# CIF file generated by openbabel 2.4.1, see http://openbabel.sf.net data_I _chemical_name_common '0LG' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy O0 O -4.93100 -5.77200 -0.74300 1.000 S1 S -4.98100 -4.47000 -0.17400 1.000 O2 O -5.37300 -3.34600 -0.95000 1.000 C3 C -5.87600 -4.50000 1.40300 1.000 N4 N -3.41200 -4.14900 0.24700 1.000 C5 C -2.49100 -5.25000 0.53900 1.000 C6 C -2.96600 -2.82600 0.32400 1.000 C7 C -3.87600 -1.80100 0.56700 1.000 C8 C -3.43200 -0.48600 0.63700 1.000 C9 C -1.61500 -2.54100 0.16300 1.000 C10 C -1.16800 -1.22500 0.25300 1.000 C11 C -2.07600 -0.19300 0.49300 1.000 C12 C 0.26000 -0.86500 0.06400 1.000 O13 O 1.06100 -1.62400 -0.44500 1.000 N14 N 0.61200 0.39000 0.50500 1.000 C15 C 1.69800 1.03900 -0.27900 1.000 C16 C 3.04200 0.39500 0.06600 1.000 C17 C 4.13300 0.97800 -0.83500 1.000 N18 N 5.39600 0.26700 -0.59600 1.000 C19 C 6.46900 0.80100 -1.44600 1.000 C20 C 7.74700 0.04900 -1.17400 1.000 C21 C 8.61300 0.49100 -0.19100 1.000 C22 C 9.78200 -0.20200 0.06200 1.000 C23 C 10.72600 0.28000 1.13300 1.000 C24 C 10.89100 -0.80900 2.19500 1.000 C25 C 12.08800 0.59300 0.50900 1.000 C26 C 10.08500 -1.33700 -0.66700 1.000 C27 C 9.21900 -1.77800 -1.65000 1.000 C28 C 8.05000 -1.08600 -1.90300 1.000 O29 O 3.36100 0.66100 1.43300 1.000 C30 C 1.72400 2.52400 0.09400 1.000 O31 O 0.50900 3.14200 -0.32900 1.000 C32 C 0.01600 4.14900 0.55100 1.000 C33 C -1.42100 4.44800 0.21300 1.000 C34 C -2.37900 4.02300 0.99500 1.000 C35 C -3.82100 4.32600 0.67400 1.000 C36 C -4.66100 3.06500 0.91500 1.000 N37 N -3.77300 1.89300 0.74800 1.000 C38 C -4.36000 0.65600 0.84600 1.000 O39 O -5.54300 0.50800 1.08100 1.000 C40 C -5.78500 3.00000 -0.08600 1.000 C41 C -5.54400 2.54200 -1.36700 1.000 C42 C -6.57600 2.48300 -2.28600 1.000 C43 C -7.84800 2.88200 -1.92300 1.000 C44 C -8.08900 3.34000 -0.64100 1.000 C45 C -7.05900 3.39500 0.27900 1.000 H46 H -5.45900 -5.27700 2.04300 1.000 H47 H -5.77800 -3.53200 1.89500 1.000 H48 H -6.93000 -4.70700 1.21900 1.000 H49 H -1.99000 -5.55800 -0.37800 1.000 H50 H -1.74900 -4.92000 1.26600 1.000 H51 H -3.05000 -6.09200 0.94800 1.000 H52 H -4.92400 -2.02700 0.70100 1.000 H53 H -0.91200 -3.33800 -0.03100 1.000 H54 H -1.72900 0.82700 0.57300 1.000 H55 H 0.18600 0.81700 1.26500 1.000 H56 H 1.49900 0.92900 -1.34500 1.000 H57 H 2.98000 -0.68200 -0.09000 1.000 H58 H 3.84200 0.86200 -1.87900 1.000 H59 H 4.26300 2.03600 -0.60900 1.000 H60 H 5.65400 0.30500 0.37900 1.000 H61 H 6.19500 0.68400 -2.49400 1.000 H62 H 6.61600 1.85800 -1.22400 1.000 H63 H 8.37600 1.37700 0.37800 1.000 H64 H 10.32200 1.18000 1.59500 1.000 H65 H 11.57400 -0.46100 2.97000 1.000 H66 H 9.92100 -1.03300 2.64000 1.000 H67 H 11.29500 -1.71000 1.73300 1.000 H68 H 12.49200 -0.30700 0.04700 1.000 H69 H 11.97100 1.36900 -0.24700 1.000 H70 H 12.77100 0.94200 1.28400 1.000 H71 H 10.99800 -1.87800 -0.46900 1.000 H72 H 9.45500 -2.66500 -2.22000 1.000 H73 H 7.37100 -1.43400 -2.66800 1.000 H74 H 3.43300 1.60200 1.64400 1.000 H75 H 1.82500 2.62600 1.17500 1.000 H76 H 2.56800 3.00800 -0.39700 1.000 H77 H 0.08200 3.79600 1.58100 1.000 H78 H 0.61300 5.05400 0.43800 1.000 H79 H -1.65300 5.01400 -0.68200 1.000 H80 H -2.13700 3.44800 1.87800 1.000 H81 H -4.17700 5.13000 1.31800 1.000 H82 H -3.90800 4.62700 -0.37000 1.000 H83 H -5.06700 3.08000 1.92700 1.000 H84 H -2.82200 1.99300 0.58500 1.000 H85 H -4.55000 2.22900 -1.65100 1.000 H86 H -6.38700 2.12500 -3.28700 1.000 H87 H -8.65400 2.83700 -2.64000 1.000 H88 H -9.08300 3.65300 -0.35700 1.000 H89 H -7.24800 3.74900 1.28100 1.000