# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C3M' 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 -2.81400 0.45800 1.37700 1.000 C1 C -2.74100 0.47700 -0.09100 1.000 C2 C -4.11300 0.83800 -0.66400 1.000 C3 C -5.10000 -0.24900 -0.32800 1.000 C4 C -5.83000 -0.18200 0.84400 1.000 C5 C -6.73600 -1.18000 1.15200 1.000 C6 C -6.91200 -2.24500 0.28800 1.000 C7 C -6.18300 -2.31100 -0.88400 1.000 C8 C -5.28000 -1.31100 -1.19500 1.000 C9 C -1.71200 1.51700 -0.53700 1.000 O10 O -1.64100 1.53600 -1.96400 1.000 C11 C -0.34000 1.15600 0.03700 1.000 N12 N 0.62000 2.21400 -0.29000 1.000 S13 S 2.07300 2.28600 0.50200 1.000 O14 O 1.76700 2.15200 1.88300 1.000 O15 O 2.77600 3.37400 -0.08300 1.000 C16 C 2.98100 0.84000 0.06900 1.000 C17 C 3.82000 0.86400 -1.04400 1.000 C18 C 4.53600 -0.23600 -1.40600 1.000 C19 C 4.43000 -1.41500 -0.64800 1.000 C20 C 5.15300 -2.56900 -0.99000 1.000 C21 C 5.02600 -3.69300 -0.23200 1.000 C22 C 4.18700 -3.71700 0.88100 1.000 C23 C 3.47100 -2.61700 1.24200 1.000 C24 C 3.57700 -1.43900 0.48400 1.000 C25 C 2.85800 -0.28200 0.82900 1.000 H26 H -3.09100 1.38400 1.66500 1.000 H27 H -3.57200 -0.16100 1.62100 1.000 H28 H -2.44400 -0.50700 -0.45200 1.000 H29 H -4.45000 1.78100 -0.23400 1.000 H30 H -4.03800 0.94000 -1.74700 1.000 H31 H -5.69200 0.65000 1.51900 1.000 H32 H -7.30500 -1.12800 2.06800 1.000 H33 H -7.61900 -3.02500 0.53000 1.000 H34 H -6.32000 -3.14300 -1.55900 1.000 H35 H -4.71100 -1.36300 -2.11100 1.000 H36 H -2.00900 2.50200 -0.17500 1.000 H37 H -1.37500 0.64900 -2.24200 1.000 H38 H -0.41500 1.05500 1.12000 1.000 H39 H -0.00300 0.21300 -0.39400 1.000 H40 H 0.40400 2.87100 -0.97000 1.000 H41 H 3.90300 1.76800 -1.62800 1.000 H42 H 5.18200 -0.20300 -2.27100 1.000 H43 H 5.80700 -2.56600 -1.84900 1.000 H44 H 5.58300 -4.58000 -0.49700 1.000 H45 H 4.10400 -4.62100 1.46500 1.000 H46 H 2.82500 -2.65000 2.10600 1.000 H47 H 2.20700 -0.28400 1.69200 1.000