# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9KG' 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 -4.21200 -0.25000 -1.49600 1.000 C1 C -1.64600 2.25300 0.59600 1.000 N2 N -4.45800 -2.09600 -0.07600 1.000 N3 N 3.09000 1.27800 -1.18200 1.000 C4 C -0.39400 2.79200 2.57600 1.000 N5 N 4.25800 -6.02300 0.40800 1.000 C6 C -1.49300 4.52700 1.34000 1.000 C7 C -2.91100 1.81700 -1.37100 1.000 C8 C -3.67700 -1.26200 -0.78800 1.000 C9 C -1.96100 3.59200 0.43400 1.000 C10 C -5.79500 -1.92800 -0.06000 1.000 C11 C -6.37100 -0.86700 -0.80100 1.000 C12 C -5.56500 -0.04600 -1.50700 1.000 C13 C 0.53800 0.05300 1.17900 1.000 C14 C 0.90400 -1.26400 1.34700 1.000 C15 C 2.02300 -1.77100 0.66600 1.000 C16 C 2.76700 -0.91900 -0.19000 1.000 C17 C 2.37000 0.42600 -0.34400 1.000 C18 C 1.26800 0.89500 0.33700 1.000 C19 C 2.41700 -3.11000 0.82000 1.000 C20 C 3.52600 -3.57700 0.13400 1.000 C21 C 4.25500 -2.72000 -0.71100 1.000 C22 C 3.88800 -1.42300 -0.87100 1.000 C23 C 3.93400 -4.94100 0.28700 1.000 C24 C 0.10500 -2.15900 2.26000 1.000 C25 C 4.12100 1.99300 -0.69100 1.000 C26 C 4.88100 2.89100 -1.57400 1.000 C27 C 2.72600 1.39400 -2.59600 1.000 C28 C 5.89800 3.59700 -1.08900 1.000 C29 C -0.85900 1.85100 1.67100 1.000 C30 C -0.71200 4.12700 2.40800 1.000 C31 C -3.33600 0.64500 -2.25700 1.000 O32 O -0.54800 0.53700 1.83500 1.000 O33 O -2.10900 1.33200 -0.29200 1.000 O34 O -2.47300 -1.42600 -0.79200 1.000 O35 O -6.50200 -2.68200 0.58400 1.000 O36 O 4.42400 1.89700 0.48400 1.000 H37 H -4.05600 -2.82000 0.42900 1.000 H38 H 0.21600 2.48300 3.41100 1.000 H39 H -1.73900 5.57000 1.21300 1.000 H40 H -2.33300 2.52800 -1.96100 1.000 H41 H -3.79700 2.31100 -0.97200 1.000 H42 H -2.57100 3.90700 -0.40000 1.000 H43 H -7.44000 -0.71600 -0.80000 1.000 H44 H -5.98500 0.76900 -2.07700 1.000 H45 H 0.96500 1.92500 0.21900 1.000 H46 H 1.86000 -3.77000 1.46900 1.000 H47 H 5.11800 -3.09900 -1.23800 1.000 H48 H 4.45700 -0.77800 -1.52400 1.000 H49 H -0.68900 -2.64200 1.69000 1.000 H50 H 0.75900 -2.91800 2.68700 1.000 H51 H -0.33300 -1.56300 3.06000 1.000 H52 H 4.61200 2.97700 -2.61600 1.000 H53 H 3.27900 0.65400 -3.17600 1.000 H54 H 1.65600 1.22100 -2.71100 1.000 H55 H 2.97300 2.39400 -2.95400 1.000 H56 H 6.45600 4.25600 -1.73800 1.000 H57 H 6.16700 3.51100 -0.04600 1.000 H58 H -0.35000 4.86000 3.11400 1.000 H59 H -2.45200 0.09700 -2.58400 1.000 H60 H -3.87200 1.02300 -3.12800 1.000