# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CEN' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy S0 S 0.76600 -1.32800 1.24600 1.000 C1 C 2.54900 -1.28100 1.01500 1.000 C2 C 3.00300 -0.11400 0.20300 1.000 C3 C 2.37100 1.03900 0.01500 1.000 N4 N 1.10900 1.23000 0.59300 1.000 C5 C 0.48500 0.42000 1.67500 1.000 C6 C -0.86800 0.99200 1.28800 1.000 C7 C -0.00800 1.93700 0.48000 1.000 O8 O -0.25500 2.98400 -0.08000 1.000 C9 C 4.33200 -0.26300 -0.49000 1.000 N10 N -1.69800 0.09200 0.48500 1.000 C11 C -3.04000 0.22400 0.49500 1.000 O12 O -3.55900 1.08800 1.16900 1.000 C13 C -3.89400 -0.70300 -0.33100 1.000 C14 C 6.17500 -1.83300 -0.53000 1.000 O15 O 6.82200 -1.01900 -1.14600 1.000 O16 O 4.93600 -1.52800 -0.11100 1.000 C17 C 6.75800 -3.19000 -0.23300 1.000 C18 C -5.36900 -0.34100 -0.14200 1.000 C19 C -6.23600 -1.28200 -0.98000 1.000 C20 C -7.68900 -0.92600 -0.79400 1.000 O21 O -8.63900 -1.62200 -1.43800 1.000 O22 O -7.99800 -0.01300 -0.06500 1.000 C23 C 2.99100 2.10600 -0.79100 1.000 O24 O 4.14700 1.87200 -1.44400 1.000 O25 O 2.46000 3.19600 -0.86800 1.000 H26 H 2.86500 -2.20300 0.52700 1.000 H27 H 3.02900 -1.21900 1.99100 1.000 H28 H 0.81200 0.68000 2.68200 1.000 H29 H -1.40800 1.46500 2.10800 1.000 H30 H 4.98900 0.55600 -0.19700 1.000 H31 H 4.18400 -0.24100 -1.57000 1.000 H32 H -1.28300 -0.60000 -0.05400 1.000 H33 H -3.62700 -0.60200 -1.38300 1.000 H34 H -3.72800 -1.73200 -0.01200 1.000 H35 H 7.35900 -3.13600 0.67500 1.000 H36 H 5.95100 -3.90900 -0.09200 1.000 H37 H 7.38500 -3.50700 -1.06600 1.000 H38 H -5.63500 -0.44200 0.91000 1.000 H39 H -5.53400 0.68700 -0.46200 1.000 H40 H -5.97000 -1.18100 -2.03300 1.000 H41 H -6.07100 -2.31100 -0.66100 1.000 H42 H -9.57000 -1.39400 -1.31800 1.000 H43 H 4.59100 2.59200 -1.91300 1.000