# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CQN' 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 1.87400 -0.46800 -1.52800 1.000 C1 C 1.71900 -0.50900 2.25700 1.000 C2 C 0.67800 0.24100 1.40000 1.000 C3 C -2.45400 1.17900 -1.71600 1.000 C4 C -2.03700 2.12200 -0.61700 1.000 C5 C -0.86100 2.84000 -0.73200 1.000 C6 C -0.47800 3.70400 0.27600 1.000 C7 C -1.27100 3.85100 1.39900 1.000 C8 C -2.44600 3.13200 1.51400 1.000 C9 C -2.83200 2.27200 0.50300 1.000 C10 C -2.63300 -1.07600 -0.70200 1.000 C11 C 0.49900 -0.05100 -1.00100 1.000 C12 C -3.85800 -0.71500 -0.15500 1.000 C13 C -4.57800 -1.63000 0.58700 1.000 C14 C -4.08100 -2.90500 0.78500 1.000 C15 C -2.86300 -3.26900 0.24100 1.000 C16 C -2.14000 -2.36000 -0.50600 1.000 C17 C -0.58300 -0.51500 -1.97800 1.000 C18 C 4.21600 -0.23000 -1.08000 1.000 C19 C 5.20600 0.23600 -0.01000 1.000 C20 C 5.18000 -0.73900 1.16900 1.000 C21 C 6.61500 0.28100 -0.60400 1.000 C22 C 1.02800 -1.93000 0.44500 1.000 C23 C 1.42300 -1.99900 1.94100 1.000 N24 N 0.27100 -0.66700 0.31200 1.000 N25 N -1.90200 -0.15300 -1.45300 1.000 O26 O 2.88200 -0.07200 -0.59500 1.000 H27 H 1.90100 -1.55100 -1.65500 1.000 H28 H 2.05700 0.01500 -2.48800 1.000 H29 H 2.73200 -0.24400 1.95200 1.000 H30 H 1.56800 -0.30200 3.31600 1.000 H31 H -0.18800 0.50000 2.01100 1.000 H32 H 1.12300 1.14400 0.98200 1.000 H33 H -3.54200 1.12000 -1.75100 1.000 H34 H -2.07900 1.54500 -2.67200 1.000 H35 H -0.24200 2.72500 -1.61000 1.000 H36 H 0.44000 4.26500 0.18600 1.000 H37 H -0.97100 4.52600 2.18700 1.000 H38 H -3.06800 3.25000 2.39000 1.000 H39 H -3.75100 1.71100 0.59300 1.000 H40 H 0.46100 1.03400 -0.90500 1.000 H41 H -4.24600 0.28100 -0.30900 1.000 H42 H -5.53000 -1.35000 1.01300 1.000 H43 H -4.64700 -3.61900 1.36600 1.000 H44 H -2.47800 -4.26600 0.39800 1.000 H45 H -1.18900 -2.64400 -0.93100 1.000 H46 H -0.43200 -0.03400 -2.94400 1.000 H47 H -0.52500 -1.59700 -2.09800 1.000 H48 H 4.34800 0.36700 -1.98200 1.000 H49 H 4.39800 -1.28000 -1.30900 1.000 H50 H 4.92500 1.23100 0.33600 1.000 H51 H 5.80200 -0.35100 1.97500 1.000 H52 H 4.15500 -0.85400 1.52300 1.000 H53 H 5.56400 -1.70700 0.84800 1.000 H54 H 6.63400 0.97600 -1.44300 1.000 H55 H 7.32000 0.61400 0.15900 1.000 H56 H 6.89600 -0.71400 -0.94900 1.000 H57 H 1.92000 -1.90500 -0.18200 1.000 H58 H 0.40100 -2.78000 0.17800 1.000 H59 H 2.31300 -2.61200 2.08200 1.000 H60 H 0.59500 -2.36900 2.54700 1.000