# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CDC' 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 5.09400 -0.53600 0.56700 1.000 C1 C 4.71800 -1.31200 -0.46700 1.000 N2 N 5.30800 -2.48400 -0.69700 1.000 C3 C 6.27600 -2.92200 0.09700 1.000 C4 C 6.68900 -2.13600 1.19200 1.000 C5 C 6.08400 -0.94400 1.40900 1.000 O6 O 3.83100 -0.93000 -1.21200 1.000 N7 N 6.87400 -4.13700 -0.14800 1.000 C8 C 4.43100 0.75100 0.79000 1.000 C9 C 4.62900 1.69000 -0.42700 1.000 O10 O 5.85600 2.41400 -0.31800 1.000 C11 C 3.41100 2.64300 -0.30300 1.000 C12 C 2.41000 1.86000 0.56800 1.000 O13 O 2.99800 0.58000 0.85500 1.000 O14 O 3.79400 3.86300 0.33600 1.000 C15 C 1.09600 1.67000 -0.19200 1.000 O16 O 0.13900 1.04100 0.66100 1.000 P17 P -1.21200 0.87300 -0.19900 1.000 O18 O -0.91300 0.13900 -1.44900 1.000 O19 O -1.80300 2.32600 -0.55800 1.000 O20 O -2.29700 0.05000 0.66000 1.000 P21 P -3.37000 -0.53800 -0.38600 1.000 O22 O -4.73000 -0.90800 0.39200 1.000 O23 O -3.66800 0.52300 -1.46800 1.000 O24 O -2.79700 -1.80800 -1.05300 1.000 C25 C -5.67700 -1.31000 -0.60000 1.000 C26 C -6.99900 -1.67700 0.07600 1.000 N27 N -7.60900 -0.46900 0.64900 1.000 C28 C -7.75500 0.54900 -0.39900 1.000 C29 C -6.74900 0.05100 1.72100 1.000 C30 C -8.93000 -0.80100 1.19800 1.000 H31 H 7.47600 -2.47900 1.84700 1.000 H32 H 6.38200 -0.32400 2.24200 1.000 H33 H 7.58200 -4.45400 0.43400 1.000 H34 H 6.58800 -4.67500 -0.90200 1.000 H35 H 4.80300 1.22000 1.70100 1.000 H36 H 4.59200 1.12900 -1.36100 1.000 H37 H 5.91900 2.97700 -1.10200 1.000 H38 H 2.98400 2.84600 -1.28500 1.000 H39 H 2.22600 2.40000 1.49700 1.000 H40 H 4.46400 4.27500 -0.22600 1.000 H41 H 1.27000 1.04400 -1.06700 1.000 H42 H 0.71700 2.64200 -0.51000 1.000 H43 H -1.98400 2.77000 0.28100 1.000 H44 H -5.29200 -2.17500 -1.14000 1.000 H45 H -5.84200 -0.48900 -1.29800 1.000 H46 H -6.81300 -2.40100 0.86900 1.000 H47 H -7.67600 -2.11100 -0.66000 1.000 H48 H -6.77500 0.79500 -0.80700 1.000 H49 H -8.39300 0.16300 -1.19500 1.000 H50 H -8.20700 1.44500 0.02600 1.000 H51 H -7.27900 0.83500 2.26200 1.000 H52 H -6.49500 -0.75600 2.40700 1.000 H53 H -5.83700 0.46100 1.28800 1.000 H54 H -9.56800 -1.18700 0.40300 1.000 H55 H -8.82100 -1.55700 1.97600 1.000 H56 H -9.38200 0.09500 1.62300 1.000