# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '5MC' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P0 P 1.13000 -0.10000 -4.23200 1.000 O1 O 1.70800 1.21900 -3.89300 1.000 O2 O 2.28700 -1.06200 -4.80300 1.000 O3 O -0.01300 0.08500 -5.35100 1.000 O4 O 0.48700 -0.75900 -2.91200 1.000 C5 C -0.52800 0.13600 -2.45500 1.000 C6 C -1.18200 -0.43400 -1.19600 1.000 O7 O -0.20600 -0.57200 -0.14000 1.000 C8 C -2.23100 0.55300 -0.63700 1.000 O9 O -3.54500 0.17800 -1.05600 1.000 C10 C -2.09200 0.42100 0.89700 1.000 O11 O -3.31700 -0.03600 1.47300 1.000 C12 C -0.97400 -0.62700 1.08200 1.000 N13 N -0.13100 -0.27800 2.22800 1.000 C14 C 0.50500 0.90600 2.25500 1.000 O15 O 0.37400 1.67800 1.32000 1.000 N16 N 1.27700 1.24900 3.28500 1.000 C17 C 1.43200 0.43000 4.31700 1.000 N18 N 2.23100 0.79400 5.37500 1.000 C19 C 0.78200 -0.82100 4.31800 1.000 C20 C 0.00100 -1.15500 3.26300 1.000 C21 C 0.94900 -1.76900 5.47700 1.000 H22 H 2.64500 -0.63200 -5.59200 1.000 H23 H -0.36200 -0.79500 -5.54200 1.000 H24 H -1.28100 0.25800 -3.23300 1.000 H25 H -0.08200 1.10400 -2.22600 1.000 H26 H -1.64600 -1.39600 -1.41200 1.000 H27 H -2.00500 1.57000 -0.95700 1.000 H28 H -4.15400 0.82800 -0.67900 1.000 H29 H -1.79700 1.37400 1.33700 1.000 H30 H -3.98700 0.63100 1.27200 1.000 H31 H -1.40300 -1.62000 1.21500 1.000 H32 H 2.68300 1.65300 5.36900 1.000 H33 H 2.34300 0.19400 6.12900 1.000 H34 H -0.50900 -2.10600 3.24200 1.000 H35 H 1.61000 -1.32200 6.22000 1.000 H36 H -0.02300 -1.96600 5.92800 1.000 H37 H 1.38100 -2.70500 5.12200 1.000