data_comp_carborone_4077150_1
_chem_comp.pdbx_type        HETAIN
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.orig_atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.model_Cartn_x
_chem_comp_atom.model_Cartn_y
_chem_comp_atom.model_Cartn_z
LIG   Os1   Os1   Os    1.88655   2.85817   1.70796   
LIG   C8   C2   C     3.24993   1.21124   1.84321   
LIG   C7   C3   C     3.26927   4.41353   1.31988   
LIG   C6   C4   C     3.90809   2.10022   2.86812   
LIG   B14   B5   B     3.46664   1.79371   0.370408   
LIG   B13   B6   B     3.47825   3.48687   0.0672852   
LIG   B12   B7   B     3.83672   3.83247   2.77093   
LIG   B11   B8   B     4.84115   1.40784   1.47416   
LIG   B10   B9   B     4.86685   4.14268   1.23492   
LIG   B9   B10   B     5.26103   2.9266   2.19119   
LIG   B8   B11   B     5.02851   2.68412   0.434295   
LIG   C5   C2'   C     0.471726   3.71028   0.480511   
LIG   C4   C3'   C     0.658323   2.28935   3.29562   
LIG   C3   C4'   C     0.109113   4.51683   1.63795   
LIG   B7   B5'   B     0.121141   2.10124   0.551195   
LIG   B6   B6'   B     0.147623   1.31942   2.08584   
LIG   B5   B7'   B     0.249159   3.87054   3.17668   
LIG   B4   B8'   B     -0.977408   3.53393   0.610324   
LIG   B3   B9'   B     -0.948792   2.42427   3.12502   
LIG   B2   B10'   B     -1.30654   3.84558   2.18167   
LIG   B1   B11'   B     -1.41319   2.17445   1.48163   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Os1   C8   SINGLE      
LIG   Os1   C7   SINGLE      
LIG   Os1   C6   SINGLE      
LIG   Os1   B14   SINGLE      
LIG   Os1   B13   SINGLE      
LIG   Os1   B12   SINGLE      
LIG   Os1   C5   SINGLE      
LIG   Os1   C4   SINGLE      
LIG   Os1   C3   SINGLE      
LIG   Os1   B7   SINGLE      
LIG   Os1   B6   SINGLE      
LIG   Os1   B5   SINGLE      
LIG   C8   C6   SINGLE      
LIG   C8   B14   SINGLE      
LIG   C8   B11   SINGLE      
LIG   C7   B13   SINGLE      
LIG   C7   B12   SINGLE      
LIG   C7   B10   SINGLE      
LIG   C6   B12   SINGLE      
LIG   C6   B11   SINGLE      
LIG   C6   B9   SINGLE      
LIG   B14   B13   SINGLE      
LIG   B14   B11   SINGLE      
LIG   B14   B8   SINGLE      
LIG   B13   B10   SINGLE      
LIG   B13   B8   SINGLE      
LIG   B12   B10   SINGLE      
LIG   B12   B9   SINGLE      
LIG   B11   B9   SINGLE      
LIG   B11   B8   SINGLE      
LIG   B10   B9   SINGLE      
LIG   B10   B8   SINGLE      
LIG   B9   B8   SINGLE      
LIG   C5   C3   SINGLE      
LIG   C5   B7   SINGLE      
LIG   C5   B4   SINGLE      
LIG   C4   B6   SINGLE      
LIG   C4   B5   SINGLE      
LIG   C4   B3   SINGLE      
LIG   C3   B5   SINGLE      
LIG   C3   B4   SINGLE      
LIG   C3   B2   SINGLE      
LIG   B7   B6   SINGLE      
LIG   B7   B4   SINGLE      
LIG   B7   B1   SINGLE      
LIG   B6   B3   SINGLE      
LIG   B6   B1   SINGLE      
LIG   B5   B3   SINGLE      
LIG   B5   B2   SINGLE      
LIG   B4   B2   SINGLE      
LIG   B4   B1   SINGLE      
LIG   B3   B2   SINGLE      
LIG   B3   B1   SINGLE      
LIG   B2   B1   SINGLE      
