# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'I96' 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 1.80000 -1.07900 2.67600 1.000 C1 C 2.87800 -1.65200 2.00200 1.000 N2 N 1.74000 -1.09100 4.08700 1.000 C3 C 0.76400 -0.48400 1.95500 1.000 C4 C 2.92100 -1.63100 0.60800 1.000 C5 C 4.00100 -2.29600 2.74900 1.000 C6 C 0.66500 -1.11800 4.99400 1.000 C7 C 0.80700 -0.46300 0.56100 1.000 C8 C 1.88500 -1.03600 -0.11200 1.000 C9 C 5.34800 -1.59100 2.50500 1.000 C10 C 4.12900 -3.79700 2.43400 1.000 N11 N -0.58800 -1.14000 4.75300 1.000 N12 N 0.96300 -1.12200 6.29300 1.000 C13 C -1.08400 -1.15900 6.02500 1.000 N14 N -0.17500 -1.14900 7.00300 1.000 S15 S -2.79700 -1.19400 6.36500 1.000 C16 C -3.47400 -1.19400 4.68400 1.000 C17 C -4.97800 -1.22300 4.67800 1.000 C18 C -5.83000 -0.32300 5.24500 1.000 S19 S -5.76800 -2.50400 3.88700 1.000 C20 C -7.18900 -0.69100 5.02700 1.000 C21 C -7.29900 -1.85800 4.30200 1.000 H22 H 2.65300 -1.07700 4.53000 1.000 H23 H -0.08100 -0.03300 2.46900 1.000 H24 H 3.75700 -2.07500 0.07400 1.000 H25 H 3.81300 -2.22700 3.83600 1.000 H26 H 0.00000 0.00100 0.00000 1.000 H27 H 1.91900 -1.02000 -1.19800 1.000 H28 H 5.66100 -1.67000 1.45800 1.000 H29 H 6.14200 -2.02400 3.12300 1.000 H30 H 5.27300 -0.52600 2.75100 1.000 H31 H 3.18200 -4.31200 2.62800 1.000 H32 H 4.90000 -4.27000 3.05300 1.000 H33 H 4.39500 -3.96900 1.38500 1.000 H34 H 1.85200 -1.10900 6.77800 1.000 H35 H -3.07600 -2.06000 4.14300 1.000 H36 H -3.11200 -0.30400 4.15900 1.000 H37 H -5.51500 0.55700 5.79100 1.000 H38 H -8.04100 -0.12900 5.38300 1.000 H39 H -8.20600 -2.36000 3.99400 1.000