.000 H87 H 5.13400 -2.82100 -3.37000 1.000 H88 H 7.11700 -3.24300 -1.94800 1.000 H89 H 7.46000 -1.89900 0.11300 1.000 H90 H 5.76800 -2.43200 0.21300 1.000 H91 H 6.53500 0.87500 -2.26700 1.000 H92 H 4.24700 -2.15800 0.90500 1.000 H93 H 2.48400 -1.92600 0.99100 1.000 H94 H 3.23900 -2.44800 -0.53400 1.000 H95 H 7.98700 -2.14100 -4.20600 1.000 H96 H 8.33000 -0.30600 -4.09400 1.000