# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '088' 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 -4.95900 -3.91000 0.62100 1.000 C1 C -4.55100 -3.11000 -0.61800 1.000 C2 C -5.44100 -3.50700 -1.79700 1.000 C3 C -4.71200 -1.63800 -0.34000 1.000 O4 O -5.84600 -1.00500 -0.00900 1.000 N5 N -5.66900 0.18000 0.15300 1.000 C6 C -4.41600 0.50800 -0.04200 1.000 C7 C -3.73900 -0.69900 -0.37200 1.000 C8 C -2.27800 -0.88700 -0.69200 1.000 O9 O -1.58100 -1.29300 0.48700 1.000 C10 C -0.24300 -1.50700 0.37000 1.000 C11 C 0.38400 -1.32100 -0.86000 1.000 C12 C 1.73800 -1.53300 -0.99600 1.000 C13 C 2.49200 -1.93600 0.10100 1.000 N14 N 3.83000 -2.22000 0.27700 1.000 C15 C 4.85100 -2.14900 -0.77200 1.000 C16 C 5.35900 -0.73500 -0.88300 1.000 C17 C 4.73900 0.15600 -1.74000 1.000 C18 C 5.20000 1.45700 -1.84800 1.000 C19 C 6.28100 1.87300 -1.10000 1.000 C20 C 6.91200 0.97900 -0.23300 1.000 C21 C 6.43900 -0.33000 -0.12500 1.000 C22 C 8.07100 1.41800 0.57100 1.000 O23 O 8.52200 2.68300 0.46700 1.000 O24 O 8.61800 0.63800 1.32500 1.000 C25 C 4.06200 -2.57800 1.57700 1.000 C26 C 2.91500 -2.54100 2.27300 1.000 C27 C 1.86200 -2.12400 1.34400 1.000 C28 C 0.49000 -1.90200 1.47200 1.000 C29 C -3.82200 1.86300 0.06500 1.000 C30 C -3.17700 2.43400 -1.03200 1.000 Cl31 Cl -3.06700 1.55900 -2.52800 1.000 C32 C -2.62500 3.69600 -0.92600 1.000 C33 C -2.71200 4.39400 0.26500 1.000 C34 C -3.35000 3.83400 1.35600 1.000 C35 C -3.91100 2.57500 1.26100 1.000 Cl36 Cl -4.71900 1.87600 2.63000 1.000 H37 H -4.84300 -4.97500 0.42100 1.000 H38 H -4.32600 -3.62700 1.46200 1.000 H39 H -6.00100 -3.69700 0.86400 1.000 H40 H -3.51000 -3.32200 -0.86000 1.000 H41 H -5.32500 -4.57200 -1.99800 1.000 H42 H -6.48200 -3.29500 -1.55500 1.000 H43 H -5.15000 -2.93700 -2.68000 1.000 H44 H -2.17000 -1.65200 -1.46100 1.000 H45 H -1.86200 0.05400 -1.05400 1.000 H46 H -0.19700 -1.00900 -1.71500 1.000 H47 H 2.21400 -1.38600 -1.95400 1.000 H48 H 5.67800 -2.81400 -0.52000 1.000 H49 H 4.41600 -2.45500 -1.72300 1.000 H50 H 3.89200 -0.16500 -2.32800 1.000 H51 H 4.71100 2.14700 -2.52000 1.000 H52 H 6.64000 2.88800 -1.18600 1.000 H53 H 6.92000 -1.02500 0.54700 1.000 H54 H 9.28400 2.92400 1.01300 1.000 H55 H 5.02500 -2.85100 1.98200 1.000 H56 H 2.79200 -2.77400 3.32100 1.000 H57 H 0.00300 -2.04200 2.42500 1.000 H58 H -2.12500 4.13900 -1.77500 1.000 H59 H -2.27800 5.38000 0.34300 1.000 H60 H -3.41500 4.38300 2.28400 1.000