# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common 'CHI' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cl0 Cl -1.32600 -0.86800 -7.82200 1.000 C1 C -1.37500 -0.31900 -6.17500 1.000 C2 C -2.19700 0.74500 -5.82800 1.000 C3 C -2.25000 1.19600 -4.52800 1.000 C4 C -1.47400 0.58100 -3.55000 1.000 N5 N -1.31500 0.79700 -2.20100 1.000 C6 C -0.64100 -0.49800 -3.90400 1.000 C7 C -0.60400 -0.93800 -5.23300 1.000 C8 C 0.02100 -0.91200 -2.72300 1.000 C9 C -0.40600 -0.11800 -1.70700 1.000 C10 C 0.03200 -0.21300 -0.30700 1.000 O11 O 0.84100 -1.06100 0.01900 1.000 N12 N -0.46100 0.63800 0.61200 1.000 C13 C -0.02300 0.54200 2.00700 1.000 C14 C -1.13600 1.00100 2.91500 1.000 O15 O -2.00800 1.72600 2.48700 1.000 N16 N -1.16100 0.60400 4.20300 1.000 C17 C -0.09500 -0.24900 4.74500 1.000 C18 C -0.73100 -1.48400 5.39000 1.000 C19 C -1.76600 -1.03700 6.42500 1.000 O20 O -2.33900 -2.18700 7.05200 1.000 C21 C -2.86800 -0.23200 5.73300 1.000 C22 C -2.25600 1.01700 5.09200 1.000 C23 C 1.20400 1.43000 2.21800 1.000 C24 C 2.35900 0.88900 1.41500 1.000 C25 C 2.55800 1.31800 0.11600 1.000 C26 C 3.61600 0.82300 -0.62100 1.000 C27 C 4.47700 -0.10400 -0.05900 1.000 F28 F 5.51200 -0.58900 -0.77900 1.000 C29 C 4.27700 -0.53300 1.24100 1.000 C30 C 3.22100 -0.03200 1.97900 1.000 H31 H -2.80000 1.22400 -6.58500 1.000 H32 H -2.89300 2.02400 -4.26800 1.000 H33 H -1.76700 1.48100 -1.68100 1.000 H34 H 0.03100 -1.76600 -5.51100 1.000 H35 H 0.73700 -1.71600 -2.64400 1.000 H36 H -1.10500 1.31400 0.35100 1.000 H37 H 0.23100 -0.49100 2.23800 1.000 H38 H 0.47000 0.30400 5.49400 1.000 H39 H 0.56900 -0.55900 3.93800 1.000 H40 H 0.04000 -2.07700 5.87900 1.000 H41 H -1.22000 -2.08400 4.62200 1.000 H42 H -1.28200 -0.41700 7.17800 1.000 H43 H -2.98300 -1.86200 7.69500 1.000 H44 H -3.33700 -0.84400 4.96200 1.000 H45 H -3.61700 0.06500 6.46700 1.000 H46 H -1.86700 1.67300 5.87000 1.000 H47 H -3.01700 1.54200 4.51500 1.000 H48 H 0.97900 2.44500 1.89300 1.000 H49 H 1.47000 1.43800 3.27600 1.000 H50 H 1.88600 2.04200 -0.32100 1.000 H51 H 3.77100 1.15800 -1.63600 1.000 H52 H 4.94700 -1.25700 1.68100 1.000 H53 H 3.06500 -0.36700 2.99400 1.000