# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JDS' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl 2.25900 -4.44600 -0.86900 1.000 C1 C 4.70500 1.50700 0.79000 1.000 N2 N 5.07800 0.27900 1.11000 1.000 O3 O -3.88400 -2.14700 0.80900 1.000 C4 C 5.51200 2.64100 1.37200 1.000 N5 N 1.80900 0.83800 -1.36800 1.000 O6 O -7.87700 0.75700 1.21700 1.000 C7 C 5.26300 3.93200 0.59500 1.000 N8 N -4.63900 -0.07900 -0.12900 1.000 C9 C 3.74900 4.15700 0.50400 1.000 N10 N -5.07400 -2.23900 1.57000 1.000 C11 C 3.16300 3.10600 -0.43600 1.000 C12 C 3.61900 1.72700 -0.03800 1.000 C13 C 4.44200 -0.80400 0.66300 1.000 C14 C 3.31900 -0.65900 -0.18600 1.000 C15 C 2.90400 0.64300 -0.54000 1.000 C16 C 4.86500 -2.09700 1.02000 1.000 C17 C 4.19400 -3.18200 0.54800 1.000 C18 C 3.08800 -3.03600 -0.28800 1.000 C19 C 2.64900 -1.79800 -0.65400 1.000 C20 C 0.55500 0.79600 -0.60300 1.000 C21 C -0.63200 0.90800 -1.56200 1.000 C22 C -1.93700 0.86300 -0.76500 1.000 C23 C -3.12400 0.97500 -1.72400 1.000 C24 C -4.41000 0.93200 -0.93900 1.000 C25 C -5.33100 1.95600 -1.08300 1.000 C26 C -6.51300 1.91600 -0.36100 1.000 C27 C -6.73400 0.83800 0.48900 1.000 C28 C -5.75800 -0.16100 0.58400 1.000 C29 C -5.97200 -1.31300 1.48000 1.000 H30 H -3.27300 -2.88500 0.94200 1.000 H31 H 5.22700 2.78700 2.41400 1.000 H32 H 6.57200 2.39100 1.32200 1.000 H33 H 1.79800 0.16300 -2.11800 1.000 H34 H -8.59700 0.29200 0.76800 1.000 H35 H 5.72800 4.76900 1.11600 1.000 H36 H 5.68300 3.84400 -0.40700 1.000 H37 H 3.30200 4.05600 1.49300 1.000 H38 H 3.55000 5.15400 0.11100 1.000 H39 H 2.07500 3.15200 -0.39100 1.000 H40 H 3.48900 3.31200 -1.45600 1.000 H41 H 5.72100 -2.22800 1.66600 1.000 H42 H 4.52300 -4.17300 0.82400 1.000 H43 H 1.79100 -1.69500 -1.30100 1.000 H44 H 0.49500 -0.14600 -0.05800 1.000 H45 H 0.53200 1.62600 0.10200 1.000 H46 H -0.57100 1.84900 -2.10800 1.000 H47 H -0.60800 0.07700 -2.26800 1.000 H48 H -1.99800 -0.07800 -0.22000 1.000 H49 H -1.96000 1.69400 -0.06000 1.000 H50 H -3.06300 1.91700 -2.27000 1.000 H51 H -3.10100 0.14500 -2.43000 1.000 H52 H -5.12900 2.78000 -1.75200 1.000 H53 H -7.24500 2.70400 -0.45700 1.000 H54 H -6.88000 -1.38300 2.06100 1.000