# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9K7' 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 3.94600 3.06500 -1.52000 1.000 C1 C 3.07900 1.92600 -1.04900 1.000 C2 C 4.33300 1.91300 1.04000 1.000 N3 N 4.28600 -6.06500 -0.61600 1.000 C4 C -0.04500 -2.88600 1.98100 1.000 C5 C 4.03700 -1.29000 -0.35300 1.000 C6 C 4.38900 -2.57900 -0.59100 1.000 N7 N 3.27700 1.38900 0.17200 1.000 C8 C 3.97400 -4.99300 -0.40800 1.000 C9 C 3.58100 -3.64100 -0.14500 1.000 C10 C -2.05600 3.08500 1.58700 1.000 C11 C -1.67900 1.75800 1.46600 1.000 C12 C -2.61700 1.79000 -0.71900 1.000 C13 C -1.78500 3.77700 2.75300 1.000 C14 C -1.13700 3.14800 3.79900 1.000 C15 C -0.75800 1.82300 3.68500 1.000 C16 C -1.02700 1.12300 2.52000 1.000 C17 C -2.82800 0.86500 -1.92000 1.000 C18 C -5.06300 -0.06800 -1.71400 1.000 C19 C -5.46100 -2.20800 -0.86600 1.000 C20 C -4.06800 -2.38300 -0.68400 1.000 C21 C -3.23000 -1.38200 -1.02900 1.000 C22 C 0.49400 -0.45800 1.73400 1.000 O23 O -1.94500 1.07500 0.32000 1.000 O24 O -0.65400 -0.17900 2.40500 1.000 N25 N -3.73700 -0.22100 -1.54600 1.000 C26 C 0.84300 -1.76800 1.49700 1.000 N27 N -5.92100 -1.04900 -1.37800 1.000 C28 C 2.02900 -2.06100 0.80200 1.000 C29 C 2.40800 -3.38800 0.54700 1.000 O30 O 2.20400 1.49200 -1.76800 1.000 C31 C 2.85500 -1.00100 0.35100 1.000 C32 C 2.47400 0.33300 0.60800 1.000 C33 C 1.30600 0.58900 1.29200 1.000 O34 O -6.23600 -3.09700 -0.56200 1.000 O35 O -5.49300 0.97400 -2.17000 1.000 Cl36 Cl 3.44000 3.55900 -3.17800 1.000 H37 H 3.83600 3.91000 -0.84000 1.000 H38 H 4.98800 2.74600 -1.53800 1.000 H39 H 5.26000 1.37100 0.85300 1.000 H40 H 4.48300 2.97300 0.83100 1.000 H41 H 4.04300 1.78600 2.08300 1.000 H42 H -0.77400 -3.13100 1.20900 1.000 H43 H 0.56300 -3.76400 2.19900 1.000 H44 H -0.56500 -2.57000 2.88500 1.000 H45 H 4.66700 -0.48500 -0.70200 1.000 H46 H 5.30100 -2.79300 -1.12900 1.000 H47 H -2.55800 3.58000 0.76900 1.000 H48 H -2.01300 2.64500 -1.02100 1.000 H49 H -3.58300 2.13800 -0.35400 1.000 H50 H -2.08000 4.81200 2.84600 1.000 H51 H -0.92700 3.69200 4.70800 1.000 H52 H -0.25200 1.33300 4.50400 1.000 H53 H -3.26000 1.43300 -2.74400 1.000 H54 H -1.87000 0.44700 -2.22900 1.000 H55 H -3.68000 -3.30500 -0.27500 1.000 H56 H -2.16400 -1.49700 -0.89800 1.000 H57 H -6.87400 -0.92200 -1.50500 1.000 H58 H 1.78700 -4.20600 0.88400 1.000 H59 H 1.01500 1.61000 1.48800 1.000