# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '9LG' 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 -1.54400 1.94300 0.55800 1.000 C1 C 5.04300 -0.65100 -0.74400 1.000 C2 C 0.65300 2.24000 0.80000 1.000 C3 C -0.59000 2.83400 1.00700 1.000 C4 C -2.99600 2.14500 0.57800 1.000 C5 C -1.51600 -0.35700 -0.49600 1.000 C6 C 3.03600 1.67600 1.14700 1.000 C7 C 2.01000 2.81500 1.12100 1.000 C8 C 5.10200 -1.78700 -1.52800 1.000 C9 C -1.88800 -1.31500 0.60600 1.000 C10 C 6.65200 -1.60500 0.75500 1.000 C11 C -1.02700 -2.34000 0.95100 1.000 C12 C -6.41100 -0.72200 0.04200 1.000 F13 F 5.76900 0.55600 1.16200 1.000 C14 C 5.82100 -0.55700 0.39800 1.000 C15 C 6.70500 -2.74300 -0.02700 1.000 C16 C 5.93200 -2.83300 -1.17000 1.000 S17 S 3.98400 0.68200 -1.20000 1.000 O18 O 4.77000 1.86300 -1.12300 1.000 O19 O 3.31100 0.27200 -2.38300 1.000 N20 N 2.82600 0.81200 -0.02400 1.000 O21 O -3.46500 3.14200 1.09600 1.000 N22 N -3.81200 1.22800 0.02300 1.000 C23 C -5.25000 1.49200 -0.07900 1.000 C24 C -5.93100 0.31700 -0.73300 1.000 C25 C -6.07500 0.27900 -2.10700 1.000 C26 C -6.70000 -0.79900 -2.70700 1.000 C27 C -7.18000 -1.83800 -1.93200 1.000 C28 C -7.03600 -1.80000 -0.55800 1.000 N29 N -0.88300 0.83100 0.08200 1.000 C30 C -3.08800 -1.16500 1.27600 1.000 C31 C -3.42900 -2.04400 2.28700 1.000 C32 C -2.57100 -3.07200 2.62800 1.000 C33 C -1.36900 -3.21800 1.96200 1.000 C34 C 0.44500 1.02000 0.23800 1.000 C35 C 1.55900 0.06600 -0.12800 1.000 H36 H -0.77300 3.80800 1.43800 1.000 H37 H -0.82000 -0.84300 -1.18000 1.000 H38 H -2.41300 -0.06200 -1.04000 1.000 H39 H 4.04300 2.09200 1.11600 1.000 H40 H 2.91100 1.09300 2.05900 1.000 H41 H 2.28900 3.54200 0.35900 1.000 H42 H 1.97800 3.30000 2.09700 1.000 H43 H 4.49800 -1.85900 -2.42100 1.000 H44 H 7.26000 -1.53300 1.64500 1.000 H45 H -0.08800 -2.45400 0.43000 1.000 H46 H -6.29400 -0.69500 1.11500 1.000 H47 H 7.35400 -3.56000 0.25100 1.000 H48 H 5.97400 -3.72200 -1.78100 1.000 H49 H -3.44800 0.39200 -0.31000 1.000 H50 H -5.66300 1.64200 0.91800 1.000 H51 H -5.41300 2.38700 -0.67900 1.000 H52 H -5.70000 1.09100 -2.71200 1.000 H53 H -6.81300 -0.82800 -3.78100 1.000 H54 H -7.66900 -2.68000 -2.40100 1.000 H55 H -7.40700 -2.61400 0.04700 1.000 H56 H -3.75800 -0.36100 1.01000 1.000 H57 H -4.36700 -1.92600 2.81100 1.000 H58 H -2.83800 -3.75800 3.41800 1.000 H59 H -0.69600 -4.01900 2.23100 1.000 H60 H 1.42200 -0.29100 -1.14900 1.000 H61 H 1.56800 -0.77700 0.56200 1.000