data_comp_carborone_7105659_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   C1   C1   C     -3.4981   11.1541   2.12685   
LIG   B2   B2   B     -4.91567   11.6737   1.81005   
LIG   B3   B3   B     -2.45102   11.9942   2.92143   
LIG   B5   B5   B     -4.26877   11.45   3.7023   
LIG   C6   C6   C     -5.26723   13.3469   1.93164   
LIG   B7   B7   B     -2.6179   13.7932   3.02075   
LIG   B8   B8   B     -3.1121   12.7923   4.39584   
LIG   B9   B9   B     -5.81075   12.395   3.22111   
LIG   B10   B10   B     -4.14492   14.5202   2.36146   
LIG   B11   B11   B     -4.85465   12.8983   4.59449   
LIG   B12   B12   B     -5.50312   14.0926   3.42831   
LIG   B13   B13   B     -3.8815   14.3501   4.11158   
LIG   C1'   C1'   C     -3.17717   9.73375   1.68333   
LIG   B2'   B2'   B     -4.28446   8.66413   1.83745   
LIG   B3'   B3'   B     -1.80836   9.43197   1.01548   
LIG   B5'   B5'   B     -3.61349   9.22341   0.0291115   
LIG   C6'   C6'   C     -3.89403   7.00378   1.66792   
LIG   B7'   B7'   B     -1.20214   7.732   0.851084   
LIG   B8'   B8'   B     -1.95168   8.52664   -0.541132   
LIG   B9'   B9'   B     -4.66221   7.7052   0.345914   
LIG   B10'   B10'   B     -2.33919   6.40605   1.35454   
LIG   B11'   B11'   B     -3.4483   7.7087   -0.923007   
LIG   B12'   B12'   B     -3.65508   6.29536   0.143845   
LIG   B13'   B13'   B     -2.01992   6.77308   -0.380162   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   C1   B2   SINGLE      
LIG   C1   B3   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   C1'   SINGLE      
LIG   B2   C6   SINGLE      
LIG   B2   B9   SINGLE      
LIG   B3   B7   SINGLE      
LIG   B3   B8   SINGLE      
LIG   B5   B8   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B11   SINGLE      
LIG   C6   B9   SINGLE      
LIG   C6   B10   SINGLE      
LIG   C6   B12   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B10   SINGLE      
LIG   B7   B13   SINGLE      
LIG   B8   B11   SINGLE      
LIG   B8   B13   SINGLE      
LIG   B9   B11   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B10   B13   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B11   B13   SINGLE      
LIG   B12   B13   SINGLE      
LIG   C1'   B2'   SINGLE      
LIG   C1'   B3'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   B2'   C6'   SINGLE      
LIG   B2'   B9'   SINGLE      
LIG   B3'   B7'   SINGLE      
LIG   B3'   B8'   SINGLE      
LIG   B5'   B8'   SINGLE      
LIG   B5'   B9'   SINGLE      
LIG   B5'   B11'   SINGLE      
LIG   C6'   B9'   SINGLE      
LIG   C6'   B10'   SINGLE      
LIG   C6'   B12'   SINGLE      
LIG   B7'   B8'   SINGLE      
LIG   B7'   B10'   SINGLE      
LIG   B7'   B13'   SINGLE      
LIG   B8'   B11'   SINGLE      
LIG   B8'   B13'   SINGLE      
LIG   B9'   B11'   SINGLE      
LIG   B9'   B12'   SINGLE      
LIG   B10'   B12'   SINGLE      
LIG   B10'   B13'   SINGLE      
LIG   B11'   B12'   SINGLE      
LIG   B11'   B13'   SINGLE      
LIG   B12'   B13'   SINGLE      
