# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '91T' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 5.98400 2.38500 1.66700 1.000 C1 C 5.23600 1.20500 1.17700 1.000 O2 O 7.08500 2.24200 2.16900 1.000 C3 C 5.66000 -0.07100 1.22900 1.000 C4 C 3.59100 3.10400 -0.96800 1.000 C5 C 2.30300 3.88100 -1.33600 1.000 C6 C 1.19400 3.17600 -0.53200 1.000 C7 C 0.11800 2.64700 -1.48200 1.000 C8 C 4.64200 -0.87800 0.65500 1.000 C9 C 4.66800 -2.30100 0.50300 1.000 C10 C 4.69000 -3.46800 0.37900 1.000 C11 C 4.71700 -4.93200 0.22200 1.000 C12 C 3.42100 -5.39800 -0.44300 1.000 C13 C 3.39400 -6.92700 -0.49200 1.000 C14 C 3.63500 -0.04100 0.27800 1.000 C15 C 3.19300 2.43100 0.37000 1.000 N16 N 3.99900 1.23000 0.60300 1.000 O17 O 5.50200 3.49800 1.56300 1.000 O18 O -3.74500 -1.75400 -0.28200 1.000 O19 O -5.28100 -0.10600 1.07400 1.000 O20 O -7.87500 0.18300 0.75800 1.000 O21 O -6.84700 -2.08200 1.18800 1.000 O22 O -6.90100 -0.45400 3.11500 1.000 O23 O 1.80600 2.08200 0.17100 1.000 O24 O 3.35300 -4.87700 -1.77200 1.000 O25 O 2.13400 -7.36500 -1.00600 1.000 O26 O 2.41500 5.25000 -0.94100 1.000 O27 O -0.96100 2.09900 -0.72300 1.000 O28 O -3.08300 2.59100 -2.19500 1.000 O29 O -1.86100 0.38700 -2.34400 1.000 O30 O -3.21000 0.82100 -0.25500 1.000 O31 O -5.24000 -0.08800 -1.44900 1.000 P32 P -2.27000 1.45100 -1.40000 1.000 P33 P -4.38800 -0.27800 -0.25400 1.000 P34 P -6.72800 -0.64600 1.52600 1.000 H35 H 6.60000 -0.41700 1.63100 1.000 H36 H 3.82400 2.35600 -1.72600 1.000 H37 H 4.42900 3.78600 -0.82600 1.000 H38 H 2.10500 3.80600 -2.40500 1.000 H39 H 0.75000 3.87400 0.17800 1.000 H40 H -0.25200 3.46400 -2.10200 1.000 H41 H 0.54500 1.87200 -2.11900 1.000 H42 H 5.56700 -5.21500 -0.39900 1.000 H43 H 4.81200 -5.40000 1.20200 1.000 H44 H 2.56700 -5.03800 0.13200 1.000 H45 H 4.19400 -7.28400 -1.14000 1.000 H46 H 3.53400 -7.32600 0.51200 1.000 H47 H 2.70800 -0.33500 -0.19300 1.000 H48 H 3.30000 3.13000 1.19900 1.000 H49 H -7.85700 1.13400 0.93300 1.000 H50 H 4.08200 -5.15700 -2.34100 1.000 H51 H 2.04700 -8.32600 -1.06600 1.000 H52 H 3.13600 5.72700 -1.37400 1.000 H53 H -3.38300 3.32200 -1.63700 1.000 H54 H -7.75200 -0.75800 3.45800 1.000 H55 H -3.17300 -1.94800 0.47400 1.000