# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'H91' 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 -1.97300 4.65200 0.39000 1.000 C1 C -3.34100 5.07900 0.06800 1.000 O2 O 3.79700 2.78100 -0.33900 1.000 C3 C -1.47100 5.34900 1.58200 1.000 C4 C 5.87400 -0.06900 -0.03700 1.000 C5 C 4.78000 -1.11000 0.00700 1.000 C6 C 5.06200 -2.45800 0.12400 1.000 C7 C 2.81200 -3.01300 0.08900 1.000 C8 C 1.80400 -3.99400 0.13000 1.000 C9 C 0.49700 -3.63200 0.05600 1.000 C10 C 0.12700 -2.28300 -0.06200 1.000 C11 C 1.09400 -1.29400 -0.10900 1.000 C12 C 2.44600 -1.64800 -0.03200 1.000 C13 C 3.46800 -0.67400 -0.07400 1.000 C14 C -1.90400 3.19500 0.56400 1.000 C15 C -1.30800 -1.91600 -0.14300 1.000 C16 C -2.28500 -2.82600 0.25900 1.000 C17 C -3.61900 -2.48200 0.18300 1.000 C18 C -3.98900 -1.23100 -0.29300 1.000 C19 C -3.01800 -0.32300 -0.69400 1.000 C20 C -1.68200 -0.66000 -0.61500 1.000 C21 C -0.44000 2.76000 0.65000 1.000 C22 C -0.36900 1.26800 0.98200 1.000 C23 C 1.09500 0.83400 1.06800 1.000 C24 C 1.78300 1.09100 -0.27400 1.000 C25 C 1.71200 2.58300 -0.60600 1.000 C26 C 0.24800 3.01700 -0.69200 1.000 C27 C 4.13600 1.61800 -0.23400 1.000 N28 N 3.18500 0.67500 -0.19200 1.000 N29 N 5.44900 1.33600 -0.16300 1.000 N30 N 4.10200 -3.35700 0.16100 1.000 O31 O -5.30400 -0.89700 -0.37200 1.000 Cl32 Cl -4.83600 -3.61400 0.68400 1.000 Cl33 Cl -3.48500 1.24000 -1.29000 1.000 H34 H -4.01200 4.79200 0.87700 1.000 H35 H -3.36400 6.16200 -0.05600 1.000 H36 H -3.66200 4.60100 -0.85800 1.000 H37 H -2.11700 5.12600 2.43200 1.000 H38 H -0.45700 5.01400 1.79900 1.000 H39 H -1.46800 6.42400 1.40000 1.000 H40 H 6.46400 -0.16200 0.87600 1.000 H41 H 6.52500 -0.30100 -0.88000 1.000 H42 H 6.09100 -2.78100 0.18700 1.000 H43 H 2.07000 -5.03600 0.22100 1.000 H44 H -0.26900 -4.39300 0.08700 1.000 H45 H 0.80700 -0.25700 -0.20000 1.000 H46 H -2.42100 2.91400 1.48200 1.000 H47 H -2.38000 2.70500 -0.28500 1.000 H48 H -1.99700 -3.79900 0.62900 1.000 H49 H -0.92700 0.04700 -0.92700 1.000 H50 H 0.06300 3.33000 1.43100 1.000 H51 H -0.85900 1.08500 1.93800 1.000 H52 H -0.87200 0.69800 0.20100 1.000 H53 H 1.59800 1.40400 1.84900 1.000 H54 H 1.14500 -0.22900 1.30400 1.000 H55 H 1.28000 0.52100 -1.05500 1.000 H56 H 2.21500 3.15300 0.17500 1.000 H57 H 2.20300 2.76600 -1.56200 1.000 H58 H -0.25500 2.44700 -1.47300 1.000 H59 H 0.19800 4.08000 -0.92800 1.000 H60 H 6.10800 2.04700 -0.19700 1.000 H61 H -5.71800 -1.12700 -1.21500 1.000