# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '936' 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 4.56100 1.29600 0.08100 1.000 C1 C 4.52000 -0.17200 0.11000 1.000 C2 C 3.23800 -0.87900 -0.03600 1.000 C3 C 2.06800 -0.14900 -0.20100 1.000 C4 C 2.12300 1.32600 -0.22300 1.000 C5 C 3.43100 2.01300 -0.07900 1.000 N6 N 2.90100 -2.20300 -0.04900 1.000 C7 C 1.56100 -2.31800 -0.21600 1.000 C8 C 1.01700 -1.08000 -0.31300 1.000 O9 O 1.10500 1.97300 -0.36100 1.000 O10 O 5.54900 -0.80500 0.25400 1.000 C11 C 3.83900 -3.31900 0.09600 1.000 C12 C -0.44300 -0.75900 -0.50400 1.000 O13 O -1.07300 -0.62800 0.77100 1.000 C14 C -2.38000 -0.34000 0.53600 1.000 C15 C -3.25300 -0.15400 1.59800 1.000 C16 C -4.58100 0.13900 1.35600 1.000 C17 C -5.04100 0.24600 0.05700 1.000 C18 C -4.17300 0.06100 -1.00400 1.000 C19 C -2.84300 -0.22600 -0.76700 1.000 N20 N -6.46500 0.55900 -0.20000 1.000 O21 O -7.23000 0.72200 0.73400 1.000 O22 O -6.87100 0.65400 -1.34400 1.000 C23 C 0.79700 -3.61600 -0.28200 1.000 O24 O 3.48800 3.36500 -0.10200 1.000 C25 C 4.84100 3.72600 0.18300 1.000 H26 H 5.50600 1.80700 0.18900 1.000 H27 H 3.94200 -3.57200 1.15100 1.000 H28 H 3.46100 -4.18400 -0.45000 1.000 H29 H 4.81000 -3.03200 -0.30600 1.000 H30 H -0.54000 0.17600 -1.05600 1.000 H31 H -0.92100 -1.56300 -1.06500 1.000 H32 H -2.89400 -0.23900 2.61400 1.000 H33 H -5.26100 0.28300 2.18300 1.000 H34 H -4.53500 0.14600 -2.01800 1.000 H35 H -2.16500 -0.37000 -1.59600 1.000 H36 H 0.48400 -3.90500 0.72100 1.000 H37 H -0.08200 -3.48800 -0.91400 1.000 H38 H 1.43700 -4.39200 -0.70200 1.000 H39 H 4.93700 4.81200 0.17500 1.000 H40 H 5.12000 3.34400 1.16500 1.000 H41 H 5.49900 3.29800 -0.57400 1.000