PC-Compounds ::= {
  {
    id {
      id cid 6792062
    },
    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
      },
      element {
        cu,
        cl,
        cl,
        o,
        n,
        n,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 4,
          value 1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        14,
        15,
        15,
        15,
        16,
        16,
        16
      },
      aid2 {
        2,
        3,
        4,
        5,
        12,
        17,
        11,
        14,
        13,
        14,
        12,
        19,
        20,
        9,
        13,
        10,
        21,
        15,
        16,
        12,
        13,
        18,
        22,
        23,
        24,
        25,
        26,
        27
      },
      order {
        single,
        single,
        complex,
        complex,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      planar {
        left 8,
        ltop -1,
        lbottom 9,
        right 13,
        rtop 6,
        rbottom 11,
        parity any,
        type planar
      }
    },
    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
        },
        conformers {
          {
            x {
              { 64756, 10, -4 },
              { 72846, 10, -4 },
              { 61666, 10, -4 },
              { 70634, 10, -4 },
              { 55246, 10, -4 },
              { 39947, 10, -4 },
              { 67846, 10, -4 },
              { 42677, 10, -4 },
              { 32892, 10, -4 },
              { 29785, 10, -4 },
              { 55246, 10, -4 },
              { 64756, 10, -4 },
              { 45783, 10, -4 },
              { 45783, 10, -4 },
              { 2, 10, 0 },
              { 36464, 10, -4 },
              { 76834, 10, -4 },
              { 43857, 10, -4 },
              { 73911, 10, -4 },
              { 63698, 10, -4 },
              { 28751, 10, -4 },
              { 21279, 10, -4 },
              { 13933, 10, -4 },
              { 18721, 10, -4 },
              { 41078, 10, -4 },
              { 40604, 10, -4 },
              { 31849, 10, -4 }
            },
            y {
              { -17571, 10, -4 },
              { -23449, 10, -4 },
              { -27082, 10, -4 },
              { -9481, 10, -4 },
              { -14481, 10, -4 },
              { -9481, 10, -4 },
              { 812, 10, -3 },
              { 8071, 10, -4 },
              { 10134, 10, -4 },
              { 19639, 10, -4 },
              { -4481, 10, -4 },
              { -1391, 10, -4 },
              { -1434, 10, -4 },
              { -17528, 10, -4 },
              { 21701, 10, -4 },
              { 27082, 10, -4 },
              { -9481, 10, -4 },
              { -23422, 10, -4 },
              { 9409, 10, -4 },
              { 12727, 10, -4 },
              { 5519, 10, -4 },
              { 27768, 10, -4 },
              { 2298, 10, -3 },
              { 15634, 10, -4 },
              { 22941, 10, -4 },
              { 31696, 10, -4 },
              { 31223, 10, -4 }
            },
            style {
              annotation {
                crossed
              },
              aid1 {
                8
              },
              aid2 {
                13
              }
            }
          }
        }
      }
    },
    charge 1,
    props {
      {
        urn {
          label "Compound",
          name "Canonicalized",
          datatype uint,
          release "2011.04.04"
        },
        value ival 1
      },
      {
        urn {
          label "Compound Complexity",
          datatype double,
          implementation "E_COMPLEXITY",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 329, 10, 0 }
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Acceptor",
          datatype uint,
          implementation "E_NHACCEPTORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 3
      },
      {
        urn {
          label "Count",
          name "Hydrogen Bond Donor",
          datatype uint,
          implementation "E_NHDONORS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 3
      },
      {
        urn {
          label "Count",
          name "Rotatable Bond",
          datatype uint,
          implementation "E_NROTBONDS",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value ival 2
      },
      {
        urn {
          label "Fingerprint",
          name "SubStructure Keys",
          datatype fingerprint,
          parameters "extended 2",
          implementation "E_SCREEN",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value binary '00000371C063A0000600000400000000000000000001020000000000
00000000100000000000001E001808000008080180040300024202002801033134000000010000
000020012800000000080040000000000000000000000000000000000000000000000000000000
000000000000000000'H
      },
      {
        urn {
          label "IUPAC Name",
          name "Allowed",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[amino-[5-(dimethylaminohydrazono)imidazol-4-yl]methylene]
oxonium;dichlorocopper"
      },
      {
        urn {
          label "IUPAC Name",
          name "CAS-like Style",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[amino-[5-(dimethylaminohydrazinylidene)-4-imidazolyl]meth
ylidene]oxonium;dichlorocopper"
      },
      {
        urn {
          label "IUPAC Name",
          name "Markup",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[amino-[5-(dimethylaminohydrazinylidene)imidazol-4-yl]meth
ylidene]oxidanium;dichlorocopper"
      },
      {
        urn {
          label "IUPAC Name",
          name "Preferred",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[amino-[5-(dimethylaminohydrazinylidene)imidazol-4-yl]meth
ylidene]oxidanium;dichlorocopper"
      },
      {
        urn {
          label "IUPAC Name",
          name "Systematic",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[azanyl-[5-(dimethylaminohydrazinylidene)imidazol-4-yl]met
hylidene]oxidanium;bis(chloranyl)copper"
      },
      {
        urn {
          label "IUPAC Name",
          name "Traditional",
          datatype string,
          version "2.6.6",
          software "LexiChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "[amino-[5-(dimethylaminohydrazono)imidazol-4-yl]methylene]
oxonium;dichlorocopper"
      },
      {
        urn {
          label "InChI",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "InChI=1S/C6H10N6O.2ClH.Cu/c1-12(2)11-10-6-4(5(7)13)8-3-9-6
;;;/h3,11H,1-2H3,(H2,7,13);2*1H;/q;;;+2/p-1"
      },
      {
        urn {
          label "InChIKey",
          name "Standard",
          datatype string,
          version "1.0.5",
          software "InChI",
          source "iupac.org",
          release "2019.06.18"
        },
        value sval "KMSFWRWTRKCAAV-UHFFFAOYSA-M"
      },
      {
        urn {
          label "Mass",
          name "Exact",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "315.966737"
      },
      {
        urn {
          label "Molecular Formula",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value sval "C6H11Cl2CuN6O+"
      },
      {
        urn {
          label "Molecular Weight",
          datatype string,
          version "2.1",
          software "PubChem",
          source "ncbi.nlm.nih.gov",
          release "2021.05.07"
        },
        value sval "317.64"
      },
      {
        urn {
          label "SMILES",
          name "Canonical",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CN(C)NN=C1C(=NC=N1)C(=[OH+])N.Cl[Cu]Cl"
      },
      {
        urn {
          label "SMILES",
          name "Isomeric",
          datatype string,
          version "2.1.5",
          software "OEChem",
          source "openeye.com",
          release "2019.06.18"
        },
        value sval "CN(C)NN=C1C(=NC=N1)C(=[OH+])N.Cl[Cu]Cl"
      },
      {
        urn {
          label "Topological",
          name "Polar Surface Area",
          datatype double,
          implementation "E_TPSA",
          version "3.4.6.11",
          software "Cactvs",
          source "xemistry.com",
          release "2019.06.18"
        },
        value fval { 794, 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 "315.966737"
      }
    },
    count {
      heavy-atom 16,
      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 2,
      tautomers -1
    }
  }
}