data_comp_carborone_7702118_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     3.23102   0.598312   3.96539   
LIG   B4'   B4'   B     3.27341   0.195133   5.60833   
LIG   C1   C1   C     1.61076   -1.60554   6.99808   
LIG   C2   C2   C     -0.0257537   -1.69163   7.06341   
LIG   B4   B4   B     2.19747   -1.32145   8.61242   
LIG   B5   B5   B     2.28453   -2.94995   7.86246   
LIG   B6   B6   B     0.847091   -3.18239   6.85719   
LIG   B7   B7   B     -0.685354   -1.52376   8.67283   
LIG   B8   B8   B     0.769111   -1.3358   9.73062   
LIG   B9   B9   B     1.75316   -2.79069   9.53422   
LIG   B10   B10   B     0.914026   -3.90983   8.44697   
LIG   B11   B11   B     -0.564611   -3.10634   7.88146   
LIG   B12   B12   B     -0.0314834   -2.91264   9.56454   
LIG   B3'   B3'   B     1.78118   -0.0258264   4.62568   
LIG   B5'   B5'   B     4.65462   -0.130567   4.58042   
LIG   B6'   B6'   B     4.04951   -0.559572   2.95606   
LIG   B7'   B7'   B     1.69613   -1.76193   4.13212   
LIG   C8'   C8'   C     2.36161   -1.24942   5.68774   
LIG   B9'   B9'   B     4.09854   -1.36163   5.70888   
LIG   B10'   B10'   B     4.59277   -1.81933   4.07597   
LIG   B11'   B11'   B     3.11589   -2.08189   3.10357   
LIG   B12'   B12'   B     3.14087   -2.5482   4.80308   
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'   B4'   SINGLE      
LIG   C1'   B3'   SINGLE      
LIG   C1'   B5'   SINGLE      
LIG   C1'   B6'   SINGLE      
LIG   B4'   B3'   SINGLE      
LIG   B4'   B5'   SINGLE      
LIG   B4'   C8'   SINGLE      
LIG   B4'   B9'   SINGLE      
LIG   C1   C2   SINGLE      
LIG   C1   B4   SINGLE      
LIG   C1   B5   SINGLE      
LIG   C1   B6   SINGLE      
LIG   C1   C8'   SINGLE      
LIG   C2   B6   SINGLE      
LIG   C2   B7   SINGLE      
LIG   C2   B11   SINGLE      
LIG   B4   B5   SINGLE      
LIG   B4   B8   SINGLE      
LIG   B4   B9   SINGLE      
LIG   B5   B6   SINGLE      
LIG   B5   B9   SINGLE      
LIG   B5   B10   SINGLE      
LIG   B6   B10   SINGLE      
LIG   B6   B11   SINGLE      
LIG   B7   B8   SINGLE      
LIG   B7   B11   SINGLE      
LIG   B7   B12   SINGLE      
LIG   B8   B9   SINGLE      
LIG   B8   B12   SINGLE      
LIG   B9   B10   SINGLE      
LIG   B9   B12   SINGLE      
LIG   B10   B11   SINGLE      
LIG   B10   B12   SINGLE      
LIG   B11   B12   SINGLE      
LIG   B3'   B7'   SINGLE      
LIG   B3'   C8'   SINGLE      
LIG   B5'   B6'   SINGLE      
LIG   B5'   B9'   SINGLE      
LIG   B5'   B10'   SINGLE      
LIG   B6'   B10'   SINGLE      
LIG   B6'   B11'   SINGLE      
LIG   B7'   C8'   SINGLE      
LIG   B7'   B11'   SINGLE      
LIG   B7'   B12'   SINGLE      
LIG   C8'   B9'   SINGLE      
LIG   C8'   B12'   SINGLE      
LIG   B9'   B10'   SINGLE      
LIG   B9'   B12'   SINGLE      
LIG   B10'   B11'   SINGLE      
LIG   B10'   B12'   SINGLE      
LIG   B11'   B12'   SINGLE      
