# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '976' 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 -0.37100 -2.68500 -0.11100 1.000 Cl1 Cl -5.37700 0.34000 -0.23200 1.000 C2 C -3.88400 -0.54500 -0.19600 1.000 O3 O 2.41400 -1.30200 2.10300 1.000 C4 C -3.90800 -1.93800 -0.25000 1.000 O5 O 4.19000 -0.06800 1.65000 1.000 C6 C -2.75600 -2.66100 -0.22300 1.000 C7 C -1.51800 -1.99900 -0.14000 1.000 C8 C -1.49700 -0.58400 -0.08500 1.000 C9 C -2.70200 0.13000 -0.11500 1.000 C10 C 0.79200 -2.08400 -0.03300 1.000 C11 C 0.90100 -0.70000 0.02500 1.000 C12 C -0.24800 0.08000 -0.00100 1.000 C13 C -0.17000 1.55800 0.05800 1.000 C14 C 2.25700 -0.04900 0.11400 1.000 C15 C 2.95900 -0.51900 1.36200 1.000 C16 C 3.08800 -0.43100 -1.11300 1.000 C17 C 4.41600 0.32700 -1.08600 1.000 C18 C 5.24700 -0.05500 -2.31300 1.000 C19 C 2.04700 -2.91800 -0.00500 1.000 C20 C -0.69300 2.24400 1.15400 1.000 C21 C -0.61800 3.62100 1.20300 1.000 C22 C -0.02400 4.32100 0.16800 1.000 C23 C 0.49600 3.64700 -0.92200 1.000 C24 C 0.43200 2.27000 -0.98000 1.000 H25 H -4.85600 -2.45100 -0.31400 1.000 H26 H 4.60000 -0.39800 2.46100 1.000 H27 H -2.79100 -3.74000 -0.26600 1.000 H28 H -2.69500 1.20900 -0.07400 1.000 H29 H 2.13900 1.03400 0.14900 1.000 H30 H 3.28100 -1.50400 -1.10100 1.000 H31 H 2.53900 -0.17100 -2.01900 1.000 H32 H 4.22300 1.40000 -1.09800 1.000 H33 H 4.96500 0.06700 -0.18100 1.000 H34 H 5.44000 -1.12800 -2.30100 1.000 H35 H 4.69900 0.20500 -3.21800 1.000 H36 H 6.19300 0.48500 -2.29300 1.000 H37 H 2.39800 -3.08100 -1.02400 1.000 H38 H 2.81600 -2.39800 0.56600 1.000 H39 H 1.83400 -3.87900 0.46300 1.000 H40 H -1.15700 1.69800 1.96200 1.000 H41 H -1.02300 4.15300 2.05100 1.000 H42 H 0.03200 5.39900 0.21100 1.000 H43 H 0.95700 4.19900 -1.72700 1.000 H44 H 0.84300 1.74400 -1.82900 1.000