# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JBW' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O 4.61600 -1.12800 -1.17500 1.000 C1 C 3.84300 -0.46100 -0.51100 1.000 N2 N 4.30800 0.54200 0.25900 1.000 C3 C 5.74400 0.83100 0.29700 1.000 C4 C 6.16900 2.25300 0.67000 1.000 C5 C 6.37300 1.10700 1.66400 1.000 C6 C 2.41000 -0.74600 -0.55300 1.000 C7 C 1.81800 -1.73000 -1.29800 1.000 C8 C 0.45600 -1.78000 -1.15100 1.000 S9 S 1.17200 0.11700 0.35000 1.000 C10 C -0.06000 -0.86100 -0.31000 1.000 N11 N -1.41400 -0.73200 -0.01500 1.000 C12 C -2.19200 -1.64600 0.63000 1.000 C13 C -1.71300 -2.97800 1.14600 1.000 C14 C -2.22100 0.35100 -0.31800 1.000 C15 C -2.00500 1.56600 -0.95200 1.000 C16 C -3.04400 2.46300 -1.10500 1.000 C17 C -4.30800 2.16500 -0.63100 1.000 C18 C -4.55200 0.95200 0.00900 1.000 C19 C -3.49800 0.02900 0.17100 1.000 N20 N -3.41100 -1.19800 0.73500 1.000 C21 C -5.86200 0.64500 0.50000 1.000 N22 N -6.90100 0.40100 0.88800 1.000 H23 H 3.69300 1.07300 0.78900 1.000 H24 H 6.35000 0.30200 -0.43800 1.000 H25 H 7.05400 2.65800 0.18100 1.000 H26 H 5.38000 2.97300 0.88800 1.000 H27 H 5.71900 1.07400 2.53500 1.000 H28 H 7.39300 0.76000 1.82900 1.000 H29 H 2.37100 -2.40300 -1.93700 1.000 H30 H -0.15800 -2.50000 -1.67100 1.000 H31 H -1.36000 -2.86500 2.17100 1.000 H32 H -2.53400 -3.69400 1.12100 1.000 H33 H -0.89700 -3.33900 0.51900 1.000 H34 H -1.02200 1.81100 -1.32600 1.000 H35 H -2.86700 3.40700 -1.59900 1.000 H36 H -5.11100 2.87700 -0.75700 1.000