# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '1SM' 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 -3.07600 -0.81500 -2.49100 1.000 C1 C -2.43900 -1.97000 -2.91000 1.000 C2 C -1.06300 -2.00800 -3.00300 1.000 C3 C -0.31300 -0.87700 -2.67500 1.000 C4 C -0.96200 0.28200 -2.24800 1.000 C5 C -2.33800 0.30800 -2.16500 1.000 S6 S -0.02500 1.71500 -1.83100 1.000 N7 N 0.93700 1.32000 -0.54300 1.000 C8 C 0.37900 0.93600 0.62100 1.000 N9 N 1.15600 0.71100 1.69900 1.000 C10 C 0.59600 0.21100 2.86700 1.000 N11 N -0.68200 -0.13200 2.87500 1.000 C12 C -1.24600 -0.61700 3.96900 1.000 C13 C -0.48300 -0.75200 5.11900 1.000 C14 C 0.85000 -0.37700 5.07700 1.000 N15 N 1.35200 0.09400 3.94800 1.000 O16 O 0.85900 1.92900 -2.92300 1.000 O17 O -0.96300 2.66000 -1.33600 1.000 O18 O -0.82500 0.79200 0.70000 1.000 C19 C 1.16000 -0.91000 -2.77200 1.000 O20 O 1.77600 -1.98700 -3.29900 1.000 C21 C 3.22600 -2.06700 -3.29500 1.000 O22 O 1.81600 0.03200 -2.37800 1.000 C23 C 1.71700 -0.50600 6.30300 1.000 C24 C -2.70000 -1.01100 3.96800 1.000 H25 H -4.15300 -0.79100 -2.41900 1.000 H26 H -3.02000 -2.84400 -3.16400 1.000 H27 H -0.56800 -2.91000 -3.33100 1.000 H28 H -2.84200 1.20700 -1.83900 1.000 H29 H 1.90200 1.36500 -0.62700 1.000 H30 H 2.10700 0.89800 1.65900 1.000 H31 H -0.91900 -1.14100 6.02700 1.000 H32 H 3.53600 -3.03900 -3.67800 1.000 H33 H 3.63500 -1.28000 -3.92800 1.000 H34 H 3.59400 -1.94300 -2.27700 1.000 H35 H 1.66700 0.41500 6.88200 1.000 H36 H 1.36300 -1.33800 6.91200 1.000 H37 H 2.74800 -0.69000 6.00100 1.000 H38 H -3.31500 -0.13300 4.16400 1.000 H39 H -2.96200 -1.42800 2.99500 1.000 H40 H -2.87500 -1.75800 4.74200 1.000