PC-Compounds ::= {
  {
    id {
      id cid 51401877
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13
      },
      element {
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        i,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h
      },
      charge {
        {
          aid 3,
          value -1
        }
      }
    },
    bonds {
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        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
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        11,
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        12,
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        10
      },
      order {
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        single,
        single,
        triple,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13
        },
        conformers {
          {
            x {
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              { 17038, 10, -4 },
              { 27602, 10, -4 },
              { -39044, 10, -4 },
              { -13147, 10, -4 },
              { -6176, 10, -4 },
              { -617, 10, -3 },
              { 14749, 10, -4 },
              { 7777, 10, -4 },
              { 7772, 10, -4 },
              { -27439, 10, -4 },
              { -11735, 10, -4 },
              { -11726, 10, -4 }
            },
            y {
              { 31163, 10, -4 },
              { -31161, 10, -4 },
              { -4, 10, -4 },
              { -1, 10, -4 },
              { 3, 10, -4 },
              { -12078, 10, -4 },
              { 12082, 10, -4 },
              { -2, 10, -4 },
              { 12079, 10, -4 },
              { -12081, 10, -4 },
              { 0, 10, 0 },
              { -21437, 10, -4 },
              { 21442, 10, -4 }
            },
            z {
              { -1, 10, -3 },
              { 15, 10, -4 },
              { -2, 10, -4 },
              { 1, 10, -4 },
              { -1, 10, -4 },
              { -18, 10, -4 },
              { 16, 10, -4 },
              { 0, 10, 0 },
              { 16, 10, -4 },
              { -17, 10, -4 },
              { 0, 10, 0 },
              { -26, 10, -4 },
              { 24, 10, -4 }
            },
            data {
              {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2010.09.21"
                },
                value sval "0310549500000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 337119, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 20297, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value slist {
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                  "2334 1 17978511167216188544",
                  "23530152 11 18122628524277032758",
                  "23552423 10 18340766035138625023",
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                  "7364860 26 18411419513972574208",
                  "81228 2 17401481550831601344"
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              },
              {
                urn {
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                  release "2012.01.18"
                },
                value fvec {
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              },
              {
                urn {
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                  software "PubChem",
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                },
                value fval { 459465, 10, -3 }
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              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 1517, 10, -1 }
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            }
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        data {
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          {
            urn {
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              release "2010.09.21"
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            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "11 0.48",
          "12 0.15",
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          "2 -0.08",
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          "5 0.07",
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 0, 10, 0 }
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      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 4 acceptor",
          "6 5 6 7 8 9 10 rings"
        }
      }
    },
    count {
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      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
    }
  }
}