# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TP' 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 -1.06100 -3.44900 -0.15900 1.000 C1 C -2.35700 -3.61500 -0.64300 1.000 C2 C -3.11100 -2.50300 -0.97200 1.000 C3 C -2.58700 -1.22700 -0.82500 1.000 C4 C -1.30900 -1.06100 -0.33600 1.000 C5 C -0.54600 -2.17400 -0.00900 1.000 C6 C -3.46700 -0.06200 -1.23700 1.000 C7 C -2.57700 1.15100 -1.41900 1.000 C8 C -1.80100 1.32600 -0.07500 1.000 C9 C -0.68200 0.30100 -0.11200 1.000 O10 O -0.52800 -4.68000 0.09200 1.000 C11 C -1.65100 -5.58000 0.14800 1.000 O12 O -2.63500 -4.95000 -0.69500 1.000 C13 C -3.26600 2.47700 -1.54800 1.000 O14 O -2.52200 3.40700 -0.90500 1.000 C15 C -1.35600 2.78600 -0.25900 1.000 C16 C -4.48800 0.21200 -0.16200 1.000 C17 C -5.73800 0.69100 -0.50400 1.000 C18 C -6.68000 0.94400 0.48200 1.000 C19 C -6.36400 0.71500 1.81600 1.000 C20 C -5.10600 0.23300 2.15600 1.000 C21 C -4.17200 -0.02300 1.16300 1.000 O22 O -4.30600 2.68100 -2.12700 1.000 O23 O -4.79200 0.00700 3.46000 1.000 C24 C -3.48100 -0.48900 3.73600 1.000 O25 O -7.28500 0.96300 2.78700 1.000 O26 O -7.90900 1.41600 0.14500 1.000 C27 C -8.16300 1.62900 -1.24500 1.000 O28 O 0.21600 0.60300 -1.18100 1.000 C29 C 1.55800 0.16700 -0.95400 1.000 O30 O 2.11100 0.88900 0.15200 1.000 C31 C 3.44900 0.50800 0.46300 1.000 C32 C 4.35000 0.82900 -0.73700 1.000 C33 C 3.85400 0.03500 -1.94600 1.000 C34 C 2.39300 0.41700 -2.21200 1.000 C35 C 3.97400 1.27100 1.67900 1.000 O36 O 5.35000 0.91900 1.87200 1.000 C37 C 6.18700 1.17500 0.74400 1.000 O38 O 5.69200 0.47700 -0.40400 1.000 C39 C 7.58800 0.70900 1.04600 1.000 S40 S 8.46900 -0.51300 0.13800 1.000 C41 C 9.86400 -0.33500 1.19400 1.000 C42 C 9.60700 0.58600 2.12400 1.000 C43 C 8.35300 1.16600 2.03900 1.000 O44 O 4.65000 0.35500 -3.08900 1.000 O45 O 1.88200 -0.37500 -3.28600 1.000 H46 H -4.11500 -2.63000 -1.34800 1.000 H47 H 0.45900 -2.04400 0.36400 1.000 H48 H -3.97200 -0.29300 -2.17500 1.000 H49 H -1.88200 0.99000 -2.24300 1.000 H50 H -2.44400 1.19400 0.79500 1.000 H51 H -0.14400 0.30900 0.83600 1.000 H52 H -1.37800 -6.55800 -0.25000 1.000 H53 H -2.01900 -5.67100 1.17000 1.000 H54 H -1.15600 3.25200 0.70600 1.000 H55 H -0.48100 2.84400 -0.90500 1.000 H56 H -5.98200 0.86900 -1.54100 1.000 H57 H -3.19500 -0.40200 1.42600 1.000 H58 H -3.34000 -1.44500 3.23100 1.000 H59 H -2.74000 0.22500 3.37500 1.000 H60 H -3.36200 -0.62400 4.81100 1.000 H61 H -7.85000 0.20600 2.99600 1.000 H62 H -7.45300 2.35600 -1.63800 1.000 H63 H -8.05400 0.68700 -1.78300 1.000 H64 H -9.17800 2.00600 -1.37600 1.000 H65 H 1.55900 -0.89900 -0.72700 1.000 H66 H 3.48300 -0.56300 0.66500 1.000 H67 H 4.29700 1.89600 -0.95600 1.000 H68 H 3.92200 -1.03200 -1.73600 1.000 H69 H 2.33700 1.47200 -2.48100 1.000 H70 H 3.89000 2.34300 1.50500 1.000 H71 H 3.39700 0.99500 2.56200 1.000 H72 H 6.20000 2.24500 0.53800 1.000 H73 H 10.78800 -0.88800 1.10300 1.000 H74 H 10.32400 0.86100 2.88300 1.000 H75 H 8.01800 1.92800 2.72700 1.000 H76 H 4.38900 -0.11500 -3.89300 1.000 H77 H 0.96100 -0.18500 -3.51200 1.000