# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9JK' 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 -2.22200 -0.51900 0.09500 1.000 C1 C -2.61400 0.71100 0.60700 1.000 C2 C -3.93600 1.10300 0.52200 1.000 C3 C -4.86800 0.27200 -0.07200 1.000 C4 C -4.48100 -0.95300 -0.58300 1.000 S5 S 2.16000 2.21300 -0.20800 1.000 C6 C 2.54100 0.49900 -0.06400 1.000 C7 C 3.86500 0.07400 -0.07000 1.000 C8 C 4.16000 -1.26900 0.04300 1.000 C9 C 3.14400 -2.20400 0.16400 1.000 C10 C 1.82600 -1.80300 0.17300 1.000 C11 C 1.50900 -0.44600 0.06400 1.000 C12 C 0.10200 -0.01000 0.07200 1.000 O13 O -0.16900 1.17200 -0.02300 1.000 N14 N -0.88500 -0.92100 0.18500 1.000 C15 C -3.16000 -1.35100 -0.50200 1.000 H16 H -1.88700 1.36000 1.07200 1.000 H17 H -4.24200 2.05900 0.92000 1.000 H18 H -5.90100 0.58100 -0.13700 1.000 H19 H -5.21100 -1.60000 -1.04600 1.000 H20 H 2.05000 2.38700 -1.53800 1.000 H21 H 4.66200 0.79600 -0.16400 1.000 H22 H 5.19000 -1.59400 0.03700 1.000 H23 H 3.38600 -3.25200 0.25200 1.000 H24 H 1.03800 -2.53600 0.26700 1.000 H25 H -0.66900 -1.85500 0.32800 1.000 H26 H -2.85800 -2.30700 -0.90100 1.000