# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'JI3' 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 -0.27300 7.48500 -6.43100 1.000 C1 C -0.66800 7.64900 -7.75900 1.000 C2 C -2.01700 7.82100 -8.06900 1.000 Cl3 Cl -2.50400 8.02400 -9.70700 1.000 C4 C -2.97100 7.82900 -7.05100 1.000 C5 C -2.57600 7.66500 -5.72300 1.000 C6 C -1.22900 7.49500 -5.42300 1.000 C7 C 4.45300 -0.11400 -2.58000 1.000 N8 N 5.23700 -1.23000 -2.19700 1.000 C9 C 4.42800 0.21300 -3.92600 1.000 C10 C 3.66400 1.30700 -4.31600 1.000 C11 C 2.95900 2.03100 -3.36200 1.000 C12 C 3.05400 1.61800 -2.04800 1.000 N13 N 3.78000 0.56600 -1.62400 1.000 N14 N 0.91500 1.14900 1.50500 1.000 C15 C 0.32500 2.49300 1.44700 1.000 C16 C -0.05300 2.72500 -0.01300 1.000 C17 C 0.89700 1.80500 -0.78300 1.000 C18 C 0.91100 0.59400 0.14600 1.000 C19 C 2.30300 2.37600 -0.99000 1.000 C20 C 3.60300 1.70400 -5.75200 1.000 N21 N -0.02100 4.12400 -0.40000 1.000 C22 C -0.38000 4.28900 -1.80300 1.000 C23 C -0.41800 5.75000 -2.21800 1.000 N24 N -0.79200 5.90900 -3.59700 1.000 C25 C -0.80400 7.31700 -3.99400 1.000 H26 H 0.78100 7.35200 -6.19900 1.000 H27 H 0.08700 7.64100 -8.54100 1.000 H28 H -4.02600 7.96200 -7.27800 1.000 H29 H -3.32600 7.67200 -4.93700 1.000 H30 H 5.96800 -1.53500 -2.80200 1.000 H31 H 4.98000 -1.74200 -1.38100 1.000 H32 H 4.98400 -0.36400 -4.65800 1.000 H33 H 2.35700 2.89000 -3.64400 1.000 H34 H 0.38300 0.54700 2.13200 1.000 H35 H 1.07500 3.21400 1.79200 1.000 H36 H -0.54800 2.57800 2.10300 1.000 H37 H -1.07900 2.36100 -0.16500 1.000 H38 H 0.48300 1.54500 -1.76400 1.000 H39 H 0.00100 -0.00200 -0.00100 1.000 H40 H 1.77500 -0.05700 -0.01800 1.000 H41 H 2.84900 2.34000 -0.04300 1.000 H42 H 2.22700 3.43100 -1.26500 1.000 H43 H 4.26300 1.06700 -6.35400 1.000 H44 H 2.58200 1.61800 -6.14700 1.000 H45 H 3.90900 2.75000 -5.89000 1.000 H46 H -0.68000 4.65000 0.17600 1.000 H47 H 0.34800 3.72500 -2.39500 1.000 H48 H -1.36600 3.83300 -1.93800 1.000 H49 H -1.15600 6.29400 -1.62000 1.000 H50 H 0.55700 6.22800 -2.08400 1.000 H51 H -0.13200 5.40900 -4.20300 1.000 H52 H 0.20200 7.72100 -3.83700 1.000 H53 H -1.47800 7.85100 -3.31500 1.000