PC-Compounds ::= {
  {
    id {
      id cid 14817
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14
      },
      element {
        s,
        s,
        s,
        s,
        s,
        s,
        s,
        s,
        s,
        s,
        p,
        p,
        p,
        p
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        9,
        10
      },
      aid2 {
        11,
        12,
        11,
        13,
        11,
        14,
        12,
        14,
        12,
        13,
        13,
        14,
        11,
        12,
        13,
        14
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        double
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14
        },
        conformers {
          {
            x {
              { 45092, 10, -4 },
              { 28368, 10, -4 },
              { 29819, 10, -4 },
              { 38876, 10, -4 },
              { 3673, 10, -3 },
              { 2, 10, 0 },
              { 3673, 10, -3 },
              { 52163, 10, -4 },
              { 21297, 10, -4 },
              { 29818, 10, -4 },
              { 3673, 10, -3 },
              { 45092, 10, -4 },
              { 28368, 10, -4 },
              { 29819, 10, -4 }
            },
            y {
              { 4589, 10, -4 },
              { 4589, 10, -4 },
              { 1036, 10, -4 },
              { -14185, 10, -4 },
              { -8094, 10, -4 },
              { -9894, 10, -4 },
              { 19417, 10, -4 },
              { -12137, 10, -4 },
              { 2005, 10, -4 },
              { -19417, 10, -4 },
              { 9417, 10, -4 },
              { -5066, 10, -4 },
              { -5066, 10, -4 },
              { -9417, 10, -4 }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.10.14"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 327, 10, 0 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 10
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 0
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value ival 0
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value binary '0000037100000003F800000000000000000000000000000000002448
912000000000000000000000000000000000000000000000000000000000000000000000000000
000000000000000000000000000000000000000000000000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "1,3,5,7-tetrathioxo-2,4,6,8,9,10-hexathia-1lambda5,3lambda
5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1lam
bda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1&la
mbda;<SUP>5</SUP>,3&lambda;<SUP>5</SUP>,5&lambda;<SUP>5</SUP>,7&lambda;<SUP>5<
/SUP>-tetraphosphatricyclo[3.3.1.1<SUP>3,7</SUP>]decane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1lam
bda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "1,3,5,7-tetrakis(sulfanylidene)-2,4,6,8,9,10-hexathia-1lam
bda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.7.0",
          software "Lexichem TK",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "1,3,5,7-tetrathioxo-2,4,6,8,9,10-hexathia-1lambda5,3lambda
5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "InChI=1S/P4S10/c5-1-9-2(6)12-3(7,10-1)14-4(8,11-1)13-2"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.10.14"
        },
        value sval "CYQAYERJWZKYML-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Log P",
          name "XLogP3-AA",
          datatype double,
          version "3.0",
          source "sioc-ccbg.ac.cn",
          release "2021.10.14"
        },
        value fval { 69, 10, -1 }
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "443.6157597"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "P4S10"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "444.6"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "P12(=S)SP3(=S)SP(=S)(S1)SP(=S)(S2)S3"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.10.14"
        },
        value sval "P12(=S)SP3(=S)SP(=S)(S1)SP(=S)(S2)S3"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.10.14"
        },
        value fval { 28, 10, 1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.2",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.10.14"
        },
        value sval "443.6157597"
      }
    },
    count {
      heavy-atom 14,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers -1
    }
  }
}