# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JK1' 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 6.16600 0.84200 -0.02100 1.000 N1 N 7.86200 -0.59100 -0.06400 1.000 C2 C -8.57500 2.71500 -1.48200 1.000 O3 O -8.50100 -0.64600 -1.17400 1.000 C4 C 9.47700 2.70600 0.13900 1.000 C5 C 10.84400 1.24700 -1.18200 1.000 C6 C -0.60300 -3.72900 0.61400 1.000 C7 C 8.56200 1.68800 0.32300 1.000 C8 C -1.72200 -2.92500 0.54300 1.000 C9 C 0.66000 -3.17300 0.52500 1.000 C10 C -6.27200 -0.93600 -0.39800 1.000 C11 C 3.26600 -1.93300 0.23400 1.000 C12 C 6.54500 -0.31300 -0.00200 1.000 C13 C -2.77800 -0.68100 0.30500 1.000 C14 C 8.78700 0.44200 -0.24800 1.000 C15 C -5.14200 -0.42100 0.22400 1.000 C16 C -1.58100 -1.54500 0.38100 1.000 C17 C 0.81100 -1.80200 0.36400 1.000 C18 C -6.25800 1.68800 0.51000 1.000 C19 C -7.39500 -0.14100 -0.56500 1.000 C20 C -7.39000 1.17300 -0.11100 1.000 C21 C -5.05600 3.43600 1.58400 1.000 N22 N 2.39600 0.12300 0.21100 1.000 C23 C -8.43600 -2.00300 -1.61600 1.000 O24 O -2.65300 0.52000 0.16500 1.000 N25 N 5.64800 -1.31500 0.08200 1.000 O26 O -6.25200 2.97300 0.95500 1.000 C27 C 10.61700 2.48600 -0.61200 1.000 N28 N -4.00800 -1.22400 0.39200 1.000 N29 N 2.09300 -1.24300 0.27500 1.000 O30 O -8.49200 1.95400 -0.27500 1.000 C31 C 9.93300 0.22500 -1.00200 1.000 C32 C 3.69600 0.25400 0.13500 1.000 C33 C -0.30700 -0.98500 0.29200 1.000 C34 C -5.13600 0.89100 0.67700 1.000 C35 C 4.27200 -1.02500 0.14800 1.000 H36 H 8.16900 -1.50700 0.02300 1.000 H37 H -9.49900 3.29200 -1.48600 1.000 H38 H -7.72300 3.39300 -1.54300 1.000 H39 H -8.56400 2.04100 -2.33800 1.000 H40 H 9.30000 3.67600 0.57900 1.000 H41 H 11.73600 1.07800 -1.76800 1.000 H42 H -0.71400 -4.79500 0.74300 1.000 H43 H 7.67200 1.86100 0.91000 1.000 H44 H -2.70700 -3.36200 0.61200 1.000 H45 H 1.53200 -3.80800 0.58200 1.000 H46 H -6.27400 -1.95600 -0.75400 1.000 H47 H 3.37700 -3.00700 0.26900 1.000 H48 H -4.84500 2.82300 2.46000 1.000 H49 H -4.22500 3.36500 0.88200 1.000 H50 H -5.18500 4.47500 1.89000 1.000 H51 H -9.38100 -2.27900 -2.08300 1.000 H52 H -7.62800 -2.11200 -2.34000 1.000 H53 H -8.24800 -2.65500 -0.76200 1.000 H54 H 5.95000 -2.23700 0.09800 1.000 H55 H 11.33100 3.28300 -0.75400 1.000 H56 H -4.10800 -2.17200 0.57200 1.000 H57 H 10.11100 -0.74300 -1.44800 1.000 H58 H 4.23400 1.18900 0.07300 1.000 H59 H -0.19100 0.08200 0.16700 1.000 H60 H -4.25700 1.29100 1.16100 1.000