# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'J9K' 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 4.37300 -3.21300 1.33500 1.000 C1 C 4.84800 -2.89800 -0.08500 1.000 C2 C 6.18600 -2.15900 -0.02300 1.000 C3 C 5.02300 -4.20300 -0.86500 1.000 O4 O 3.86400 -2.06400 -0.75100 1.000 C5 C 3.59200 -0.87200 -0.18700 1.000 O6 O 4.16200 -0.53700 0.83300 1.000 N7 N 2.68800 -0.04900 -0.75500 1.000 C8 C 2.39300 1.24900 -0.14200 1.000 C9 C 0.98800 1.69600 -0.54900 1.000 S10 S -0.23600 0.54900 0.14200 1.000 C11 C -1.81200 1.23500 -0.43900 1.000 C12 C -2.96400 0.36600 0.06800 1.000 C13 C -4.27300 0.93600 -0.41500 1.000 O14 O -4.28400 1.93800 -1.09800 1.000 N15 N -5.43300 0.33100 -0.08900 1.000 C16 C -6.70500 0.88500 -0.55800 1.000 C17 C -7.84000 0.02900 -0.05800 1.000 C18 C -8.44100 0.30100 1.16100 1.000 C19 C -9.48200 -0.51300 1.58000 1.000 C20 C -9.88400 -1.56200 0.77400 1.000 N21 N -9.28900 -1.79100 -0.38000 1.000 C22 C -8.30000 -1.03500 -0.81300 1.000 C23 C 3.41500 2.28300 -0.61800 1.000 C24 C 4.78400 1.90600 -0.11300 1.000 C25 C 5.60100 1.08900 -0.87200 1.000 C26 C 6.85600 0.74300 -0.40800 1.000 C27 C 7.29500 1.21400 0.81500 1.000 C28 C 6.47800 2.03100 1.57400 1.000 C29 C 5.22500 2.38100 1.10800 1.000 H30 H 4.24900 -2.28400 1.89100 1.000 H31 H 3.42000 -3.74000 1.29100 1.000 H32 H 5.11200 -3.84000 1.83500 1.000 H33 H 6.92500 -2.78500 0.47700 1.000 H34 H 6.52500 -1.93400 -1.03400 1.000 H35 H 6.06200 -1.22900 0.53300 1.000 H36 H 4.06900 -4.73000 -0.90900 1.000 H37 H 5.36100 -3.97900 -1.87700 1.000 H38 H 5.76100 -4.82900 -0.36500 1.000 H39 H 2.23400 -0.31500 -1.56900 1.000 H40 H 2.44500 1.15900 0.94300 1.000 H41 H 0.80100 2.70000 -0.16700 1.000 H42 H 0.90800 1.70100 -1.63600 1.000 H43 H -1.92800 2.25000 -0.06000 1.000 H44 H -1.82100 1.25100 -1.52900 1.000 H45 H -2.84800 -0.64900 -0.31200 1.000 H46 H -2.95500 0.35000 1.15800 1.000 H47 H -5.42500 -0.47100 0.45700 1.000 H48 H -6.82200 1.90000 -0.17800 1.000 H49 H -6.71500 0.90100 -1.64800 1.000 H50 H -8.10600 1.12700 1.77000 1.000 H51 H -9.97300 -0.33100 2.52500 1.000 H52 H -10.69400 -2.20000 1.09400 1.000 H53 H -7.84000 -1.25100 -1.76600 1.000 H54 H 3.42500 2.30900 -1.70800 1.000 H55 H 3.14400 3.26600 -0.23400 1.000 H56 H 5.25800 0.72100 -1.82800 1.000 H57 H 7.49400 0.10400 -1.00100 1.000 H58 H 8.27500 0.94300 1.17800 1.000 H59 H 6.82100 2.39900 2.53000 1.000 H60 H 4.58800 3.02300 1.70000 1.000