# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CKN' 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 -4.24100 1.38700 0.39300 1.000 C1 C -4.79200 0.01700 0.09500 1.000 C2 C -4.07600 -1.16300 0.03100 1.000 N3 N -3.74700 4.56100 -1.53900 1.000 C4 C 0.35700 0.16600 1.46100 1.000 C5 C 1.84700 -0.17500 1.51600 1.000 C6 C 2.44000 -0.09800 0.10700 1.000 C7 C 1.72200 -1.09700 -0.80300 1.000 C8 C 0.23100 -0.75700 -0.85800 1.000 C9 C 4.57700 0.45000 1.10400 1.000 C10 C 6.02100 -0.03600 1.26600 1.000 C11 C 5.91500 -0.88200 -1.11000 1.000 C12 C 4.47500 -0.36200 -1.17800 1.000 C13 C 7.82100 0.44800 -0.32800 1.000 C14 C -6.12500 -0.30600 -0.16400 1.000 C15 C -4.39600 2.27900 -0.84100 1.000 C16 C -3.73600 3.60900 -0.58600 1.000 O17 O -3.19400 3.82300 0.47800 1.000 C18 C -5.00800 2.00100 1.56600 1.000 C19 C -6.19700 -1.64500 -0.38100 1.000 N20 N -4.96600 -2.17700 -0.26700 1.000 N21 N -4.47000 -3.48300 -0.38600 1.000 C22 C -3.19800 -3.71700 -0.21600 1.000 N23 N -2.32800 -2.74900 0.07100 1.000 C24 C -2.71100 -1.49000 0.20100 1.000 N25 N -1.78900 -0.50700 0.49900 1.000 C26 C -0.36100 -0.83300 0.55100 1.000 N27 N 3.87100 -0.42600 0.15900 1.000 N28 N 6.63300 -0.13300 -0.06800 1.000 C29 C 8.54000 1.21100 0.75500 1.000 O30 O 8.31200 0.35700 -1.43300 1.000 H31 H -3.18500 1.30600 0.65200 1.000 H32 H -3.32200 5.41800 -1.37500 1.000 H33 H -4.18000 4.39000 -2.39000 1.000 H34 H -0.06500 0.11200 2.46500 1.000 H35 H 0.22900 1.17400 1.06700 1.000 H36 H 2.35900 0.53700 2.16400 1.000 H37 H 1.97600 -1.18300 1.91000 1.000 H38 H 2.31200 0.91000 -0.28700 1.000 H39 H 2.14400 -1.04300 -1.80600 1.000 H40 H 1.85000 -2.10500 -0.40900 1.000 H41 H 0.10300 0.25200 -1.25200 1.000 H42 H -0.28100 -1.46800 -1.50600 1.000 H43 H 4.07400 0.42300 2.07100 1.000 H44 H 4.57700 1.47100 0.72300 1.000 H45 H 6.58100 0.67400 1.87500 1.000 H46 H 6.02700 -1.01400 1.74700 1.000 H47 H 5.91000 -1.94400 -0.86100 1.000 H48 H 6.40500 -0.73200 -2.07200 1.000 H49 H 4.47700 0.67000 -1.52800 1.000 H50 H 3.89800 -0.97900 -1.86700 1.000 H51 H -6.95300 0.38700 -0.18700 1.000 H52 H -3.92500 1.79800 -1.69800 1.000 H53 H -5.45600 2.43200 -1.04700 1.000 H54 H -6.06300 2.08300 1.30700 1.000 H55 H -4.89700 1.36600 2.44500 1.000 H56 H -4.60900 2.99300 1.78100 1.000 H57 H -7.09800 -2.19600 -0.60700 1.000 H58 H -2.83700 -4.73000 -0.31200 1.000 H59 H -2.08600 0.40000 0.67400 1.000 H60 H -0.23300 -1.84100 0.94500 1.000 H61 H 8.75100 0.54400 1.59100 1.000 H62 H 9.47600 1.60600 0.36100 1.000 H63 H 7.91300 2.03400 1.09700 1.000