# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '932' 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 -3.45900 0.48500 0.46000 1.000 N1 N -2.63500 0.81900 -0.61800 1.000 C2 C -3.07000 0.66700 -1.88200 1.000 C3 C -4.45700 0.15200 -2.16200 1.000 C4 C -4.84900 -0.88600 -1.11100 1.000 C5 C -4.55400 -0.34600 0.26500 1.000 C6 C -3.19000 0.98800 1.72700 1.000 C7 C -4.01200 0.65900 2.78700 1.000 C8 C -5.10200 -0.17000 2.58800 1.000 C9 C -5.37200 -0.67200 1.32900 1.000 C10 C -1.28800 1.33900 -0.37100 1.000 C11 C -0.31200 0.19300 -0.30300 1.000 O12 O -0.70300 -0.94600 -0.44700 1.000 N13 N 0.99600 0.43400 -0.08200 1.000 C14 C 1.89700 -0.62400 -0.01900 1.000 S15 S 1.46300 -2.32600 -0.07800 1.000 C16 C 3.14200 -2.81900 0.05800 1.000 C17 C 3.94100 -1.76300 0.14000 1.000 C18 C 3.25300 -0.49600 0.09200 1.000 C19 C 3.94300 0.80600 0.16500 1.000 N20 N 5.28300 1.00300 0.14000 1.000 N21 N 5.47800 2.39000 0.23400 1.000 C22 C 4.29500 2.94000 0.30900 1.000 N23 N 3.36500 1.98800 0.26200 1.000 C24 C 5.43800 -1.87700 0.26500 1.000 O25 O -2.33700 0.94700 -2.80700 1.000 H26 H -5.16300 0.98200 -2.13300 1.000 H27 H -4.48000 -0.30700 -3.15100 1.000 H28 H -5.91300 -1.10400 -1.19500 1.000 H29 H -4.27800 -1.80000 -1.27300 1.000 H30 H -2.33900 1.63500 1.88300 1.000 H31 H -3.80300 1.04900 3.77200 1.000 H32 H -5.74200 -0.42600 3.41900 1.000 H33 H -6.22300 -1.31900 1.17700 1.000 H34 H -1.00300 2.01100 -1.18100 1.000 H35 H -1.27600 1.88300 0.57400 1.000 H36 H 1.30900 1.34500 0.03300 1.000 H37 H 3.48000 -3.84500 0.07400 1.000 H38 H 4.10200 3.99900 0.39200 1.000 H39 H 5.89400 -1.77600 -0.72000 1.000 H40 H 5.80900 -1.08800 0.92000 1.000 H41 H 5.69400 -2.84900 0.68700 1.000 H42 H 5.97000 0.32100 0.07000 1.000