# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'C4N' 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 0.10100 2.20100 -0.16900 1.000 C1 C 0.70100 3.47200 -0.26600 1.000 C2 C 1.98500 3.67400 0.19300 1.000 O3 O 0.01000 4.50400 -0.81500 1.000 C4 C 2.10300 1.34300 0.85600 1.000 C5 C 2.69800 2.61800 0.75600 1.000 C6 C 3.09800 0.47600 1.48300 1.000 C7 C 2.92800 -0.98700 1.80100 1.000 C8 C 3.38200 -1.81300 0.62600 1.000 C9 C 2.48400 -2.15600 -0.36700 1.000 C10 C 2.90300 -2.91000 -1.44800 1.000 C11 C 4.70000 -2.22400 0.53800 1.000 C12 C -0.51500 -0.02300 -1.78800 1.000 C13 C -2.89700 0.81300 -2.03600 1.000 C14 C -4.48400 0.60400 -0.11200 1.000 C15 C -5.26400 -0.15400 0.74200 1.000 C16 C 6.55300 -3.42800 -0.63600 1.000 C17 C 0.80300 1.14100 0.39200 1.000 C18 C -1.27500 1.99700 -0.65700 1.000 N19 N -1.55400 0.95900 -1.47000 1.000 O20 O -2.15800 2.76500 -0.32600 1.000 N21 N 3.95500 2.50800 1.28700 1.000 N22 N 4.15900 1.19300 1.71600 1.000 C23 C 4.22000 -3.32000 -1.53600 1.000 C24 C 5.11700 -2.98100 -0.54000 1.000 C25 C -3.74700 -0.01300 -1.10600 1.000 C26 C -5.30200 -1.53000 0.60500 1.000 C27 C -4.56100 -2.14700 -0.38700 1.000 C28 C -3.79000 -1.38800 -1.24700 1.000 Cl29 Cl -6.28100 -2.48200 1.67700 1.000 H30 H 2.43800 4.65100 0.11500 1.000 H31 H -0.50800 5.01400 -0.17700 1.000 H32 H 3.52500 -1.24100 2.67700 1.000 H33 H 1.87700 -1.19400 2.00600 1.000 H34 H 1.45500 -1.83600 -0.29800 1.000 H35 H 2.20100 -3.17800 -2.22400 1.000 H36 H 5.40300 -1.95200 1.31100 1.000 H37 H -0.47700 -0.77900 -1.00400 1.000 H38 H -0.74400 -0.49900 -2.74200 1.000 H39 H 0.45100 0.47900 -1.85600 1.000 H40 H -3.34800 1.79800 -2.16200 1.000 H41 H -2.83200 0.31700 -3.00500 1.000 H42 H -4.45400 1.67800 -0.00600 1.000 H43 H -5.84300 0.32900 1.51500 1.000 H44 H 7.13400 -2.67400 -1.16500 1.000 H45 H 6.95900 -3.56300 0.36600 1.000 H46 H 6.60400 -4.37200 -1.17900 1.000 H47 H 0.34500 0.16600 0.46800 1.000 H48 H 4.60200 3.22800 1.35500 1.000 H49 H 4.54700 -3.90900 -2.38000 1.000 H50 H -4.59000 -3.22100 -0.49400 1.000 H51 H -3.21100 -1.86900 -2.02100 1.000