# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9TD' 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 3.54300 0.22700 -0.19700 1.000 C1 C 2.85500 -1.10000 -0.00800 1.000 C2 C 1.45300 -1.17600 0.03800 1.000 C3 C 0.62700 0.02800 -0.09500 1.000 C4 C -1.43900 1.02500 -0.14500 1.000 C5 C -2.81400 0.99900 -0.76200 1.000 C6 C -3.70400 0.02700 0.01500 1.000 C7 C -5.07100 -0.06300 -0.62200 1.000 C8 C -5.97800 0.37400 0.33600 1.000 C9 C -3.98000 0.55800 1.40600 1.000 C10 C -7.33500 0.39800 0.01900 1.000 C11 C -7.76100 -0.00900 -1.22900 1.000 C12 C -6.84900 -0.44300 -2.17300 1.000 C13 C -5.50000 -0.46800 -1.86500 1.000 C14 C -0.96400 2.18600 0.43700 1.000 C15 C 0.86400 -2.44400 0.21600 1.000 C16 C 1.68600 -3.55000 0.33700 1.000 C17 C 1.07300 -4.91300 0.52700 1.000 C18 C 3.59100 -2.25800 0.11600 1.000 N19 N -0.67800 -0.07600 -0.16000 1.000 N20 N -5.30900 0.72900 1.50800 1.000 N21 N 2.99900 -3.42600 0.28700 1.000 O22 O 7.50000 0.64100 -0.50300 1.000 O23 O 5.68900 1.98500 -1.63700 1.000 O24 O 4.95800 0.03100 -0.21500 1.000 O25 O -3.15700 0.78400 2.26800 1.000 O26 O -0.27800 2.12800 1.44700 1.000 O27 O -1.25900 3.38900 -0.11200 1.000 O28 O -0.48700 -2.57700 0.26900 1.000 O29 O 5.91300 2.23000 0.86500 1.000 P30 P 6.00800 1.23800 -0.39900 1.000 H31 H 3.22500 0.67000 -1.14000 1.000 H32 H 3.27900 0.89300 0.62500 1.000 H33 H 1.09300 1.00100 -0.14000 1.000 H34 H -3.24800 1.99900 -0.72400 1.000 H35 H -2.74000 0.67400 -1.79900 1.000 H36 H -3.23900 -0.95800 0.06500 1.000 H37 H -8.05300 0.73500 0.75100 1.000 H38 H -8.81400 0.01000 -1.46900 1.000 H39 H -7.18800 -0.76100 -3.14800 1.000 H40 H -4.78400 -0.80600 -2.60000 1.000 H41 H 0.89900 -5.37300 -0.44600 1.000 H42 H 1.75200 -5.53800 1.10800 1.000 H43 H 0.12600 -4.81500 1.05700 1.000 H44 H 4.66900 -2.20900 0.07700 1.000 H45 H -5.75200 1.06200 2.30400 1.000 H46 H 8.18600 1.31300 -0.61500 1.000 H47 H -0.88300 4.14200 0.36500 1.000 H48 H -0.90100 -2.72800 -0.59200 1.000 H49 H 6.11100 1.80700 1.71200 1.000 H50 H -1.09200 -0.95100 -0.21800 1.000