# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JS2' 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 -7.82500 -1.91100 2.24800 1.000 C1 C -7.15300 -1.11200 0.19400 1.000 C2 C -9.46000 -0.91400 0.88700 1.000 O3 O 7.99800 -2.31200 1.64800 1.000 C4 C 7.92600 -1.12800 0.85200 1.000 C5 C 8.87900 -1.23200 -0.36400 1.000 O6 O 9.89100 -2.21500 -0.13500 1.000 C7 C 7.91700 -1.68000 -1.49300 1.000 O8 O 7.69400 -3.09100 -1.43400 1.000 O9 O 6.69900 -0.96000 -1.20400 1.000 C10 C 6.52600 -0.98500 0.22300 1.000 C11 C 5.87600 0.31900 0.69100 1.000 O12 O 4.53700 0.38700 0.19700 1.000 P13 P 3.55400 1.62700 0.49700 1.000 O14 O 4.14000 2.95600 -0.19700 1.000 O15 O 3.45600 1.83600 1.95900 1.000 O16 O 2.09300 1.30900 -0.09900 1.000 P17 P 0.63300 1.95500 0.11400 1.000 O18 O 0.50300 3.29200 -0.77200 1.000 O19 O 0.44700 2.29000 1.54400 1.000 O20 O -0.49300 0.89700 -0.34000 1.000 C21 C -1.89300 1.13200 -0.17600 1.000 C22 C -2.67800 -0.06700 -0.71000 1.000 C23 C -4.17600 0.18400 -0.53400 1.000 C24 C -4.96100 -1.01500 -1.06800 1.000 N25 N -6.39700 -0.77400 -0.90000 1.000 N26 N -6.88800 -1.71000 1.36400 1.000 N27 N -9.11000 -1.52900 2.03800 1.000 O28 O -10.61200 -0.56600 0.68800 1.000 C29 C -8.45600 -0.69300 -0.08700 1.000 N30 N -8.44300 -0.12600 -1.31900 1.000 C31 C -7.22700 -0.17200 -1.80300 1.000 N32 N -6.84300 0.31300 -3.03800 1.000 H33 H -7.57000 -2.40100 3.17700 1.000 H34 H 8.85800 -2.45200 2.06800 1.000 H35 H 8.16500 -0.25000 1.45300 1.000 H36 H 9.32400 -0.26400 -0.59300 1.000 H37 H 10.51300 -2.31700 -0.86800 1.000 H38 H 8.31000 -1.39300 -2.46900 1.000 H39 H 7.04600 -3.41400 -2.07600 1.000 H40 H 5.90400 -1.83400 0.50600 1.000 H41 H 5.86400 0.34800 1.78000 1.000 H42 H 6.44700 1.16600 0.31000 1.000 H43 H 4.23200 2.89100 -1.15800 1.000 H44 H 0.61400 3.14700 -1.72200 1.000 H45 H -2.11600 1.27000 0.88200 1.000 H46 H -2.17800 2.02800 -0.72700 1.000 H47 H -2.45400 -0.20500 -1.76800 1.000 H48 H -2.39200 -0.96300 -0.15900 1.000 H49 H -4.40000 0.32200 0.52400 1.000 H50 H -4.46200 1.08000 -1.08500 1.000 H51 H -4.73800 -1.15300 -2.12600 1.000 H52 H -4.67600 -1.91100 -0.51700 1.000 H53 H -5.91800 0.23900 -3.32200 1.000 H54 H -7.49700 0.72800 -3.62200 1.000 H55 H -9.78100 -1.69800 2.71800 1.000