16212552
  -OEChem-05042421202D

 13 12  0     0  0  0  0  0  0999 V2000
    1.4820    0.0000    0.0000 Al  0  0  0  0  0 15  0  0  0  0  0  0
    2.5981    2.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    3.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    3.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    3.4641    4.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    4.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.5981    5.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    4.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    6.0000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    5.5000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16212552

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
147

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQOAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/Al.B12/c;1-2-4-6-8-10-12-11-9-7-5-3-1

> <PUBCHEM_IUPAC_INCHIKEY>
PZUHMJWVSIAWPE-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
157.100464

> <PUBCHEM_MOLECULAR_FORMULA>
AlB12

> <PUBCHEM_MOLECULAR_WEIGHT>
156.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
B1=BB=BB=BB=BB=BB=B1.[Al]

> <PUBCHEM_OPENEYE_ISO_SMILES>
B1=BB=BB=BB=BB=BB=B1.[Al]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
159.093200

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$