59779509
  -OEChem-04242420012D

 10  9  0     0  0  0  0  0  0999 V2000
    5.4641   -0.2500    0.0000 Ca  0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    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
    7.1962   -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  0  0  0  0  0  0  0  0  0  0  0
    8.0622    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
    8.9282   -0.2500    0.0000 Ca  0  0  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
    9.7942    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
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  RAD  2   9   2  10   2
M  END
> <PUBCHEM_COMPOUND_CID>
59779509

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
40

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAAAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/10Ca

> <PUBCHEM_IUPAC_INCHIKEY>
FCAJVZTXFQOOQS-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
399.625908

> <PUBCHEM_MOLECULAR_FORMULA>
Ca10

> <PUBCHEM_MOLECULAR_WEIGHT>
400.8

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

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

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
399.625908

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <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

$$$$