# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9WD' 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 2.08900 2.12600 -0.47800 1.000 C1 C 3.30000 2.40300 -1.33200 1.000 C2 C 4.39800 1.43600 -0.97400 1.000 C3 C 4.49500 0.22600 -1.63500 1.000 C4 C 5.50200 -0.66200 -1.30900 1.000 C5 C 6.41600 -0.33900 -0.31600 1.000 C6 C 6.31700 0.87700 0.34600 1.000 C7 C 9.18700 -2.14200 0.96500 1.000 C8 C 8.69900 -3.03600 0.00600 1.000 C9 C -3.14800 -1.03400 -0.03000 1.000 C10 C -2.90600 -2.37200 0.61900 1.000 C11 C -2.06300 -4.32800 1.12300 1.000 C12 C -5.61900 -1.40100 -0.09100 1.000 C13 C -4.69800 0.92300 -0.14500 1.000 C14 C -8.18000 0.94400 -0.72500 1.000 C15 C 2.68600 4.28000 2.42800 1.000 O16 O 2.88800 3.64700 1.16400 1.000 C17 C 1.93600 2.77300 0.75300 1.000 N18 N 0.89100 2.55500 1.52200 1.000 C19 C -0.07300 1.70200 1.15900 1.000 C20 C -1.18700 1.47400 1.98400 1.000 C21 C -2.15400 0.60000 1.58900 1.000 C22 C -2.05900 -0.07500 0.37500 1.000 C23 C -0.99300 0.12100 -0.45100 1.000 C24 C 0.02100 1.01400 -0.07600 1.000 C25 C 1.13600 1.24800 -0.90800 1.000 Cl26 Cl 1.29900 0.43200 -2.43100 1.000 C27 C 5.31100 1.76300 0.01200 1.000 N28 N 7.43800 -1.23900 0.01700 1.000 C29 C 8.39600 -1.04500 0.95200 1.000 N30 N 7.65500 -2.49400 -0.56600 1.000 O31 O -3.14500 -1.18600 -1.45100 1.000 C32 C -3.62000 -2.91900 1.62200 1.000 N33 N -3.08300 -4.11400 1.90900 1.000 N34 N -1.92200 -3.26800 0.29900 1.000 C35 C -0.90200 -3.10500 -0.74000 1.000 C36 C -4.50400 -0.48600 0.42100 1.000 C37 C -6.97200 -0.86900 0.39200 1.000 N38 N -7.10400 0.53400 -0.02500 1.000 C39 C -6.04100 1.48100 0.33700 1.000 C40 C -8.35800 2.40600 -1.04500 1.000 O41 O -9.00400 0.13700 -1.09900 1.000 H42 H 3.03800 2.28300 -2.38300 1.000 H43 H 3.64200 3.42300 -1.15700 1.000 H44 H 3.78300 -0.02500 -2.40800 1.000 H45 H 5.57600 -1.60800 -1.82600 1.000 H46 H 7.02700 1.13200 1.11900 1.000 H47 H 10.04200 -2.30100 1.60500 1.000 H48 H 9.11300 -4.00700 -0.22300 1.000 H49 H -1.43900 -5.20900 1.12900 1.000 H50 H -5.60300 -1.42000 -1.18000 1.000 H51 H -5.46700 -2.41000 0.29300 1.000 H52 H -3.89100 1.56800 0.20100 1.000 H53 H -4.69000 0.88200 -1.23400 1.000 H54 H 1.75700 4.85000 2.40400 1.000 H55 H 2.62700 3.52300 3.20900 1.000 H56 H 3.51900 4.95200 2.63600 1.000 H57 H -1.27500 1.98900 2.92900 1.000 H58 H -3.00800 0.42800 2.22800 1.000 H59 H -0.93100 -0.40800 -1.39100 1.000 H60 H 5.23400 2.71000 0.52700 1.000 H61 H 8.50700 -0.17100 1.57800 1.000 H62 H -3.29500 -0.36300 -1.93500 1.000 H63 H -4.47500 -2.47300 2.10800 1.000 H64 H -0.02400 -2.62100 -0.31500 1.000 H65 H -0.62400 -4.08300 -1.13200 1.000 H66 H -1.30200 -2.49100 -1.54700 1.000 H67 H -4.53600 -0.44800 1.51000 1.000 H68 H -7.77500 -1.45800 -0.05100 1.000 H69 H -7.02500 -0.93600 1.47800 1.000 H70 H -6.01700 1.60800 1.41900 1.000 H71 H -6.22900 2.44200 -0.14100 1.000 H72 H -7.48600 2.96200 -0.70200 1.000 H73 H -8.46900 2.53200 -2.12200 1.000 H74 H -9.24900 2.78200 -0.54100 1.000