PC-Compounds ::= {
  {
    id {
      id cid 24881009
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43
      },
      element {
        si,
        si,
        si,
        si,
        si,
        n,
        n,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      radical {
        {
          aid 1,
          type triplet
        },
        {
          aid 2,
          type triplet
        },
        {
          aid 3,
          type triplet
        },
        {
          aid 4,
          type triplet
        },
        {
          aid 5,
          type triplet
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        12,
        13,
        13,
        13,
        13,
        14,
        14,
        14,
        14,
        15,
        15,
        15,
        15,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        23,
        24,
        25,
        26,
        27
      },
      aid2 {
        6,
        16,
        6,
        17,
        7,
        18,
        7,
        19,
        6,
        7,
        16,
        24,
        17,
        25,
        18,
        26,
        19,
        27,
        16,
        20,
        28,
        29,
        17,
        21,
        30,
        31,
        18,
        22,
        32,
        33,
        19,
        23,
        34,
        35,
        24,
        36,
        25,
        37,
        26,
        38,
        27,
        39,
        40,
        41,
        42,
        43
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
          twod,
          computed,
          units-unknown
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43
        },
        conformers {
          {
            x {
              { 74223, 10, -4 },
              { 62633, 10, -4 },
              { 45691, 10, -4 },
              { 40339, 10, -4 },
              { 57281, 10, -4 },
              { 64712, 10, -4 },
              { 4777, 10, -3 },
              { 6961, 10, -3 },
              { 69019, 10, -4 },
              { 2809, 10, -3 },
              { 51553, 10, -4 },
              { 85437, 10, -4 },
              { 79846, 10, -4 },
              { 3309, 10, -3 },
              { 35726, 10, -4 },
              { 76302, 10, -4 },
              { 70064, 10, -4 },
              { 3618, 10, -3 },
              { 42418, 10, -4 },
              { 84392, 10, -4 },
              { 84846, 10, -4 },
              { 2309, 10, -3 },
              { 40726, 10, -4 },
              { 7461, 10, -3 },
              { 78154, 10, -4 },
              { 2, 10, 0 },
              { 50508, 10, -4 },
              { 91502, 10, -4 },
              { 87353, 10, -4 },
              { 7793, 10, -3 },
              { 8551, 10, -3 },
              { 39155, 10, -4 },
              { 32442, 10, -4 },
              { 31578, 10, -4 },
              { 3071, 10, -3 },
              { 88999, 10, -4 },
              { 91012, 10, -4 },
              { 19446, 10, -4 },
              { 38205, 10, -4 },
              { 72089, 10, -4 },
              { 79444, 10, -4 },
              { 14103, 10, -4 },
              { 55115, 10, -4 }
            },
            y {
              { -25, 10, -3 },
              { 12622, 10, -4 },
              { 902, 10, -3 },
              { -7452, 10, -4 },
              { -3851, 10, -4 },
              { 284, 10, -3 },
              { -761, 10, -4 },
              { -17463, 10, -4 },
              { 29258, 10, -4 },
              { 6233, 10, -4 },
              { -21301, 10, -4 },
              { -14099, 10, -4 },
              { 17234, 10, -4 },
              { 21621, 10, -4 },
              { -24665, 10, -4 },
              { -10032, 10, -4 },
              { 19313, 10, -4 },
              { 12111, 10, -4 },
              { -17234, 10, -4 },
              { -24044, 10, -4 },
              { 25894, 10, -4 },
              { 21621, 10, -4 },
              { -33326, 10, -4 },
              { -26123, 10, -4 },
              { 33326, 10, -4 },
              { 12111, 10, -4 },
              { -31246, 10, -4 },
              { -15388, 10, -4 },
              { -8202, 10, -4 },
              { 11337, 10, -4 },
              { 14712, 10, -4 },
              { 2291, 10, -3 },
              { 27787, 10, -4 },
              { -20058, 10, -4 },
              { -2831, 10, -3 },
              { -28193, 10, -4 },
              { 26542, 10, -4 },
              { 26637, 10, -4 },
              { -3899, 10, -3 },
              { -31787, 10, -4 },
              { 3939, 10, -3 },
              { 10195, 10, -4 },
              { -35395, 10, -4 }
            }
          }
        }
      }
    },
    charge 0,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2021.05.07"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 68, 10, 1 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value ival 6
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        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 "2021.05.07"
        },
        value ival 10
      },
      {
        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 "2021.05.07"
        },
        value binary '00000371E07B800C0000000000000000000000000001020408000000
00000000000000000000001C10010000000800C12004000002000000A000206644000000002002
000800003000080000000001000000000000000000000000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "InChI=1S/C16H16N6Si5/c1-5-13(17-9-1)23-21(24-14-6-2-10-18-
14)27-22(25-15-7-3-11-19-15)26-16-8-4-12-20-16/h1-4,9-12H,5-8H2"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.6",
          software "InChI",
          source "iupac.org",
          release "2021.05.07"
        },
        value sval "NWGOPCJHPAQDFZ-UHFFFAOYSA-N"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "432.02827721"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "C16H16N6Si5"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "432.76"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "C1C=CN=C1[Si]N([Si]C2=NC=CC2)[Si]N([Si]C3=NC=CC3)[Si]C4=NC
=CC4"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2021.05.07"
        },
        value sval "C1C=CN=C1[Si]N([Si]C2=NC=CC2)[Si]N([Si]C3=NC=CC3)[Si]C4=NC
=CC4"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.8.18",
          software "Cactvs",
          source "Xemistry GmbH",
          release "2021.05.07"
        },
        value fval { 559, 10, -1 }
      },
      {
        urn {
          label "Weight",
          name "MonoIsotopic",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "432.02827721"
      }
    },
    count {
      heavy-atom 27,
      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
    }
  }
}