data_comp_carborone_4303287_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   Ni3   Ni3   Ni    10.7719   1.64768   12.0966   
LIG   C1A   C1A   C     11.9337   2.51318   13.663   
LIG   C2A   C2A   C     10.4215   2.15551   14.1077   
LIG   B4A   B4A   B     12.6573   1.13891   12.8533   
LIG   B5A   B5A   B     13.027   1.5829   14.5486   
LIG   B6A   B6A   B     11.6057   2.24802   15.3382   
LIG   B7A   B7A   B     9.92985   0.566435   13.697   
LIG   B10A   B10A   B     12.0594   0.557708   15.6375   
LIG   B11A   B11A   B     10.3577   1.01378   15.3723   
LIG   C1B   C1B   C     8.99891   2.28064   11.0924   
LIG   C2B   C2B   C     10.241   3.30718   10.937   
LIG   B4B   B4B   B     9.52921   0.659341   10.7291   
LIG   B5B   B5B   B     8.57303   1.65379   9.58322   
LIG   B6B   B6B   B     9.0215   3.3539   9.73618   
LIG   B7B   B7B   B     11.7029   2.55721   10.4454   
LIG   B8B   B8B   B     11.3054   0.793196   10.2302   
LIG   B9B   B9B   B     9.99773   0.74822   9.01478   
LIG   B10B   B10B   B     9.6837   2.39127   8.40456   
LIG   B11B   B11B   B     10.7205   3.51367   9.3157   
LIG   B12B   B12B   B     11.3452   1.92096   8.83964   
LIG   B8A   B8A   B     11.3844   -0.198433   12.9127   
LIG   B9A   B9A   B     12.6932   -0.112105   14.1169   
LIG   B12A   B12A   B     11.0118   -0.468963   14.6392   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Ni3   C1A   SINGLE      
LIG   Ni3   C2A   SINGLE      
LIG   Ni3   B4A   SINGLE      
LIG   Ni3   B7A   SINGLE      
LIG   Ni3   C1B   SINGLE      
LIG   Ni3   C2B   SINGLE      
LIG   Ni3   B4B   SINGLE      
LIG   Ni3   B7B   SINGLE      
LIG   Ni3   B8B   SINGLE      
LIG   Ni3   B8A   SINGLE      
LIG   C1A   C2A   SINGLE      
LIG   C1A   B4A   SINGLE      
LIG   C1A   B5A   SINGLE      
LIG   C1A   B6A   SINGLE      
LIG   C2A   B6A   SINGLE      
LIG   C2A   B7A   SINGLE      
LIG   C2A   B11A   SINGLE      
LIG   B4A   B5A   SINGLE      
LIG   B4A   B8A   SINGLE      
LIG   B4A   B9A   SINGLE      
LIG   B5A   B6A   SINGLE      
LIG   B5A   B10A   SINGLE      
LIG   B5A   B9A   SINGLE      
LIG   B6A   B10A   SINGLE      
LIG   B6A   B11A   SINGLE      
LIG   B7A   B11A   SINGLE      
LIG   B7A   B8A   SINGLE      
LIG   B7A   B12A   SINGLE      
LIG   B10A   B11A   SINGLE      
LIG   B10A   B9A   SINGLE      
LIG   B10A   B12A   SINGLE      
LIG   B11A   B12A   SINGLE      
LIG   C1B   C2B   SINGLE      
LIG   C1B   B4B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   C1B   B6B   SINGLE      
LIG   C2B   B6B   SINGLE      
LIG   C2B   B7B   SINGLE      
LIG   C2B   B11B   SINGLE      
LIG   B4B   B5B   SINGLE      
LIG   B4B   B8B   SINGLE      
LIG   B4B   B9B   SINGLE      
LIG   B5B   B6B   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   B5B   B10B   SINGLE      
LIG   B6B   B10B   SINGLE      
LIG   B6B   B11B   SINGLE      
LIG   B7B   B8B   SINGLE      
LIG   B7B   B11B   SINGLE      
LIG   B7B   B12B   SINGLE      
LIG   B8B   B9B   SINGLE      
LIG   B8B   B12B   SINGLE      
LIG   B9B   B10B   SINGLE      
LIG   B9B   B12B   SINGLE      
LIG   B10B   B11B   SINGLE      
LIG   B10B   B12B   SINGLE      
LIG   B11B   B12B   SINGLE      
LIG   B8A   B9A   SINGLE      
LIG   B8A   B12A   SINGLE      
LIG   B9A   B12A   SINGLE      
