# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9GD' 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 4.10600 -4.29600 0.35500 1.000 C1 C 3.48000 -5.25700 1.36900 1.000 N2 N 2.02300 -5.28200 1.18700 1.000 C3 C 1.43600 -3.95700 1.42500 1.000 C4 C 2.00100 -2.95800 0.41300 1.000 C5 C 3.52300 -2.89500 0.56000 1.000 C6 C 4.10000 -1.94400 -0.49000 1.000 N7 N 3.67700 -0.57300 -0.19200 1.000 C8 C 4.10900 0.07300 1.04900 1.000 C9 C 5.46900 0.69100 0.84700 1.000 C10 C 5.57000 1.99400 0.40300 1.000 C11 C 6.82100 2.56900 0.21300 1.000 N12 N 6.92600 3.87900 -0.23300 1.000 C13 C 7.97800 1.81800 0.47700 1.000 C14 C 9.31000 2.41600 0.28100 1.000 O15 O 9.41200 3.59500 0.00700 1.000 O16 O 10.41500 1.65500 0.40600 1.000 C17 C 7.85700 0.50000 0.92700 1.000 C18 C 6.60900 -0.05100 1.11300 1.000 S19 S 2.71000 0.24500 -1.25800 1.000 O20 O 2.94800 1.62800 -1.03700 1.000 O21 O 2.88500 -0.38100 -2.52200 1.000 C22 C 1.03900 -0.05400 -0.78300 1.000 C23 C 0.32800 -1.08400 -1.37000 1.000 C24 C -0.98200 -1.31900 -0.99700 1.000 C25 C 0.44200 0.73800 0.18000 1.000 C26 C -0.86800 0.50300 0.55300 1.000 C27 C -1.58100 -0.52400 -0.03700 1.000 S28 S -3.25100 -0.82300 0.43800 1.000 O29 O -3.48300 -2.21100 0.23900 1.000 O30 O -3.43400 -0.17600 1.68900 1.000 N31 N -4.21900 -0.02800 -0.64600 1.000 C32 C -4.71800 -0.72700 -1.83300 1.000 C33 C -4.32200 0.04700 -3.10700 1.000 C34 C -5.54300 -0.11800 -4.04600 1.000 C35 C -6.74000 -0.03000 -3.06800 1.000 C36 C -6.25500 -0.77500 -1.80800 1.000 C37 C -4.57600 1.37500 -0.41800 1.000 C38 C -5.90700 1.44600 0.28400 1.000 C39 C -7.06000 1.67400 -0.44400 1.000 C40 C -8.28200 1.74000 0.19800 1.000 C41 C -8.35100 1.57800 1.57100 1.000 Cl42 Cl -9.88600 1.66000 2.37900 1.000 C43 C -7.19700 1.35000 2.29900 1.000 C44 C -5.97700 1.27900 1.65400 1.000 H45 H 5.18600 -4.26600 0.50100 1.000 H46 H 3.88400 -4.63900 -0.65500 1.000 H47 H 3.88300 -6.25800 1.21700 1.000 H48 H 3.71400 -4.92100 2.38000 1.000 H49 H 1.77900 -5.62600 0.27100 1.000 H50 H 0.35300 -4.01500 1.31300 1.000 H51 H 1.68000 -3.62800 2.43500 1.000 H52 H 1.74600 -3.27900 -0.59700 1.000 H53 H 1.57600 -1.97200 0.59900 1.000 H54 H 3.77900 -2.53600 1.55700 1.000 H55 H 5.18800 -2.00000 -0.47300 1.000 H56 H 3.73700 -2.22900 -1.47800 1.000 H57 H 3.39500 0.85000 1.32300 1.000 H58 H 4.16200 -0.66900 1.84600 1.000 H59 H 4.67700 2.56600 0.20100 1.000 H60 H 6.13300 4.35900 -0.51900 1.000 H61 H 7.79200 4.31500 -0.26000 1.000 H62 H 11.26700 2.09100 0.26900 1.000 H63 H 8.74200 -0.08400 1.13200 1.000 H64 H 6.51700 -1.06900 1.46100 1.000 H65 H 0.79500 -1.70500 -2.11900 1.000 H66 H -1.53800 -2.12300 -1.45500 1.000 H67 H 1.00000 1.53900 0.64200 1.000 H68 H -1.33400 1.12100 1.30600 1.000 H69 H -4.31300 -1.73800 -1.86800 1.000 H70 H -4.15600 1.10000 -2.87800 1.000 H71 H -3.43000 -0.39000 -3.55700 1.000 H72 H -5.58000 0.69000 -4.77700 1.000 H73 H -5.52000 -1.08800 -4.54300 1.000 H74 H -6.96500 1.01100 -2.83300 1.000 H75 H -7.61500 -0.52400 -3.49100 1.000 H76 H -6.59700 -1.81100 -1.83200 1.000 H77 H -6.63000 -0.27900 -0.91300 1.000 H78 H -3.81300 1.84800 0.20100 1.000 H79 H -4.64000 1.89300 -1.37400 1.000 H80 H -7.00600 1.80000 -1.51600 1.000 H81 H -9.18300 1.91800 -0.37000 1.000 H82 H -7.25000 1.22500 3.37000 1.000 H83 H -5.07600 1.09700 2.22200 1.000