# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CD7' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -4.30900 -3.09500 -0.56900 1.000 C1 C -3.84100 -1.99100 -0.38700 1.000 N2 N -4.62000 -0.89900 -0.51700 1.000 C3 C -6.01000 -1.01900 -0.98700 1.000 C4 C -6.88600 -0.23200 -0.03500 1.000 N5 N -7.97600 -0.72500 0.41900 1.000 C6 C -6.43300 1.15600 0.36300 1.000 C7 C -4.99400 1.07200 0.88400 1.000 C8 C -4.10300 0.43500 -0.18600 1.000 C9 C -2.69800 0.31200 0.34500 1.000 O10 O -2.44200 -0.51100 1.19900 1.000 N11 N -1.72600 1.11700 -0.12800 1.000 N12 N -0.42000 1.00300 0.36600 1.000 C13 C 0.55200 1.80800 -0.10700 1.000 O14 O 0.29600 2.63100 -0.96000 1.000 C15 C 1.95700 1.68600 0.42400 1.000 C16 C 2.89300 2.70600 -0.26300 1.000 C17 C 4.21400 1.94900 -0.49300 1.000 N18 N 4.03800 0.59000 0.06300 1.000 C19 C 2.57700 0.32300 0.02500 1.000 H20 H -2.80100 -1.88400 -0.11600 1.000 H21 H -6.09600 -0.60800 -1.99400 1.000 H22 H -6.31100 -2.06600 -0.98800 1.000 H23 H -8.52600 -0.20800 1.02900 1.000 H24 H -6.47100 1.81600 -0.50300 1.000 H25 H -7.08400 1.54200 1.14800 1.000 H26 H -4.63000 2.07400 1.11100 1.000 H27 H -4.97000 0.46300 1.78700 1.000 H28 H -4.10100 1.05700 -1.08100 1.000 H29 H -1.93100 1.77600 -0.81000 1.000 H30 H -0.21500 0.34500 1.04800 1.000 H31 H 1.97200 1.81700 1.50600 1.000 H32 H 2.47000 3.02600 -1.21500 1.000 H33 H 3.05700 3.56600 0.38600 1.000 H34 H 4.42600 1.88900 -1.56100 1.000 H35 H 5.02900 2.46100 0.01900 1.000 O36 O 4.77300 -0.39900 -0.72600 1.000 H37 H 2.30800 -0.44800 0.74600 1.000 H38 H 2.26500 0.03800 -0.98000 1.000 S39 S 5.83000 -1.15800 0.06300 1.000 O40 O 6.57000 -1.91600 -0.88500 1.000 O41 O 6.42800 -0.21600 0.94200 1.000 O42 O 5.10100 -2.16400 0.94200 1.000 H43 H 5.68600 -2.70400 1.49000 1.000