57866494
  -OEChem-05122423502D

  5  4  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
M  RAD  2   4   2   5   2
M  END
> <PUBCHEM_COMPOUND_CID>
57866494

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
7.5

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/5Ca

> <PUBCHEM_IUPAC_INCHIKEY>
XTZHZAOVHPSWOM-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
199.812954

> <PUBCHEM_MOLECULAR_FORMULA>
Ca5

> <PUBCHEM_MOLECULAR_WEIGHT>
200.4

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
199.812954

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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

$$$$