# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'COT' 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 -2.78100 -0.87800 13.45500 1.000 C1 C -3.54100 -0.18100 14.55400 1.000 C2 C -3.02500 0.17700 15.87700 1.000 C3 C -4.08700 0.80900 16.55000 1.000 C4 C -1.78900 0.03100 16.51000 1.000 C5 C -4.82000 0.22300 14.50800 1.000 N6 N -5.16400 0.81700 15.69200 1.000 C7 C -3.89300 1.27000 17.84800 1.000 C8 C -1.62100 0.49100 17.78500 1.000 C9 C -2.66700 1.10900 18.45600 1.000 S10 S 0.88500 0.74400 8.43100 1.000 C11 C 0.07800 -0.49000 9.48700 1.000 C12 C -0.68000 0.20600 10.58600 1.000 O13 O -0.67700 1.41700 10.65000 1.000 N14 N -1.36300 -0.51500 11.49600 1.000 C15 C -2.10100 0.16200 12.56500 1.000 O16 O 4.61400 -1.55600 -3.12700 1.000 P17 P 3.71000 -0.41800 -3.82100 1.000 O18 O 4.65200 0.56700 -4.67700 1.000 O19 O 3.00600 0.35700 -2.77500 1.000 O20 O 2.63000 -1.10900 -4.79500 1.000 O21 O -1.82300 1.23700 -9.96000 1.000 P22 P 1.76600 0.08000 -5.45100 1.000 O23 O 1.09200 0.84800 -4.38000 1.000 O24 O 2.74100 1.05700 -6.28000 1.000 O25 O 0.66100 -0.54300 -6.44200 1.000 C26 C -0.06800 0.55600 -6.98900 1.000 C27 C -1.14100 0.03000 -7.94600 1.000 C28 C -1.94000 1.20800 -8.53600 1.000 O29 O -4.30800 1.21400 -9.18500 1.000 O30 O -2.06800 -0.80200 -7.23000 1.000 P31 P -1.25300 2.69100 -10.35100 1.000 O32 O -1.09600 2.79400 -11.95000 1.000 O33 O -2.27700 3.82400 -9.83900 1.000 O34 O 0.06500 2.89300 -9.71100 1.000 C35 C -3.40500 0.91700 -8.11700 1.000 C36 C -3.36500 -0.60600 -7.83400 1.000 N37 N -4.43100 -0.98900 -6.90500 1.000 C38 C -4.36900 -0.94500 -5.54400 1.000 N39 N -5.49300 -1.35600 -5.03400 1.000 C40 C -6.34600 -1.69000 -6.03300 1.000 C41 C -7.66100 -2.18200 -6.08700 1.000 N42 N -8.37300 -2.42800 -4.92600 1.000 N43 N -8.20600 -2.40400 -7.27900 1.000 C44 C -7.53500 -2.17100 -8.39200 1.000 N45 N -6.30100 -1.71100 -8.39000 1.000 C46 C -5.67600 -1.45300 -7.24600 1.000 N47 N 3.12200 -0.38700 5.24500 1.000 C48 C 3.86000 0.13700 4.24600 1.000 O49 O 3.97900 1.34000 4.14800 1.000 C50 C 4.53600 -0.77000 3.25100 1.000 C51 C 5.30200 0.07300 2.23000 1.000 N52 N 5.95900 -0.80900 1.26300 1.000 C53 C 6.69700 -0.28400 0.26400 1.000 O54 O 6.76100 0.91900 0.12600 1.000 C55 C 7.44000 -1.19200 -0.68000 1.000 O56 O 8.33600 -0.41700 -1.47900 1.000 C57 C 6.44100 -1.91200 -1.58700 1.000 C58 C 5.54700 -0.88300 -2.28000 1.000 C59 C 5.57700 -2.85500 -0.74700 1.000 C60 C 7.20000 -2.72000 -2.64100 1.000 C61 C 2.46500 0.49500 6.21200 1.000 C62 C 1.69900 -0.34800 7.23300 1.000 H63 H -3.47200 -1.47200 12.85700 1.000 H64 H -2.02600 -1.53100 13.89300 1.000 H65 H -0.97000 -0.44800 15.99400 1.000 H66 H -5.47900 0.09900 13.66200 1.000 H67 H -6.03600 1.18900 15.89600 1.000 H68 H -4.70100 1.75300 18.37800 1.000 H69 H -0.66600 0.37300 18.27600 1.000 H70 H -2.51900 1.46900 19.46300 1.000 H71 H -0.61200 -1.08400 8.88800 1.000 H72 H 0.83300 -1.14300 9.92400 1.000 H73 H -1.36500 -1.48300 11.44500 1.000 H74 H -1.41000 0.75600 13.16300 1.000 H75 H -2.85600 0.81500 12.12700 1.000 H76 H 5.09100 0.02300 -5.34500 1.000 H77 H 3.15900 0.51800 -6.96500 1.000 H78 H -0.54300 1.11500 -6.18300 1.000 H79 H 0.61200 1.21000 -7.53300 1.000 H80 H -0.67400 -0.53900 -8.74800 1.000 H81 H -1.60100 2.15100 -8.10700 1.000 H82 H -5.18500 0.92500 -8.89700 1.000 H83 H -0.75300 3.67800 -12.14100 1.000 H84 H -3.12200 3.65600 -10.27800 1.000 H85 H -3.67200 1.47300 -7.21900 1.000 H86 H -3.44500 -1.17100 -8.76300 1.000 H87 H -3.51300 -0.61600 -4.97300 1.000 H88 H -9.28000 -2.76800 -4.97600 1.000 H89 H -7.96400 -2.26200 -4.06200 1.000 H90 H -8.01500 -2.36500 -9.33900 1.000 H91 H 3.02700 -1.34900 5.32300 1.000 H92 H 3.78400 -1.36900 2.73700 1.000 H93 H 5.23000 -1.42800 3.77400 1.000 H94 H 6.05300 0.67200 2.74500 1.000 H95 H 4.60800 0.73100 1.70800 1.000 H96 H 5.86400 -1.77100 1.34200 1.000 H97 H 8.00700 -1.92600 -0.10700 1.000 H98 H 7.79600 0.21800 -1.96800 1.000 H99 H 5.00600 -0.30700 -1.52900 1.000 H100 H 6.16200 -0.21100 -2.87900 1.000 H101 H 4.94400 -2.27000 -0.08000 1.000 H102 H 4.95200 -3.45800 -1.40500 1.000 H103 H 6.22000 -3.50800 -0.15700 1.000 H104 H 7.86700 -2.05900 -3.19600 1.000 H105 H 7.78600 -3.49800 -2.15100 1.000 H106 H 6.49000 -3.17900 -3.32900 1.000 H107 H 3.21700 1.09400 6.72700 1.000 H108 H 1.77100 1.15300 5.69000 1.000 H109 H 0.94800 -0.94700 6.71900 1.000 H110 H 2.39300 -1.00600 7.75600 1.000