# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '941' 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 -5.88100 -0.16300 0.14600 1.000 C1 C -5.95400 -1.45800 0.63700 1.000 C2 C -4.79400 -2.20100 0.80400 1.000 C3 C -3.57000 -1.65000 0.47800 1.000 C4 C -3.49900 -0.35700 -0.00600 1.000 C5 C -4.65400 0.38500 -0.17400 1.000 C6 C -1.58200 0.94900 0.87200 1.000 N7 N -2.43500 2.08500 1.23000 1.000 C8 C -2.63600 3.08200 0.34500 1.000 C9 C -0.19300 1.44300 0.55900 1.000 N10 N 0.85000 0.59000 0.59900 1.000 C11 C 2.20000 1.07000 0.29400 1.000 C12 C 3.19200 -0.08900 0.41000 1.000 C13 C 5.59300 -0.74800 0.20900 1.000 C14 C 4.60200 0.41200 0.09300 1.000 O15 O 6.91000 -0.27900 -0.08800 1.000 O16 O -2.10900 3.03900 -0.74900 1.000 O17 O -3.42000 4.12600 0.67400 1.000 C18 C -7.78400 -2.36500 -0.28000 1.000 O19 O -0.01400 2.60700 0.27100 1.000 C20 C -2.16200 0.24300 -0.35600 1.000 C21 C -7.50900 -3.81800 -0.57100 1.000 C22 C -9.27100 -2.14600 -0.17500 1.000 O23 O -10.06600 -2.42400 -1.22000 1.000 O24 O -9.74800 -1.72100 0.85100 1.000 C25 C 7.74100 -1.34500 0.03100 1.000 C26 C 7.23500 -2.58600 0.38300 1.000 C27 C 8.07900 -3.67300 0.50500 1.000 C28 C 9.43600 -3.53800 0.27100 1.000 C29 C 9.96300 -2.30900 -0.08800 1.000 C30 C 9.11500 -1.19800 -0.21400 1.000 C31 C 9.66300 0.11300 -0.59500 1.000 O32 O 9.73800 0.42300 -1.76800 1.000 O33 O 10.08300 0.97000 0.35600 1.000 C34 C 10.62400 2.26400 -0.02000 1.000 O35 O 11.29400 -2.17900 -0.31600 1.000 O36 O -6.92500 -4.49600 0.24000 1.000 O37 O -7.91400 -4.35800 -1.73100 1.000 O38 O -7.16000 -1.99900 0.95200 1.000 C39 C -3.63500 5.20100 -0.27900 1.000 C40 C -4.28300 4.63700 -1.54500 1.000 C41 C -4.55700 6.25300 0.34000 1.000 C42 C -2.29400 5.84400 -0.63500 1.000 H43 H -6.78200 0.41700 0.01500 1.000 H44 H -4.84800 -3.20900 1.18700 1.000 H45 H -2.66600 -2.22800 0.60800 1.000 H46 H -4.59600 1.39300 -0.55600 1.000 H47 H -1.54000 0.25000 1.70700 1.000 H48 H -2.85600 2.12000 2.10300 1.000 H49 H 0.70600 -0.34100 0.82900 1.000 H50 H 2.47400 1.85500 0.99900 1.000 H51 H 2.22400 1.46800 -0.72000 1.000 H52 H 2.91700 -0.87400 -0.29500 1.000 H53 H 3.16800 -0.48800 1.42500 1.000 H54 H 5.31900 -1.53200 -0.49600 1.000 H55 H 5.56900 -1.14600 1.22300 1.000 H56 H 4.87600 1.19700 0.79800 1.000 H57 H 4.62600 0.81000 -0.92200 1.000 H58 H -7.38300 -1.75100 -1.08700 1.000 H59 H -2.28700 0.96400 -1.16400 1.000 H60 H -1.48200 -0.54600 -0.67600 1.000 H61 H -11.02000 -2.28300 -1.15200 1.000 H62 H 6.17700 -2.70300 0.56800 1.000 H63 H 7.67700 -4.63600 0.78400 1.000 H64 H 10.08600 -4.39500 0.36900 1.000 H65 H 11.50100 2.12100 -0.65100 1.000 H66 H 9.86900 2.82800 -0.56800 1.000 H67 H 10.90800 2.81400 0.87800 1.000 H68 H 11.70100 -1.94900 0.53000 1.000 H69 H -7.73700 -5.29100 -1.91700 1.000 H70 H -5.23900 4.17800 -1.29100 1.000 H71 H -4.44500 5.44300 -2.26000 1.000 H72 H -3.62600 3.88600 -1.98600 1.000 H73 H -4.09600 6.65500 1.24200 1.000 H74 H -4.71900 7.06000 -0.37500 1.000 H75 H -5.51300 5.79500 0.59400 1.000 H76 H -1.63700 5.09300 -1.07600 1.000 H77 H -2.45600 6.65000 -1.35000 1.000 H78 H -1.83200 6.24500 0.26700 1.000