# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JRM' 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 0.75200 -0.11800 -0.27100 1.000 C1 C -0.29200 -3.95800 0.08700 1.000 C2 C -2.87100 0.08100 -0.97200 1.000 C3 C 5.40400 1.12700 0.39500 1.000 C4 C 3.47800 -0.86800 0.34300 1.000 C5 C -3.57300 0.48200 0.29900 1.000 N6 N -1.57100 -0.51200 -0.64600 1.000 C7 C -1.46900 -1.83900 -0.43600 1.000 C8 C -0.13200 -2.44800 -0.10100 1.000 O9 O -2.45300 -2.54300 -0.51800 1.000 C10 C -0.44400 0.29500 -0.55200 1.000 S11 S -0.41700 2.03900 -0.79700 1.000 C12 C 1.31600 2.05800 -0.47700 1.000 C13 C 1.71000 0.79700 -0.22400 1.000 C14 C 3.11900 0.45500 0.08700 1.000 C15 C 4.79100 -1.18100 0.63200 1.000 C16 C 5.75300 -0.18700 0.65300 1.000 C17 C 4.09200 1.45300 0.11500 1.000 H18 H 0.67500 -4.39900 0.32900 1.000 H19 H -0.99400 -4.15200 0.89800 1.000 H20 H -3.47800 -0.64900 -1.50800 1.000 H21 H -2.72200 0.96000 -1.59900 1.000 H22 H 6.15800 1.89900 0.41700 1.000 H23 H 2.73000 -1.64600 0.31500 1.000 H24 H 0.24800 -2.00600 0.82100 1.000 H25 H 0.56900 -2.25500 -0.91200 1.000 H26 H 1.95200 2.93100 -0.48500 1.000 H27 H 5.07000 -2.20500 0.83100 1.000 H28 H 6.78000 -0.43700 0.87100 1.000 H29 H 3.82000 2.47900 -0.08200 1.000 O30 O -3.04200 0.29300 1.36800 1.000 O31 O -4.78800 1.05000 0.24400 1.000 C32 C -5.40500 1.41100 1.50800 1.000 H33 H -0.67200 -4.40000 -0.83500 1.000 H34 H -6.38100 1.85900 1.32100 1.000 H35 H -5.52600 0.51800 2.12100 1.000 H36 H -4.77000 2.12700 2.03100 1.000