PC-Compound ::= {
  id {
    id cid 6794
  },
  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
    },
    element {
      br,
      br,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    },
    charge {
      {
        aid 1,
        value -1
      },
      {
        aid 2,
        value -1
      },
      {
        aid 3,
        value 1
      },
      {
        aid 4,
        value 1
      }
    }
  },
  bonds {
    aid1 {
      3,
      3,
      3,
      4,
      4,
      4,
      5,
      5,
      5,
      6,
      6,
      7,
      7,
      8,
      9,
      9,
      10,
      10,
      11,
      11,
      12,
      12,
      13,
      13,
      14,
      14,
      15,
      16
    },
    aid2 {
      5,
      7,
      9,
      6,
      8,
      10,
      6,
      17,
      18,
      19,
      20,
      8,
      11,
      12,
      13,
      21,
      14,
      22,
      16,
      23,
      15,
      24,
      16,
      25,
      15,
      26,
      28,
      27
    },
    order {
      single,
      single,
      double,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      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
      },
      conformers {
        {
          x {
            { 0, 10, 0 },
            { 50705, 10, -4 },
            { 66328, 10, -4 },
            { 49008, 10, -4 },
            { 66328, 10, -4 },
            { 57668, 10, -4 },
            { 57668, 10, -4 },
            { 49008, 10, -4 },
            { 75428, 10, -4 },
            { 40068, 10, -4 },
            { 57508, 10, -4 },
            { 40068, 10, -4 },
            { 75509, 10, -4 },
            { 31008, 10, -4 },
            { 31008, 10, -4 },
            { 66488, 10, -4 },
            { 68449, 10, -4 },
            { 72434, 10, -4 },
            { 53683, 10, -4 },
            { 61654, 10, -4 },
            { 80762, 10, -4 },
            { 4014, 10, -3 },
            { 52103, 10, -4 },
            { 4014, 10, -3 },
            { 8089, 10, -3 },
            { 2565, 10, -3 },
            { 66464, 10, -4 },
            { 2565, 10, -3 }
          },
          y {
            { 3448, 10, -3 },
            { 0, 10, 0 },
            { 47197, 10, -4 },
            { 37197, 10, -4 },
            { 37197, 10, -4 },
            { 32197, 10, -4 },
            { 52197, 10, -4 },
            { 47197, 10, -4 },
            { 52265, 10, -4 },
            { 3185, 10, -3 },
            { 62612, 10, -4 },
            { 52543, 10, -4 },
            { 62681, 10, -4 },
            { 36988, 10, -4 },
            { 47405, 10, -4 },
            { 67889, 10, -4 },
            { 31371, 10, -4 },
            { 38273, 10, -4 },
            { 27447, 10, -4 },
            { 27447, 10, -4 },
            { 49103, 10, -4 },
            { 2565, 10, -3 },
            { 6565, 10, -3 },
            { 58743, 10, -4 },
            { 6576, 10, -3 },
            { 33868, 10, -4 },
            { 74089, 10, -4 },
            { 50526, 10, -4 }
          },
          style {
            annotation {
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic
            },
            aid1 {
              3,
              3,
              4,
              4,
              7,
              8,
              9,
              10,
              11,
              12,
              13,
              14
            },
            aid2 {
              7,
              9,
              8,
              10,
              11,
              12,
              13,
              14,
              16,
              15,
              16,
              15
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2010.07.16"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 183, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 2
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 0
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value ival 0
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value binary '00000371C07300000018000000000000000000000000000000002C58B0
000000000000B1E000001C00000000000808C116043C80930C1000A00134674400828020310220
08D8203864980860E2C09191942008608000C8C807108080000000000000000000000000000000
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "6,7-dihydrodipyrido[1,2-b:1',2
'-e]pyrazine-5,8-diium;dibromide"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "6,7-dihydrodipyrido[1,2-b:1',2
'-e]pyrazine-5,8-diium;dibromide"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "6,7-dihydrodipyrido[1,2-b:1',2
'-e]pyrazine-5,8-diium;dibromide"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "6,7-dihydrodipyrido[1,2-b:1',2
'-e]pyrazine-5,8-diium;dibromide"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.2.0",
        software "LexiChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "6,7-dihydrodipyrido[1,2-b:1',2
'-e]pyrazine-5,8-diium;dibromide"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "InChI=1S/C12H12N2.2BrH/c1-3-7-13-9-10-14-8-4-2-6-12(14)11(13
)5-1;;/h1-8H,9-10H2;2*1H/q+2;;/p-2"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "iupac.org",
        release "2012.11.26"
      },
      value sval "ODPOAESBSUKMHD-UHFFFAOYSA-L"
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 343934676, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value sval "C12H12Br2N2"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 34404508, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.9.0",
        software "OEChem",
        source "openeye.com",
        release "2012.11.26"
      },
      value sval "C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.408",
        software "Cactvs",
        source "xemistry.com",
        release "2012.11.26"
      },
      value fval { 78, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 341936723, 10, -6 }
    }
  },
  count {
    heavy-atom 16,
    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 3,
    tautomers 1
  }
}