# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9ES' 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 -8.21600 -3.43900 -0.08300 1.000 C1 C -6.88300 -2.71600 0.12300 1.000 C2 C -8.06800 -0.64200 0.51500 1.000 C3 C -9.40100 -1.36500 0.30900 1.000 C4 C -5.80500 -0.63200 -0.17000 1.000 C5 C -3.38000 0.70000 0.03300 1.000 C6 C -0.96500 0.66300 0.06800 1.000 C7 C 0.25200 1.29900 0.29300 1.000 C8 C 1.41600 0.54300 0.20900 1.000 C9 C 0.15400 -1.31900 -0.28800 1.000 C10 C 2.73900 2.53200 0.85100 1.000 C11 C 7.43200 -1.19000 -1.23600 1.000 C12 C 8.76500 -2.62800 -2.58100 1.000 O13 O -6.57100 3.06400 -0.25800 1.000 C14 C -5.53200 3.51400 -0.69400 1.000 C15 C -5.47100 4.94100 -1.17300 1.000 C16 C -6.84300 5.59600 -1.00300 1.000 N17 N -4.43200 2.73700 -0.74900 1.000 C18 C -4.51500 1.38000 -0.40800 1.000 C19 C -5.72600 0.71200 -0.50800 1.000 N20 N -7.02400 -1.30900 -0.27700 1.000 N21 N -9.25900 -2.77300 0.70900 1.000 C22 C -10.54000 -3.48300 0.59700 1.000 C23 C -11.52800 -2.91600 1.61800 1.000 C24 C -3.46500 -0.64200 0.37000 1.000 C25 C -4.67200 -1.30700 0.26800 1.000 N26 N -2.15400 1.37300 0.13400 1.000 N27 N -0.97100 -0.63800 -0.21800 1.000 N28 N 1.32600 -0.75300 -0.08100 1.000 N29 N 2.65700 1.13300 0.42600 1.000 C30 C 3.78400 0.41600 0.24300 1.000 O31 O 3.71600 -0.74500 -0.11000 1.000 N32 N 4.98700 0.98800 0.45300 1.000 C33 C 6.15900 0.26800 0.19000 1.000 C34 C 6.27000 -0.47800 -0.97600 1.000 Cl35 Cl 4.95500 -0.51800 -2.10900 1.000 O36 O 7.54100 -1.91900 -2.37800 1.000 C37 C 8.48400 -1.15300 -0.33400 1.000 C38 C 8.37500 -0.40900 0.83100 1.000 C39 C 7.21200 0.30000 1.09500 1.000 Cl40 Cl 7.07500 1.23200 2.55300 1.000 O41 O 9.40700 -0.37400 1.71500 1.000 C42 C 10.57400 -1.12800 1.37900 1.000 H43 H -8.48600 -3.41000 -1.13800 1.000 H44 H -8.12100 -4.47600 0.24000 1.000 H45 H -6.59900 -2.76900 1.17400 1.000 H46 H -6.11300 -3.19100 -0.48600 1.000 H47 H -8.16300 0.39400 0.19200 1.000 H48 H -7.79700 -0.67200 1.57100 1.000 H49 H -10.17000 -0.89000 0.91800 1.000 H50 H -9.68500 -1.31200 -0.74200 1.000 H51 H 0.29100 2.35300 0.52700 1.000 H52 H 0.11600 -2.37300 -0.52200 1.000 H53 H 2.73000 2.58200 1.94000 1.000 H54 H 3.66300 2.97300 0.47600 1.000 H55 H 1.88600 3.08300 0.45500 1.000 H56 H 9.59400 -1.92100 -2.60500 1.000 H57 H 8.91400 -3.33600 -1.76600 1.000 H58 H 8.72000 -3.16700 -3.52700 1.000 H59 H -4.73200 5.48900 -0.58900 1.000 H60 H -5.18800 4.95900 -2.22600 1.000 H61 H -7.12600 5.57800 0.05000 1.000 H62 H -6.79900 6.62800 -1.35000 1.000 H63 H -7.58200 5.04800 -1.58700 1.000 H64 H -3.58300 3.11700 -1.02400 1.000 H65 H -6.60600 1.23600 -0.84900 1.000 H66 H -10.94100 -3.35300 -0.40800 1.000 H67 H -10.38400 -4.54400 0.79200 1.000 H68 H -11.12700 -3.04600 2.62300 1.000 H69 H -11.68400 -1.85500 1.42300 1.000 H70 H -12.47900 -3.44400 1.53500 1.000 H71 H -2.58600 -1.16900 0.71000 1.000 H72 H -4.73600 -2.35200 0.53100 1.000 H73 H -2.13800 2.33600 0.25100 1.000 H74 H 5.04000 1.89700 0.78600 1.000 H75 H 9.39000 -1.70400 -0.53900 1.000 H76 H 11.31900 -1.01400 2.16700 1.000 H77 H 10.31000 -2.18000 1.27800 1.000 H78 H 10.98300 -0.76400 0.43700 1.000