# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '94D' 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 -0.15000 1.11200 -0.20900 1.000 C1 C 2.03100 0.87200 -0.12100 1.000 C2 C 1.79800 2.14800 -0.48000 1.000 C3 C -1.59500 0.81000 -0.13700 1.000 C4 C -3.73100 1.32300 0.30400 1.000 C5 C -2.09900 -0.38900 -0.48600 1.000 C6 C 0.39900 2.31200 -0.53700 1.000 C7 C 0.03700 -3.55900 -0.29500 1.000 C8 C -0.87200 -2.43200 0.19900 1.000 C9 C -1.30600 -1.56900 -0.98700 1.000 C10 C -2.10800 -3.03200 0.87300 1.000 N11 N -2.49100 1.70300 0.28300 1.000 N12 N -4.80000 2.10600 0.70700 1.000 O13 O 4.51600 0.99000 1.16100 1.000 O14 O 3.49300 -1.38100 0.66700 1.000 O15 O 4.37800 0.08200 -1.19000 1.000 O16 O 0.85200 0.24800 0.04400 1.000 P17 P 3.66600 0.11900 0.10700 1.000 S18 S -3.84500 -0.34200 -0.25700 1.000 H19 H 2.54200 2.90400 -0.68500 1.000 H20 H -0.13400 3.21600 -0.79200 1.000 H21 H 0.91700 -3.13200 -0.77500 1.000 H22 H 0.34600 -4.17400 0.55000 1.000 H23 H -0.50600 -4.17400 -1.01300 1.000 H24 H -0.33000 -1.81700 0.91800 1.000 H25 H -1.92300 -2.16200 -1.66100 1.000 H26 H -0.42400 -1.21300 -1.52000 1.000 H27 H -2.75500 -2.22900 1.22500 1.000 H28 H -2.65000 -3.64700 0.15500 1.000 H29 H -1.79900 -3.64700 1.71800 1.000 H30 H -4.65000 3.01600 1.00500 1.000 H31 H -5.70000 1.74300 0.69200 1.000 H32 H 4.10800 1.05700 2.03500 1.000 H33 H 4.32900 -1.84500 0.81200 1.000