# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9K4' 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 10.44700 -0.85300 -0.03000 1.000 C1 C 8.13500 -0.84000 -0.92600 1.000 C2 C 5.96300 -0.86100 -2.06600 1.000 C3 C 0.35100 1.86600 1.67300 1.000 C4 C -0.75800 2.91900 1.62700 1.000 C5 C -2.67100 3.61000 0.35800 1.000 C6 C -5.53800 0.19600 -1.48300 1.000 F7 F 15.57700 -2.88900 0.70200 1.000 C8 C 14.84400 -1.75800 0.60600 1.000 C9 C 15.43400 -0.58500 0.16200 1.000 F10 F 16.74300 -0.57100 -0.17400 1.000 C11 C 14.68200 0.57300 0.06400 1.000 C12 C 13.34100 0.55700 0.40800 1.000 F13 F 12.60600 1.68700 0.31200 1.000 C14 C 12.75300 -0.61500 0.85100 1.000 C15 C 11.29300 -0.63100 1.22500 1.000 N16 N 10.72200 -2.18800 -0.57700 1.000 C17 C 8.96400 -0.74400 0.32900 1.000 N18 N 6.79100 -0.76900 -0.85300 1.000 C19 C 4.98700 0.32000 -2.08400 1.000 N20 N 4.23700 0.35100 -0.82100 1.000 C21 C 3.17200 1.36100 -0.86500 1.000 C22 C 2.27600 1.20000 0.33600 1.000 N23 N 1.22200 2.02300 0.50600 1.000 O24 O -1.59600 2.67800 0.49500 1.000 C25 C -3.49700 3.25800 -0.88100 1.000 O26 O -4.12200 1.98700 -0.69100 1.000 C27 C -4.92200 1.56100 -1.79500 1.000 O28 O -6.44500 0.32200 -0.38600 1.000 C29 C -7.07800 -0.90300 -0.01200 1.000 C30 C -8.02100 -0.65000 1.16600 1.000 O31 O -9.08200 0.21200 0.75000 1.000 C32 C -10.02500 0.51300 1.78100 1.000 C33 C -11.11000 1.43800 1.22600 1.000 O34 O -11.85600 0.74800 0.22100 1.000 C35 C -12.90000 1.52800 -0.36500 1.000 C36 C -13.62800 0.69300 -1.42100 1.000 O37 O -14.28600 -0.40600 -0.78800 1.000 C38 C -15.00000 -1.25400 -1.69100 1.000 C39 C -15.66100 -2.39000 -0.90800 1.000 N40 N -16.67800 -1.83700 -0.01000 1.000 C41 C -17.39400 -2.65800 0.78300 1.000 C42 C -18.44000 -2.08900 1.70800 1.000 O43 O -17.19800 -3.85400 0.75300 1.000 O44 O 2.50200 0.32900 1.14800 1.000 C45 C 5.13000 0.57700 0.32400 1.000 C46 C 6.11300 -0.59900 0.44100 1.000 O47 O 8.67700 -0.98200 -2.00200 1.000 C48 C 13.50200 -1.77300 0.94500 1.000 H49 H 10.69700 -0.09700 -0.77500 1.000 H50 H 6.60100 -0.82200 -2.94800 1.000 H51 H 5.40500 -1.79700 -2.05800 1.000 H52 H 0.93700 1.99500 2.58400 1.000 H53 H -0.09200 0.87000 1.66500 1.000 H54 H -1.35300 2.86000 2.53800 1.000 H55 H -0.31500 3.91100 1.54600 1.000 H56 H -3.30500 3.56600 1.24300 1.000 H57 H -2.26700 4.61700 0.25100 1.000 H58 H -6.07500 -0.16900 -2.35800 1.000 H59 H -4.74800 -0.50800 -1.22200 1.000 H60 H 15.14100 1.48700 -0.28100 1.000 H61 H 11.02500 0.32200 1.68000 1.000 H62 H 11.10800 -1.43700 1.93500 1.000 H63 H 10.49900 -2.90700 0.09500 1.000 H64 H 10.22400 -2.33500 -1.44200 1.000 H65 H 8.69300 -1.55500 1.00500 1.000 H66 H 8.77700 0.21300 0.81500 1.000 H67 H 5.54300 1.25000 -2.19900 1.000 H68 H 4.29300 0.20600 -2.91600 1.000 H69 H 3.61500 2.35700 -0.85700 1.000 H70 H 2.58600 1.23200 -1.77600 1.000 H71 H 1.04100 2.72000 -0.14400 1.000 H72 H -4.26200 4.01900 -1.03600 1.000 H73 H -2.84500 3.21500 -1.75300 1.000 H74 H -4.29900 1.48400 -2.68700 1.000 H75 H -5.71600 2.28700 -1.96900 1.000 H76 H -7.64700 -1.29100 -0.85600 1.000 H77 H -6.32000 -1.63000 0.28000 1.000 H78 H -8.43700 -1.59800 1.50900 1.000 H79 H -7.46900 -0.18000 1.98000 1.000 H80 H -10.48200 -0.41000 2.13700 1.000 H81 H -9.51400 1.00800 2.60800 1.000 H82 H -11.77800 1.73900 2.03300 1.000 H83 H -10.64500 2.32300 0.79000 1.000 H84 H -13.60600 1.83000 0.40800 1.000 H85 H -12.47300 2.41400 -0.83400 1.000 H86 H -14.36500 1.31400 -1.93000 1.000 H87 H -12.90700 0.31600 -2.14700 1.000 H88 H -15.76600 -0.67300 -2.20600 1.000 H89 H -14.30800 -1.67100 -2.42200 1.000 H90 H -16.13100 -3.08500 -1.60400 1.000 H91 H -14.90700 -2.91600 -0.32300 1.000 H92 H -16.83500 -0.88000 0.01400 1.000 H93 H -18.47300 -1.00500 1.59600 1.000 H94 H -19.41400 -2.51000 1.45700 1.000 H95 H -18.19000 -2.34100 2.73800 1.000 H96 H 5.68400 1.50400 0.17500 1.000 H97 H 4.53900 0.64900 1.23700 1.000 H98 H 5.56800 -1.50800 0.69300 1.000 H99 H 6.85000 -0.38400 1.21500 1.000 H100 H 13.04200 -2.68700 1.29000 1.000