# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9LU' 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 7.00300 0.22100 -0.77800 1.000 C1 C 6.02500 0.64900 0.31800 1.000 C2 C 4.62200 0.14200 -0.02300 1.000 C3 C 3.62300 0.67400 1.00600 1.000 C4 C 1.54800 1.50900 2.52800 1.000 C5 C -1.07300 1.02900 1.77700 1.000 C6 C -0.33300 -0.24400 -0.24700 1.000 C7 C 0.07000 -2.63400 0.48300 1.000 C8 C -2.03100 -2.07000 0.17000 1.000 C9 C -3.25000 -1.29600 -0.14300 1.000 C10 C -5.59000 -1.23900 -0.66000 1.000 C11 C -6.75000 0.92900 -1.04800 1.000 C12 C -8.15800 2.58000 -1.52600 1.000 O13 O 8.89000 -0.06200 -2.62100 1.000 C14 C 9.30900 0.50900 -1.64200 1.000 C15 C 8.37800 0.83100 -0.50100 1.000 O16 O 2.29900 0.29800 0.62400 1.000 C17 C 1.27800 0.78100 1.37900 1.000 C18 C 0.50800 1.99400 3.29700 1.000 C19 C -0.80200 1.75500 2.92200 1.000 C20 C -0.03700 0.54700 1.00200 1.000 N21 N -0.75000 -1.59900 0.12100 1.000 C22 C 1.57400 -2.59300 0.58200 1.000 C23 C -0.72100 -3.69500 0.73900 1.000 N24 N -1.99300 -3.33000 0.54200 1.000 C25 C -4.45900 -1.95800 -0.36900 1.000 C26 C -5.53300 0.15500 -0.72900 1.000 C27 C -6.81300 2.27400 -1.24200 1.000 C28 C -8.84300 1.42000 -1.49300 1.000 O29 O -7.98900 0.42400 -1.20400 1.000 C30 C -4.32500 0.81800 -0.49600 1.000 C31 C -3.19400 0.09900 -0.20700 1.000 O32 O 10.60400 0.85600 -1.57000 1.000 H33 H 7.08300 -0.86700 -0.78900 1.000 H34 H 6.63900 0.56800 -1.74500 1.000 H35 H 6.34100 0.22700 1.27200 1.000 H36 H 6.01100 1.73700 0.38800 1.000 H37 H 4.34100 0.49200 -1.01700 1.000 H38 H 4.61500 -0.94800 -0.00700 1.000 H39 H 3.85200 0.25300 1.98500 1.000 H40 H 3.69300 1.76100 1.05300 1.000 H41 H 2.57000 1.69300 2.82400 1.000 H42 H -2.09700 0.84700 1.48400 1.000 H43 H -1.13300 0.24400 -0.80400 1.000 H44 H 0.56200 -0.29500 -0.86600 1.000 H45 H -6.52400 -1.75200 -0.84000 1.000 H46 H -8.56500 3.55900 -1.73200 1.000 H47 H 8.28300 1.91200 -0.40400 1.000 H48 H 8.78000 0.41600 0.42400 1.000 H49 H 0.71700 2.56100 4.19300 1.000 H50 H -1.61300 2.13500 3.52500 1.000 H51 H 2.00800 -2.77900 -0.40000 1.000 H52 H 1.88700 -1.61100 0.93700 1.000 H53 H 1.91300 -3.35800 1.28000 1.000 H54 H -0.38500 -4.67400 1.04900 1.000 H55 H -4.50300 -3.03600 -0.31500 1.000 H56 H -5.99100 2.97200 -1.18700 1.000 H57 H -9.90300 1.30900 -1.66900 1.000 H58 H -4.28100 1.89600 -0.55100 1.000 H59 H -2.26000 0.61100 -0.02800 1.000 H60 H 11.16200 0.62900 -2.32600 1.000