# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CIB' 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 -0.24000 0.75200 -4.04800 1.000 C1 C -0.15800 -0.34400 -3.08100 1.000 C2 C -0.28300 0.20600 -1.68400 1.000 O3 O 0.10700 1.32800 -1.43700 1.000 C4 C 1.18800 -1.05600 -3.23000 1.000 C5 C 1.31500 -1.61500 -4.64800 1.000 C6 C 2.66100 -2.32600 -4.79700 1.000 C7 C 0.18100 -2.60900 -4.90800 1.000 C8 C 0.66200 1.75300 -4.01000 1.000 C9 C 0.57800 2.88100 -5.00500 1.000 O10 O 1.54200 1.74400 -3.17600 1.000 N11 N -0.82800 -0.54600 -0.70800 1.000 C12 C -0.99500 0.00600 0.63700 1.000 C13 C -0.19300 -0.80800 1.61800 1.000 O14 O 0.45400 -1.75800 1.23100 1.000 C15 C -2.47400 -0.03700 1.02700 1.000 C16 C -3.27000 0.89500 0.11200 1.000 C17 C -4.76000 0.78700 0.44600 1.000 C18 C -2.80400 2.33600 0.32400 1.000 N19 N -0.19500 -0.48200 2.92600 1.000 C20 C 0.58500 -1.27400 3.88000 1.000 C21 C -0.26600 -2.39500 4.41700 1.000 O22 O -1.40700 -2.51900 4.04200 1.000 C23 C 1.03800 -0.38000 5.03500 1.000 C24 C 1.90300 0.75800 4.49000 1.000 C25 C 3.22200 2.79000 5.09900 1.000 C26 C 2.35700 1.65200 5.64500 1.000 H27 H -0.94400 0.75900 -4.71500 1.000 H28 H -0.96500 -1.05200 -3.26600 1.000 H29 H 1.99500 -0.34700 -3.04500 1.000 H30 H 1.24900 -1.87200 -2.51000 1.000 H31 H 1.25400 -0.79800 -5.36800 1.000 H32 H 2.75100 -2.72500 -5.80800 1.000 H33 H 3.46900 -1.61800 -4.61200 1.000 H34 H 2.72200 -3.14300 -4.07800 1.000 H35 H 0.24200 -3.42600 -4.18800 1.000 H36 H -0.77700 -2.10200 -4.80100 1.000 H37 H 0.27100 -3.00800 -5.91800 1.000 H38 H 1.38500 3.59000 -4.82000 1.000 H39 H 0.66800 2.48300 -6.01500 1.000 H40 H -0.38100 3.38800 -4.89900 1.000 H41 H -1.11000 -1.45500 -0.89800 1.000 H42 H -0.64600 1.03900 0.65100 1.000 H43 H -2.84700 -1.05600 0.92100 1.000 H44 H -2.58700 0.28400 2.06200 1.000 H45 H -3.10900 0.60900 -0.92600 1.000 H46 H -5.32700 1.45100 -0.20500 1.000 H47 H -5.09200 -0.24000 0.29500 1.000 H48 H -4.92100 1.07200 1.48500 1.000 H49 H -2.85900 2.58400 1.38400 1.000 H50 H -1.77500 2.44000 -0.02000 1.000 H51 H -3.44600 3.01300 -0.24100 1.000 H52 H -0.71300 0.27700 3.23500 1.000 H53 H 1.45800 -1.69000 3.37800 1.000 H54 H 0.14300 -3.08700 5.13700 1.000 H55 H 1.61900 -0.96900 5.74500 1.000 H56 H 0.16500 0.03600 5.53700 1.000 H57 H 1.32300 1.34700 3.78000 1.000 H58 H 2.77700 0.34200 3.98700 1.000 H59 H 3.54500 3.42800 5.92200 1.000 H60 H 4.09500 2.37400 4.59700 1.000 H61 H 2.64100 3.38000 4.39000 1.000 H62 H 2.93700 1.06300 6.35500 1.000 H63 H 1.48300 2.06800 6.14700 1.000