# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9PT' 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 0.37200 3.79900 -1.52600 1.000 C1 C -0.95700 4.35100 -1.00300 1.000 C2 C -1.48700 5.40900 -1.97200 1.000 C3 C 0.86600 2.69800 -0.58100 1.000 C4 C -9.74200 -0.27700 1.44500 1.000 C5 C -10.99500 -0.13500 0.85200 1.000 C6 C -11.40200 -1.02600 -0.10000 1.000 C7 C -10.52600 -2.06900 -0.45200 1.000 C8 C -10.87500 -3.02200 -1.42300 1.000 C9 C -10.00000 -4.01600 -1.73600 1.000 C10 C -8.76000 -4.10200 -1.10500 1.000 C11 C -8.38900 -3.19700 -0.15900 1.000 C12 C -9.26600 -2.15500 0.19100 1.000 N13 N -8.92600 -1.24700 1.11200 1.000 C14 C -7.62100 -1.34600 1.77000 1.000 C15 C -6.56400 -0.64800 0.91200 1.000 C16 C -5.20000 -0.75100 1.59900 1.000 C17 C -4.15900 -0.06300 0.75400 1.000 C18 C -3.32100 0.92400 1.14600 1.000 N19 N -3.87700 -0.31300 -0.53000 1.000 N20 N -2.93100 0.47100 -0.90900 1.000 N21 N -2.56700 1.23100 0.06500 1.000 C22 C -1.51700 2.25100 0.01200 1.000 C23 C -0.21100 1.61500 -0.47100 1.000 O24 O 0.20900 0.61800 0.46400 1.000 O25 O -1.90400 3.28600 -0.89400 1.000 O26 O -2.66500 6.00600 -1.42800 1.000 O27 O 1.33900 4.85000 -1.58100 1.000 O28 O 2.06800 2.12700 -1.10100 1.000 C29 C 2.95800 1.63400 -0.09700 1.000 C30 C 4.14600 0.93600 -0.76600 1.000 O31 O 3.68000 -0.18900 -1.51400 1.000 O32 O 3.43200 2.72300 0.69600 1.000 C33 C 4.31400 2.33600 1.75200 1.000 C34 C 4.73300 3.57400 2.54700 1.000 O35 O 3.58900 4.13200 3.19700 1.000 C36 C 5.55600 1.66700 1.15700 1.000 O37 O 6.41300 1.22600 2.21300 1.000 C38 C 5.12400 0.46400 0.31300 1.000 O39 O 6.27100 -0.12300 -0.30500 1.000 C40 C 6.15200 -1.52800 -0.53600 1.000 O41 O 6.07000 -2.21200 0.71600 1.000 C42 C 5.92200 -3.62900 0.59900 1.000 C43 C 5.81700 -4.24800 1.99400 1.000 O44 O 4.62000 -3.79300 2.62800 1.000 C45 C 7.13700 -4.20900 -0.12800 1.000 O46 O 6.96500 -5.61800 -0.29800 1.000 C47 C 7.27000 -3.54100 -1.50000 1.000 O48 O 8.44300 -4.02500 -2.15600 1.000 C49 C 7.37700 -2.02500 -1.30800 1.000 O50 O 7.42800 -1.38500 -2.58500 1.000 H51 H 0.22700 3.38500 -2.52300 1.000 H52 H -0.80300 4.80100 -0.02200 1.000 H53 H -0.72700 6.17600 -2.12400 1.000 H54 H -1.72500 4.93900 -2.92700 1.000 H55 H 1.06000 3.12300 0.40400 1.000 H56 H -9.43300 0.43500 2.19700 1.000 H57 H -11.64300 0.67700 1.14500 1.000 H58 H -12.37000 -0.93100 -0.57000 1.000 H59 H -11.83300 -2.96600 -1.91800 1.000 H60 H -10.27000 -4.74900 -2.48200 1.000 H61 H -8.08300 -4.90100 -1.37100 1.000 H62 H -7.42500 -3.27700 0.32000 1.000 H63 H -7.67000 -0.86700 2.74700 1.000 H64 H -7.35400 -2.39500 1.89200 1.000 H65 H -6.51500 -1.12700 -0.06600 1.000 H66 H -6.83000 0.40200 0.78900 1.000 H67 H -5.24900 -0.27100 2.57600 1.000 H68 H -4.93400 -1.80100 1.72100 1.000 H69 H -3.26500 1.37700 2.12500 1.000 H70 H -1.37000 2.67400 1.00600 1.000 H71 H -0.36800 1.15600 -1.44700 1.000 H72 H -0.42600 -0.10100 0.58400 1.000 H73 H -3.05700 6.68800 -1.99100 1.000 H74 H 1.09000 5.58200 -2.16200 1.000 H75 H 2.43100 0.92300 0.53900 1.000 H76 H 4.64900 1.63500 -1.43400 1.000 H77 H 3.05100 0.03700 -2.21300 1.000 H78 H 3.80500 1.63400 2.41200 1.000 H79 H 5.47400 3.29200 3.29500 1.000 H80 H 5.16300 4.31200 1.87000 1.000 H81 H 3.78100 4.92200 3.72000 1.000 H82 H 6.08900 2.38000 0.52800 1.000 H83 H 6.72200 1.93700 2.79100 1.000 H84 H 4.63500 -0.27300 0.95100 1.000 H85 H 5.25100 -1.72600 -1.11700 1.000 H86 H 5.01800 -3.85400 0.03200 1.000 H87 H 5.79300 -5.33400 1.90900 1.000 H88 H 6.68000 -3.94900 2.59000 1.000 H89 H 4.48800 -4.14700 3.51900 1.000 H90 H 8.03700 -4.02100 0.45900 1.000 H91 H 7.69900 -6.05200 -0.75200 1.000 H92 H 6.39300 -3.77200 -2.10400 1.000 H93 H 8.59000 -3.64300 -3.03200 1.000 H94 H 8.28100 -1.79100 -0.74600 1.000 H95 H 7.49100 -0.42100 -2.54000 1.000