# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '98E' 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 2.33200 1.48300 0.17300 1.000 C1 C 3.04300 0.50200 1.11200 1.000 C2 C 8.50100 -2.19100 0.77700 1.000 C3 C 5.38700 -0.17800 0.87000 1.000 C4 C 2.93900 -1.98700 -0.72300 1.000 C5 C -2.44200 1.10200 -0.65200 1.000 C6 C -2.68600 2.30000 0.00600 1.000 C7 C -1.70800 3.27700 0.04500 1.000 C8 C -0.48800 3.06100 -0.57200 1.000 C9 C -0.24300 1.86800 -1.22700 1.000 C10 C -1.21600 0.88900 -1.26900 1.000 C11 C -0.94700 -0.41100 -1.98400 1.000 C12 C 1.08700 1.63700 -1.89800 1.000 C13 C -7.06600 -3.10700 0.36600 1.000 C14 C -6.27200 -1.18000 1.33400 1.000 C15 C -5.31100 -1.08300 0.32100 1.000 C16 C -5.29300 -2.07300 -0.66800 1.000 N17 N 1.92100 0.77700 -1.04800 1.000 N18 N 4.13500 -0.14600 0.37000 1.000 C19 C 3.82600 -0.75800 -0.93100 1.000 C20 C 3.08400 0.27300 -1.78900 1.000 C21 C 7.80800 -0.82300 0.90100 1.000 C22 C 6.46800 -0.93700 0.14500 1.000 C23 C 6.15900 -2.45500 0.14700 1.000 C24 C 7.55900 -3.09000 -0.05000 1.000 O25 O 5.64200 0.40400 1.90300 1.000 Cl26 Cl -2.01100 4.77500 0.86700 1.000 N27 N -3.42600 0.10900 -0.68800 1.000 N28 N -7.11800 -2.19500 1.31700 1.000 N29 N -6.17700 -3.05300 -0.60700 1.000 C30 C -8.04900 -4.24800 0.39400 1.000 C31 C -4.34400 0.03400 0.29700 1.000 O32 O -4.37500 0.88500 1.16400 1.000 H33 H 1.45200 1.89100 0.67100 1.000 H34 H 3.01100 2.29500 -0.08700 1.000 H35 H 3.45100 1.04300 1.96600 1.000 H36 H 2.33500 -0.25000 1.45900 1.000 H37 H 9.45700 -2.08000 0.26400 1.000 H38 H 8.65600 -2.62200 1.76600 1.000 H39 H 2.69700 -2.42800 -1.69000 1.000 H40 H 3.46900 -2.71800 -0.11200 1.000 H41 H 2.01900 -1.69100 -0.21900 1.000 H42 H -3.63800 2.46900 0.48700 1.000 H43 H 0.27400 3.82500 -0.54100 1.000 H44 H -1.16800 -0.29400 -3.04500 1.000 H45 H 0.10000 -0.68400 -1.85900 1.000 H46 H -1.58000 -1.19300 -1.56500 1.000 H47 H 0.92900 1.15200 -2.86100 1.000 H48 H 1.58800 2.59300 -2.05000 1.000 H49 H -6.32100 -0.43800 2.11700 1.000 H50 H -4.56900 -2.03600 -1.46800 1.000 H51 H 4.75000 -1.05300 -1.42900 1.000 H52 H 2.75000 -0.19700 -2.71400 1.000 H53 H 3.75300 1.10100 -2.02300 1.000 H54 H 7.62600 -0.59100 1.95100 1.000 H55 H 8.42700 -0.04800 0.44900 1.000 H56 H 6.57300 -0.56900 -0.87500 1.000 H57 H 5.72800 -2.76000 1.10100 1.000 H58 H 5.49400 -2.71500 -0.67600 1.000 H59 H 7.84100 -3.07200 -1.10300 1.000 H60 H 7.57300 -4.11100 0.33200 1.000 H61 H -3.44900 -0.52500 -1.42100 1.000 H62 H -8.94300 -3.97200 -0.16400 1.000 H63 H -7.59500 -5.13000 -0.06000 1.000 H64 H -8.31800 -4.47000 1.42600 1.000