# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '987' 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 -1.87600 -0.38100 2.00200 1.000 C1 C -2.52700 -1.36000 1.02300 1.000 N2 N -1.51600 -2.29300 0.52100 1.000 C3 C -1.57800 -3.75000 0.68800 1.000 C4 C -0.58200 -4.32600 -0.34300 1.000 C5 C 0.40100 -3.14600 -0.52500 1.000 N6 N 1.55000 -3.29300 0.37100 1.000 S7 S 3.05200 -2.79700 -0.12000 1.000 O8 O 3.93100 -3.03900 0.97000 1.000 O9 O 3.25100 -3.34600 -1.41600 1.000 C10 C 2.98300 -1.04900 -0.32500 1.000 C11 C 2.62100 -0.51600 -1.56100 1.000 C12 C 2.55700 0.83000 -1.75300 1.000 C13 C 2.86100 1.69900 -0.69100 1.000 C14 C 2.80600 3.09300 -0.85100 1.000 C15 C 3.10600 3.90500 0.20100 1.000 Cl16 Cl 3.03700 5.62700 0.00000 1.000 C17 C 3.46800 3.37100 1.43800 1.000 C18 C 3.53300 2.02500 1.62900 1.000 C19 C 3.22900 1.15700 0.56600 1.000 C20 C 3.27900 -0.23800 0.72700 1.000 C21 C -0.41500 -1.92600 -0.15700 1.000 O22 O -0.11700 -0.78300 -0.43100 1.000 C23 C -3.12200 -0.59500 -0.13100 1.000 O24 O -2.50200 -0.48100 -1.16700 1.000 N25 N -4.34400 -0.03800 -0.01200 1.000 C26 C -5.06000 -0.07100 1.27100 1.000 C27 C -5.46500 1.35700 1.64600 1.000 C28 C -6.26400 1.97600 0.49600 1.000 C29 C -5.39000 2.03600 -0.75900 1.000 N30 N -6.14700 2.65800 -1.85400 1.000 C31 C -4.98200 0.62000 -1.16000 1.000 H32 H -2.64300 0.25600 2.44400 1.000 H33 H -1.36900 -0.93800 2.79000 1.000 H34 H -1.15300 0.23700 1.47100 1.000 H35 H -3.31300 -1.91600 1.53500 1.000 H36 H -1.27800 -4.02700 1.69900 1.000 H37 H -2.58600 -4.11100 0.48100 1.000 H38 H -0.07000 -5.20200 0.05700 1.000 H39 H -1.08400 -4.56300 -1.28000 1.000 H40 H 0.73200 -3.08200 -1.56100 1.000 H41 H 1.43200 -3.68100 1.25300 1.000 H42 H 2.38700 -1.18200 -2.37900 1.000 H43 H 2.27500 1.22800 -2.71700 1.000 H44 H 2.52600 3.52000 -1.80300 1.000 H45 H 3.70200 4.03600 2.25700 1.000 H46 H 3.81600 1.62600 2.59200 1.000 H47 H 3.55400 -0.66500 1.68100 1.000 H48 H -5.95200 -0.69100 1.17500 1.000 H49 H -4.41000 -0.48400 2.04200 1.000 H50 H -6.08000 1.33700 2.54600 1.000 H51 H -4.57100 1.95300 1.83000 1.000 H52 H -7.14500 1.36600 0.29700 1.000 H53 H -6.57400 2.98400 0.77100 1.000 H54 H -4.49700 2.62500 -0.55300 1.000 H55 H -6.42900 3.59600 -1.61100 1.000 H56 H -5.61500 2.65100 -2.71100 1.000 H57 H -4.28000 0.66400 -1.99300 1.000 H58 H -5.86600 0.05400 -1.45400 1.000