# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'MDL' 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 -3.93700 -0.66300 -1.77900 1.000 C1 C -3.85800 -0.21700 -0.38200 1.000 C2 C -2.49100 0.35700 -0.11400 1.000 O3 O -1.84900 0.84300 -1.02000 1.000 C4 C -4.92000 0.85500 -0.12800 1.000 C5 C -6.29100 0.24800 -0.27600 1.000 C6 C -6.92300 -0.30900 0.82000 1.000 C7 C -6.92000 0.25400 -1.50700 1.000 C8 C -8.18100 -0.86500 0.68400 1.000 C9 C -8.17600 -0.30700 -1.64400 1.000 C10 C -8.80800 -0.86400 -0.54800 1.000 C11 C -3.41400 -2.02800 -1.92700 1.000 N12 N -1.98100 0.33000 1.13400 1.000 C13 C -0.66400 0.84700 1.53300 1.000 C14 C 0.42200 0.09900 0.80400 1.000 O15 O 0.13300 -0.78400 0.02400 1.000 C16 C -0.52700 0.62700 3.05400 1.000 C17 C -2.00100 0.50500 3.52400 1.000 C18 C -2.65000 -0.22800 2.32300 1.000 N19 N 1.71600 0.41000 1.01900 1.000 C20 C 2.77200 -0.31700 0.31100 1.000 C21 C 4.02200 0.56100 0.21700 1.000 C22 C 3.72600 1.76600 -0.63700 1.000 C23 C 3.97200 1.89400 -1.95100 1.000 C24 C 3.10900 3.01900 -0.19300 1.000 C25 C 3.03600 3.84100 -1.33300 1.000 N26 N 3.56900 3.12800 -2.38300 1.000 C27 C 2.48800 5.11500 -1.22000 1.000 C28 C 2.02500 5.55400 0.00100 1.000 C29 C 2.09900 4.73900 1.12200 1.000 C30 C 2.63400 3.48500 1.03400 1.000 C31 C 3.10200 -1.58200 1.06200 1.000 O32 O 2.72700 -1.72200 2.20100 1.000 C33 C 3.89900 -2.67000 0.39100 1.000 F34 F 5.18700 -2.20200 0.11400 1.000 F35 F 3.97800 -3.78000 1.23900 1.000 C36 C 3.21100 -3.07500 -0.91500 1.000 F37 F 3.13200 -1.96500 -1.76300 1.000 F38 F 3.95100 -4.08600 -1.53800 1.000 F39 F 1.92300 -3.54400 -0.63800 1.000 H40 H -3.45300 -0.02200 -2.39100 1.000 H41 H -4.03200 -1.06500 0.28100 1.000 H42 H -4.80400 1.24900 0.88200 1.000 H43 H -4.80000 1.66300 -0.84900 1.000 H44 H -6.43400 -0.31000 1.78300 1.000 H45 H -6.42800 0.69300 -2.36300 1.000 H46 H -8.67500 -1.30100 1.54000 1.000 H47 H -8.66600 -0.30600 -2.60700 1.000 H48 H -9.79000 -1.30000 -0.65500 1.000 H49 H -3.56100 -2.36400 -2.95300 1.000 H50 H -2.34900 -2.03600 -1.69100 1.000 H51 H -3.94200 -2.69500 -1.24600 1.000 H52 H -0.60000 1.91100 1.30700 1.000 H53 H -0.04100 1.48000 3.52700 1.000 H54 H 0.02100 -0.29300 3.25900 1.000 H55 H -2.44700 1.48800 3.66900 1.000 H56 H -2.07300 -0.09300 4.43200 1.000 H57 H -3.72000 -0.02400 2.28800 1.000 H58 H -2.47000 -1.30100 2.39100 1.000 H59 H 1.94800 1.11600 1.64300 1.000 H60 H 2.42900 -0.57000 -0.69300 1.000 H61 H 4.31300 0.88600 1.21600 1.000 H62 H 4.83500 -0.01100 -0.23000 1.000 H63 H 4.42200 1.13500 -2.57400 1.000 H64 H 3.64400 3.45100 -3.29500 1.000 H65 H 2.42600 5.75700 -2.08600 1.000 H66 H 1.60000 6.54400 0.08600 1.000 H67 H 1.73100 5.09900 2.07100 1.000 H68 H 2.68800 2.85600 1.91000 1.000