# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDY' 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 8.53500 1.23100 0.39300 1.000 C1 C 7.33800 -0.05600 1.87200 1.000 C2 C 7.57700 -0.94100 0.58000 1.000 C3 C 8.77200 -0.21600 -0.11100 1.000 C4 C 6.39300 -0.77900 -0.39000 1.000 C5 C 6.93900 -0.03100 -1.63900 1.000 C6 C 8.46600 -0.31900 -1.61400 1.000 C7 C 6.82500 1.46300 -1.35900 1.000 C8 C 4.07900 -0.24800 -0.14100 1.000 C9 C 1.68200 0.16800 -0.00800 1.000 C10 C -0.59000 1.16000 -0.31800 1.000 C11 C -3.89400 1.82800 0.77200 1.000 C12 C 0.81800 1.40900 0.22500 1.000 C13 C 1.13100 -0.99900 0.81500 1.000 C14 C -4.04000 0.47900 1.01000 1.000 C15 C -5.25200 -0.15300 0.74200 1.000 C16 C -6.33000 0.57400 0.22900 1.000 C17 C -6.15700 1.95400 -0.00700 1.000 C18 C -4.95800 2.56200 0.26900 1.000 C19 C -7.35000 -1.44000 0.31400 1.000 C20 C -9.67100 -1.90500 -0.37100 1.000 C21 C 1.90500 -2.25100 0.49300 1.000 C22 C 3.03500 -2.57200 1.22200 1.000 C23 C 3.74700 -3.72000 0.92700 1.000 C24 C 3.32900 -4.54800 -0.09800 1.000 C25 C 2.19700 -4.22800 -0.82800 1.000 C26 C 1.48200 -3.08100 -0.52800 1.000 C27 C -10.90600 -2.72600 0.00400 1.000 C28 C -10.34600 -2.79300 -1.41800 1.000 C29 C -1.31000 3.40600 -1.25300 1.000 C30 C -1.86300 2.83200 -2.55900 1.000 C31 C -3.35500 2.53700 -2.39500 1.000 C32 C -1.66500 3.84800 -3.68600 1.000 F33 F 1.78800 -5.03700 -1.83000 1.000 N34 N 3.06000 0.44700 0.40200 1.000 N35 N -1.38200 2.38700 -0.20300 1.000 N36 N -7.42400 -0.18600 0.02200 1.000 N37 N -8.37900 -2.34600 0.15900 1.000 O38 O 8.32000 1.00100 1.82400 1.000 O39 O 7.26400 1.72900 -0.03800 1.000 O40 O 5.34600 0.00900 0.23700 1.000 O41 O 3.85500 -1.10700 -0.97000 1.000 O42 O -2.63100 4.01600 1.16700 1.000 O43 O -1.76500 1.90400 2.18700 1.000 O44 O 0.74700 1.68400 1.62500 1.000 S45 S -2.35900 2.62200 1.11300 1.000 S46 S -5.75200 -1.83100 0.93200 1.000 H47 H 9.36100 1.90800 0.17300 1.000 H48 H 6.33300 0.36400 1.85400 1.000 H49 H 7.47400 -0.66100 2.76800 1.000 H50 H 7.79400 -1.98200 0.81900 1.000 H51 H 9.74700 -0.61600 0.16900 1.000 H52 H 6.00600 -1.75800 -0.67100 1.000 H53 H 6.44900 -0.33200 -2.56500 1.000 H54 H 9.01500 0.43500 -2.17800 1.000 H55 H 8.68100 -1.31900 -1.98900 1.000 H56 H 7.46100 2.01600 -2.05000 1.000 H57 H 5.78900 1.78100 -1.47800 1.000 H58 H 1.66400 -0.09400 -1.06600 1.000 H59 H -0.52900 0.86300 -1.36500 1.000 H60 H -1.06600 0.36500 0.25700 1.000 H61 H 1.26100 2.26100 -0.29000 1.000 H62 H 1.23100 -0.77300 1.87700 1.000 H63 H 0.07900 -1.14900 0.57300 1.000 H64 H -3.21300 -0.09000 1.40700 1.000 H65 H -6.97500 2.53700 -0.40300 1.000 H66 H -4.83900 3.61900 0.08400 1.000 H67 H -9.79500 -0.82600 -0.47000 1.000 H68 H 3.36300 -1.92500 2.02200 1.000 H69 H 4.62900 -3.96900 1.49700 1.000 H70 H 3.88500 -5.44500 -0.32900 1.000 H71 H 0.59700 -2.83200 -1.09400 1.000 H72 H -10.75800 -3.59400 0.64500 1.000 H73 H -11.84300 -2.18700 0.15100 1.000 H74 H -10.91400 -2.29900 -2.20700 1.000 H75 H -9.82900 -3.70600 -1.71300 1.000 H76 H -0.27200 3.70500 -1.39800 1.000 H77 H -1.90000 4.27400 -0.95900 1.000 H78 H -1.33500 1.91100 -2.80400 1.000 H79 H -3.49000 1.74300 -1.66100 1.000 H80 H -3.86800 3.43700 -2.05600 1.000 H81 H -3.77000 2.22100 -3.35200 1.000 H82 H -0.60200 4.05900 -3.80300 1.000 H83 H -2.05900 3.44000 -4.61700 1.000 H84 H -2.19300 4.77000 -3.44200 1.000 H85 H 3.23900 1.13300 1.06400 1.000 H86 H -8.24600 -3.27600 0.40100 1.000 H87 H 0.36300 0.96600 2.14800 1.000