# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '3BT' 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 0.05400 -0.16700 3.27900 1.000 C1 C 0.30400 -1.21400 2.19300 1.000 N2 N -1.64800 0.33500 6.93000 1.000 N3 N -0.49400 1.61500 5.37500 1.000 C4 C -1.00100 0.46500 5.72400 1.000 S5 S -0.85500 -0.92300 4.64900 1.000 C6 C 1.06900 0.57700 -1.04000 1.000 C7 C 0.37400 -0.00400 0.00300 1.000 C8 C 1.06200 -0.58400 1.05200 1.000 C9 C 2.44400 -0.59200 1.05300 1.000 C10 C 3.13900 -0.01400 0.00700 1.000 C11 C 2.45200 0.57000 -1.03900 1.000 C12 C 0.06100 0.17100 -3.26900 1.000 C13 C 0.32000 1.21500 -2.18100 1.000 N14 N -1.64200 -0.31200 -6.92200 1.000 N15 N -0.50400 -1.60400 -5.36600 1.000 C16 C -0.99700 -0.44800 -5.71500 1.000 S17 S -0.83800 0.93800 -4.63900 1.000 H18 H -0.52900 0.65400 2.86500 1.000 H19 H 1.00900 0.21300 3.64300 1.000 H20 H 0.88900 -2.03600 2.60700 1.000 H21 H -0.64900 -1.59500 1.82800 1.000 H22 H -1.72900 1.10000 7.52200 1.000 H23 H -2.02800 -0.51800 7.18800 1.000 H24 H -0.03800 1.70600 4.52400 1.000 H25 H -0.70500 0.00100 0.00200 1.000 H26 H 2.98100 -1.04900 1.87100 1.000 H27 H 4.21900 -0.01900 0.00800 1.000 H28 H 2.99500 1.02200 -1.85600 1.000 H29 H 1.01200 -0.21800 -3.63200 1.000 H30 H -0.53200 -0.64400 -2.85500 1.000 H31 H -0.63000 1.60600 -1.81800 1.000 H32 H 0.91400 2.03100 -2.59500 1.000 H33 H -1.72900 -1.07500 -7.51400 1.000 H34 H -2.00900 0.54700 -7.18200 1.000 H35 H -0.59100 -2.36700 -5.95800 1.000