# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CK5' 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 -1.85200 -0.95700 -5.45100 1.000 C1 C -0.66400 -0.45400 -5.02500 1.000 C2 C -0.34300 -0.48100 -3.67600 1.000 C3 C 0.86800 0.03800 -3.24400 1.000 C4 C 1.76100 0.57300 -4.16400 1.000 C5 C 1.44000 0.59300 -5.50800 1.000 C6 C 0.23100 0.08100 -5.94000 1.000 N7 N 1.19300 0.01700 -1.88400 1.000 C8 C 0.19800 0.16900 -0.93200 1.000 N9 N -1.03600 0.44100 -1.32700 1.000 C10 C -2.01600 0.59400 -0.44800 1.000 N11 N 0.50800 0.04200 0.34800 1.000 C12 C -0.42700 0.17700 1.28800 1.000 C13 C -1.74200 0.46600 0.89900 1.000 C14 C -0.08300 0.03100 2.71600 1.000 C15 C 1.12600 -0.24500 3.30300 1.000 C16 C 2.36400 -0.45200 2.46800 1.000 S17 S -1.12400 0.16600 4.16200 1.000 C18 C 0.10000 -0.14500 5.35200 1.000 N19 N 1.17400 -0.31800 4.61100 1.000 C20 C -0.03000 -0.19900 6.85200 1.000 H21 H -1.70600 -1.89300 -5.64500 1.000 H22 H -1.03800 -0.89800 -2.96300 1.000 H23 H 2.70600 0.97400 -3.83000 1.000 H24 H 2.13500 1.00900 -6.22200 1.000 H25 H -0.01700 0.09900 -6.99000 1.000 H26 H 2.11500 -0.10200 -1.60800 1.000 H27 H -3.01900 0.81600 -0.78300 1.000 H28 H -2.52300 0.58500 1.63500 1.000 H29 H 2.86600 0.50300 2.32100 1.000 H30 H 3.03600 -1.14100 2.98000 1.000 H31 H 2.08400 -0.86800 1.50100 1.000 H32 H 0.94100 -0.42000 7.29400 1.000 H33 H -0.38600 0.76300 7.22000 1.000 H34 H -0.74000 -0.97800 7.12700 1.000