# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CJJ' 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 0.76100 1.75600 -0.03300 1.000 C1 C -0.70600 1.91100 -0.01600 1.000 C2 C -2.54000 3.31100 0.00000 1.000 C3 C -2.79600 0.93400 0.00600 1.000 N4 N -3.59300 -0.20100 0.01900 1.000 C5 C -3.00400 -1.47100 0.01100 1.000 C6 C -1.46700 -3.08500 -0.01200 1.000 C7 C -0.06600 -5.13600 0.74300 1.000 C8 C -0.10300 -5.15400 -0.78600 1.000 C9 C 1.65200 2.77000 -0.04700 1.000 C10 C 2.97200 2.37700 -0.06000 1.000 C11 C 3.17000 1.05400 -0.05800 1.000 S12 S 1.62100 0.22100 -0.03000 1.000 N13 N -1.22900 3.13200 -0.01400 1.000 C14 C -3.37400 2.20700 0.01400 1.000 N15 N -1.47200 0.82600 -0.00900 1.000 C16 C -1.62600 -1.74200 -0.01100 1.000 N17 N -2.69300 -3.64700 0.01100 1.000 N18 N -3.64300 -2.61800 0.02700 1.000 C19 C -0.15300 -3.82200 -0.03600 1.000 Cl20 Cl -5.09900 2.39800 0.04000 1.000 S21 S 4.74500 0.26400 -0.07400 1.000 O22 O 4.53700 -1.03500 -0.61200 1.000 O23 O 5.65700 1.19900 -0.63200 1.000 N24 N 5.20100 0.04900 1.50300 1.000 H25 H -2.95500 4.30800 0.00200 1.000 H26 H -4.56000 -0.11400 0.03400 1.000 H27 H -0.95900 -5.46700 1.27300 1.000 H28 H 0.88200 -5.37300 1.22700 1.000 H29 H 0.82000 -5.40300 -1.30900 1.000 H30 H -1.02100 -5.49700 -1.26300 1.000 H31 H 1.35300 3.80800 -0.04700 1.000 H32 H 3.78800 3.08500 -0.07300 1.000 H33 H -0.83400 -1.00700 -0.02400 1.000 H34 H -2.88400 -4.59800 0.01500 1.000 H35 H 0.73800 -3.19400 -0.06500 1.000 H36 H 6.04900 -0.37400 1.70900 1.000 H37 H 4.62100 0.34700 2.22100 1.000