# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '905' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -2.57200 1.85800 5.59500 1.000 C1 C -1.94100 0.94300 4.81700 1.000 C2 C -1.95800 1.07300 3.43900 1.000 C3 C -1.31700 0.13200 2.64400 1.000 N4 N -1.34000 0.26300 1.25800 1.000 C5 C -0.65900 -0.72400 0.41800 1.000 C6 C -1.37400 -0.83700 -0.90300 1.000 O7 O -2.35600 -0.15900 -1.12100 1.000 N8 N -0.92200 -1.69200 -1.84200 1.000 S9 S -1.70800 -1.81600 -3.29500 1.000 O10 O -0.89300 -2.65200 -4.10400 1.000 O11 O -3.07200 -2.05700 -2.97700 1.000 C12 C -1.66600 -0.22700 -4.05400 1.000 C13 C -0.61600 0.11300 -4.88700 1.000 C14 C -0.57900 1.35900 -5.48400 1.000 C15 C -1.59200 2.26800 -5.25200 1.000 C16 C -2.64900 1.93000 -4.41600 1.000 N17 N -3.67500 2.84700 -4.17900 1.000 C18 C -2.68500 0.67400 -3.82100 1.000 C19 C 0.76400 -0.28800 0.18300 1.000 C20 C 1.75300 -1.23500 -0.00700 1.000 F21 F 1.44300 -2.55000 0.01500 1.000 C22 C 3.06600 -0.83500 -0.22300 1.000 O23 O 4.03900 -1.76600 -0.41100 1.000 C24 C 5.26200 -1.05200 -0.60400 1.000 C25 C 6.40400 -2.04600 -0.82200 1.000 C26 C 3.38200 0.51300 -0.24700 1.000 C27 C 2.38800 1.46000 -0.05500 1.000 O28 O 2.69600 2.78400 -0.07800 1.000 C29 C 4.10200 2.87600 -0.31700 1.000 C30 C 4.51700 4.34900 -0.35400 1.000 C31 C 1.08000 1.05700 0.16500 1.000 C32 C -0.64600 -0.93800 3.23000 1.000 C33 C -0.62000 -1.07300 4.59900 1.000 C34 C -1.26700 -0.13500 5.40600 1.000 C35 C -1.23900 -0.27700 6.87500 1.000 N36 N -1.84400 0.60000 7.62700 1.000 N37 N -0.57500 -1.33800 7.45300 1.000 H38 H -1.92600 2.55100 5.79100 1.000 H39 H -2.47700 1.90300 2.98200 1.000 H40 H -1.80700 1.00900 0.84900 1.000 H41 H -0.66500 -1.69200 0.91800 1.000 H42 H -0.13700 -2.23400 -1.66800 1.000 H43 H 0.17700 -0.59600 -5.07100 1.000 H44 H 0.24200 1.62200 -6.13400 1.000 H45 H -1.56300 3.24200 -5.71800 1.000 H46 H -3.65000 3.72100 -4.59700 1.000 H47 H -4.41300 2.60900 -3.59500 1.000 H48 H -3.50600 0.40800 -3.17100 1.000 H49 H 5.47100 -0.44500 0.27600 1.000 H50 H 5.17100 -0.40500 -1.47700 1.000 H51 H 7.33700 -1.50100 -0.96900 1.000 H52 H 6.49500 -2.69200 0.05100 1.000 H53 H 6.19500 -2.65200 -1.70300 1.000 H54 H 4.40200 0.82600 -0.41500 1.000 H55 H 4.64100 2.36700 0.48200 1.000 H56 H 4.34000 2.40700 -1.27100 1.000 H57 H 5.59000 4.41900 -0.53700 1.000 H58 H 3.97900 4.85800 -1.15400 1.000 H59 H 4.27900 4.81800 0.59900 1.000 H60 H 0.30500 1.79500 0.31500 1.000 H61 H -0.14600 -1.66500 2.60700 1.000 H62 H -0.09900 -1.90600 5.04900 1.000 H63 H -1.82600 0.50600 8.59300 1.000 H64 H -0.55700 -1.43200 8.41800 1.000 H65 H -0.12500 -1.99100 6.89400 1.000