data_comp_carborone_7003438_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   Ni4   Ni4   Ni    3.39362   15.6499   3.15576   
LIG   C1A   C1A   C     4.2515   14.0484   4.01928   
LIG   B2A   B2A   B     3.49578   13.4788   2.78305   
LIG   B3A   B3A   B     3.52311   14.7221   5.18017   
LIG   B5A   B5A   B     3.18226   12.7533   4.5805   
LIG   B6A   B6A   B     1.80501   14.1657   2.47861   
LIG   B7A   B7A   B     1.75725   15.3015   4.97567   
LIG   B8A   B8A   B     2.08728   13.7944   5.78905   
LIG   B9A   B9A   B     2.05031   12.5086   3.10595   
LIG   C10A   C10A   C     0.884985   14.9171   3.66409   
LIG   B11A   B11A   B     1.42296   12.4891   4.76655   
LIG   B12A   B12A   B     0.529649   13.2881   3.43038   
LIG   B13A   B13A   B     0.529378   13.9983   5.04332   
LIG   C1B   C1B   C     2.50952   17.5082   3.06289   
LIG   B2B   B2B   B     2.53329   17.0044   1.6237   
LIG   B3B   B3B   B     3.7397   17.7121   3.93317   
LIG   B5B   B5B   B     3.39737   18.7009   2.11881   
LIG   B6B   B6B   B     4.02481   16.0525   1.07478   
LIG   B7B   B7B   B     5.31693   16.8897   3.44114   
LIG   B8B   B8B   B     5.07336   18.5981   3.06136   
LIG   B9B   B9B   B     3.75753   17.7435   0.544309   
LIG   C10B   C10B   C     5.42192   16.1383   1.99119   
LIG   B11B   B11B   B     5.00269   18.754   1.30696   
LIG   B12B   B12B   B     5.38772   17.1259   0.618114   
LIG   B13B   B13B   B     6.18711   17.673   2.09575   
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.value_order
LIG   Ni4   C1A   SINGLE      
LIG   Ni4   B2A   SINGLE      
LIG   Ni4   B3A   SINGLE      
LIG   Ni4   B6A   SINGLE      
LIG   Ni4   B7A   SINGLE      
LIG   Ni4   C1B   SINGLE      
LIG   Ni4   B2B   SINGLE      
LIG   Ni4   B3B   SINGLE      
LIG   Ni4   B6B   SINGLE      
LIG   Ni4   B7B   SINGLE      
LIG   Ni4   C10B   SINGLE      
LIG   C1A   B2A   SINGLE      
LIG   C1A   B3A   SINGLE      
LIG   C1A   B5A   SINGLE      
LIG   B2A   B5A   SINGLE      
LIG   B2A   B6A   SINGLE      
LIG   B2A   B9A   SINGLE      
LIG   B3A   B7A   SINGLE      
LIG   B3A   B8A   SINGLE      
LIG   B5A   B8A   SINGLE      
LIG   B5A   B9A   SINGLE      
LIG   B5A   B11A   SINGLE      
LIG   B6A   B9A   SINGLE      
LIG   B6A   C10A   SINGLE      
LIG   B6A   B12A   SINGLE      
LIG   B7A   B8A   SINGLE      
LIG   B7A   C10A   SINGLE      
LIG   B7A   B13A   SINGLE      
LIG   B8A   B11A   SINGLE      
LIG   B8A   B13A   SINGLE      
LIG   B9A   B11A   SINGLE      
LIG   B9A   B12A   SINGLE      
LIG   C10A   B12A   SINGLE      
LIG   C10A   B13A   SINGLE      
LIG   B11A   B12A   SINGLE      
LIG   B11A   B13A   SINGLE      
LIG   B12A   B13A   SINGLE      
LIG   C1B   B2B   SINGLE      
LIG   C1B   B3B   SINGLE      
LIG   C1B   B5B   SINGLE      
LIG   B2B   B5B   SINGLE      
LIG   B2B   B6B   SINGLE      
LIG   B2B   B9B   SINGLE      
LIG   B3B   B7B   SINGLE      
LIG   B3B   B8B   SINGLE      
LIG   B5B   B8B   SINGLE      
LIG   B5B   B9B   SINGLE      
LIG   B5B   B11B   SINGLE      
LIG   B6B   B9B   SINGLE      
LIG   B6B   C10B   SINGLE      
LIG   B6B   B12B   SINGLE      
LIG   B7B   B8B   SINGLE      
LIG   B7B   C10B   SINGLE      
LIG   B7B   B13B   SINGLE      
LIG   B8B   B11B   SINGLE      
LIG   B8B   B13B   SINGLE      
LIG   B9B   B11B   SINGLE      
LIG   B9B   B12B   SINGLE      
LIG   C10B   B12B   SINGLE      
LIG   C10B   B13B   SINGLE      
LIG   B11B   B12B   SINGLE      
LIG   B11B   B13B   SINGLE      
LIG   B12B   B13B   SINGLE      
