# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0KN' 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 4.17300 -4.15900 -2.27300 1.000 C1 C 3.00300 -4.91700 -1.62100 1.000 C2 C 3.26200 -4.07700 -0.35800 1.000 C3 C 3.87900 -3.02400 -1.28600 1.000 C4 C 2.86800 -2.00200 -1.80900 1.000 O5 O 5.04300 -2.39800 -0.75600 1.000 C6 C 4.85900 -1.33200 0.06600 1.000 N7 N 5.89000 -0.92000 0.79500 1.000 C8 C 5.80200 0.10800 1.61300 1.000 C9 C 4.61800 0.80600 1.74400 1.000 C10 C 4.52500 1.98400 2.68000 1.000 C11 C 4.97900 3.25000 1.95100 1.000 C12 C 4.01500 3.55200 0.80300 1.000 C13 C 4.99000 4.42600 2.93000 1.000 C14 C 6.38800 3.04000 1.39200 1.000 C15 C 3.51500 0.40800 1.00400 1.000 C16 C 3.63900 -0.68100 0.15400 1.000 C17 C 2.43400 -1.12000 -0.63500 1.000 N18 N 1.73000 0.06300 -1.14800 1.000 C19 C 0.48600 0.30100 -0.40300 1.000 C20 C -0.64400 -0.52300 -1.02300 1.000 O21 O -0.32000 -1.91200 -0.94400 1.000 C22 C -1.94400 -0.25800 -0.26100 1.000 N23 N -2.32900 1.14600 -0.42300 1.000 C24 C -2.56600 1.64200 -1.65300 1.000 O25 O -2.55700 0.90500 -2.61600 1.000 C26 C -2.84200 3.11300 -1.83200 1.000 C27 C -1.57600 3.91200 -1.51800 1.000 O28 O -3.24000 3.36200 -3.18200 1.000 C29 C -4.21100 4.40100 -3.32000 1.000 C30 C -3.05200 -1.15700 -0.81400 1.000 C31 C -4.29900 -0.98700 0.01500 1.000 C32 C -4.50800 -1.79100 1.11900 1.000 C33 C -5.65400 -1.63700 1.88300 1.000 O34 O -6.09300 -2.28900 2.99900 1.000 C35 C -7.10800 -1.43900 3.56600 1.000 O36 O -7.62000 -0.71400 2.43200 1.000 C37 C -6.59300 -0.66800 1.53500 1.000 C38 C -6.37600 0.13400 0.42700 1.000 C39 C -5.22800 -0.02200 -0.32700 1.000 H40 H 5.14200 -4.63300 -2.11700 1.000 H41 H 3.99500 -3.89000 -3.31400 1.000 H42 H 2.03900 -4.71800 -2.08800 1.000 H43 H 3.19600 -5.98200 -1.48400 1.000 H44 H 2.35100 -3.74200 0.13800 1.000 H45 H 3.97800 -4.52800 0.32800 1.000 H46 H 3.33200 -1.38700 -2.58000 1.000 H47 H 2.00100 -2.51900 -2.22100 1.000 H48 H 6.66500 0.40900 2.18800 1.000 H49 H 3.49400 2.10500 3.01000 1.000 H50 H 5.16700 1.81300 3.54400 1.000 H51 H 3.02900 3.78000 1.20700 1.000 H52 H 4.38100 4.40700 0.23500 1.000 H53 H 3.94600 2.68300 0.14800 1.000 H54 H 5.60900 4.17600 3.79200 1.000 H55 H 5.39600 5.30800 2.43500 1.000 H56 H 3.97300 4.63200 3.26200 1.000 H57 H 6.38000 2.20200 0.69400 1.000 H58 H 6.71200 3.94200 0.87300 1.000 H59 H 7.07500 2.82500 2.21000 1.000 H60 H 2.57600 0.93600 1.08700 1.000 H61 H 1.76300 -1.68400 0.01300 1.000 H62 H 1.54800 -0.02500 -2.13600 1.000 H63 H 0.62400 0.00400 0.63700 1.000 H64 H 0.23200 1.35900 -0.44800 1.000 H65 H -0.77100 -0.23800 -2.06700 1.000 H66 H -0.19300 -2.23600 -0.04200 1.000 H67 H -1.79600 -0.47500 0.79700 1.000 H68 H -2.41200 1.71900 0.35600 1.000 H69 H -3.64100 3.41700 -1.15600 1.000 H70 H -0.80400 3.67200 -2.24900 1.000 H71 H -1.79900 4.97800 -1.56200 1.000 H72 H -1.22300 3.65500 -0.51900 1.000 H73 H -4.39500 4.58900 -4.37800 1.000 H74 H -5.14100 4.09600 -2.83800 1.000 H75 H -3.83900 5.31100 -2.84800 1.000 H76 H -3.26200 -0.88000 -1.84700 1.000 H77 H -2.72900 -2.19700 -0.77500 1.000 H78 H -3.77900 -2.54100 1.38700 1.000 H79 H -7.89500 -2.03700 4.02500 1.000 H80 H -6.67100 -0.75400 4.29300 1.000 H81 H -7.10300 0.88600 0.15400 1.000 H82 H -5.05800 0.60800 -1.18800 1.000