# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9DN' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy N0 N 1.96100 0.10900 0.69900 1.000 C1 C 2.38200 -0.86300 -0.31400 1.000 C2 C 1.30100 -1.89700 -0.49800 1.000 O3 O 0.28400 -1.82900 0.15000 1.000 C4 C 3.67100 -1.54800 0.14200 1.000 C5 C 4.78400 -0.53400 0.20800 1.000 O6 O 4.56700 0.62400 -0.08100 1.000 N7 N 6.02000 -0.91300 0.58900 1.000 O8 O 1.46900 -2.89200 -1.38200 1.000 S9 S 1.28700 1.54900 0.23500 1.000 O10 O 2.12400 2.07200 -0.78700 1.000 O11 O 0.98800 2.25500 1.43100 1.000 N12 N -4.81000 -0.52200 -0.24000 1.000 C13 C -0.25800 1.18100 -0.52600 1.000 C14 C -0.44700 1.43800 -1.84900 1.000 C15 C -1.66300 1.15300 -2.46800 1.000 C16 C -2.69600 0.61000 -1.76700 1.000 C17 C -2.53800 0.33200 -0.40000 1.000 C18 C -1.30000 0.61500 0.22800 1.000 C19 C -1.13800 0.33100 1.59500 1.000 C20 C -2.16400 -0.21800 2.30200 1.000 C21 C -3.38200 -0.50600 1.69400 1.000 C22 C -3.58600 -0.23100 0.35900 1.000 C23 C -5.12000 -1.95400 -0.13500 1.000 C24 C -5.88700 0.29300 0.33800 1.000 H25 H 2.07700 -0.09200 1.64100 1.000 H26 H 0.74800 -3.53200 -1.46600 1.000 H27 H -5.16800 -2.24000 0.91600 1.000 H28 H -6.08000 -2.15400 -0.61000 1.000 H29 H -4.34100 -2.53200 -0.63200 1.000 H30 H -5.66500 1.34900 0.18500 1.000 H31 H -6.83100 0.04500 -0.14700 1.000 H32 H -5.96300 0.08900 1.40700 1.000 H33 H 0.35600 1.86800 -2.42800 1.000 H34 H -1.78700 1.36600 -3.52000 1.000 H35 H -3.63300 0.39600 -2.25900 1.000 H36 H -0.20000 0.54700 2.08500 1.000 H37 H -2.03000 -0.43300 3.35200 1.000 H38 H -4.18000 -0.94100 2.27800 1.000 H39 H 2.55800 -0.34900 -1.25900 1.000 H40 H 3.52100 -1.98700 1.12900 1.000 H41 H 3.93700 -2.33200 -0.56700 1.000 H42 H 6.19400 -1.83900 0.82000 1.000 H43 H 6.73600 -0.26000 0.63100 1.000