# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '91R' 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 -5.34900 -3.06900 1.98600 1.000 C1 C -4.94800 -1.78300 1.37300 1.000 O2 O -4.65500 -4.05800 1.83500 1.000 C3 C -5.62200 -0.62200 1.47100 1.000 C4 C -3.27900 -3.39000 -0.96500 1.000 C5 C -1.96600 -3.64300 -1.74000 1.000 C6 C -0.88100 -2.96800 -0.87100 1.000 C7 C 0.17900 -2.31300 -1.75800 1.000 C8 C -4.89200 0.35300 0.74000 1.000 C9 C -5.24300 1.73100 0.57400 1.000 C10 C -5.53000 2.86100 0.43800 1.000 C11 C -5.89100 4.27800 0.26800 1.000 C12 C -4.83300 4.97400 -0.59200 1.000 C13 C -5.27000 6.41300 -0.87300 1.000 C14 C -3.79600 -0.27200 0.22600 1.000 C15 C -2.83200 -2.59200 0.28000 1.000 N16 N -3.83000 -1.57400 0.61900 1.000 O17 O -6.37100 -3.13600 2.64700 1.000 O18 O 3.85900 2.10300 -0.11800 1.000 O19 O 5.45000 0.39600 1.09500 1.000 O20 O 6.93700 2.41200 1.40600 1.000 O21 O 7.04200 0.61500 3.17500 1.000 O22 O 8.05500 0.23800 0.77800 1.000 O23 O -1.58900 -1.96600 -0.10900 1.000 O24 O -3.58500 4.98200 0.10400 1.000 O25 O -4.34200 7.02600 -1.77000 1.000 O26 O -1.71700 -5.04500 -1.85700 1.000 O27 O 1.23100 -1.79600 -0.94100 1.000 O28 O 2.07300 0.09200 -2.38800 1.000 O29 O 3.38000 -2.06700 -2.43100 1.000 O30 O 3.42500 -0.48100 -0.33500 1.000 O31 O 5.42500 0.61200 -1.42000 1.000 P32 P 2.51800 -1.03800 -1.54200 1.000 P33 P 4.55900 0.65600 -0.22100 1.000 P34 P 6.87200 0.94800 1.60900 1.000 H35 H -6.54600 -0.46200 2.00600 1.000 H36 H -3.97000 -2.80100 -1.56800 1.000 H37 H -3.73800 -4.33300 -0.66900 1.000 H38 H -2.00900 -3.18000 -2.72600 1.000 H39 H -0.42100 -3.69800 -0.20400 1.000 H40 H 0.58500 -3.05300 -2.44800 1.000 H41 H -0.27400 -1.49900 -2.32500 1.000 H42 H -6.86200 4.35000 -0.22300 1.000 H43 H -5.94000 4.76000 1.24400 1.000 H44 H -4.72100 4.43800 -1.53400 1.000 H45 H -6.26300 6.41000 -1.32300 1.000 H46 H -5.29700 6.97300 0.06200 1.000 H47 H -3.03000 0.18800 -0.38100 1.000 H48 H -2.67200 -3.26300 1.12400 1.000 H49 H 3.27500 2.20400 0.64700 1.000 H50 H 7.87900 0.91900 3.55300 1.000 H51 H 8.07400 -0.72500 0.86500 1.000 H52 H -3.61100 5.44400 0.95300 1.000 H53 H -4.55700 7.94200 -1.99300 1.000 H54 H -2.40000 -5.52700 -2.34300 1.000 H55 H 3.70400 -2.83500 -1.94100 1.000