57605804
  -OEChem-05072407292D

  3  2  0     0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 Ca  0  4  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 Ca  0  4  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
M  RAD  2   2   2   3   2
M  END
> <PUBCHEM_COMPOUND_CID>
57605804

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/3Ca

> <PUBCHEM_IUPAC_INCHIKEY>
HUGKFZUKOLGVHG-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
119.8877725

> <PUBCHEM_MOLECULAR_FORMULA>
Ca3

> <PUBCHEM_MOLECULAR_WEIGHT>
120.23

> <PUBCHEM_OPENEYE_CAN_SMILES>
[Ca][Ca][Ca]

> <PUBCHEM_OPENEYE_ISO_SMILES>
[Ca][Ca][Ca]

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
119.8877725

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$