PC-Compounds ::= {
  {
    id {
      id cid 70309
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
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      },
      element {
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
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      }
    },
    bonds {
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        2,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        7,
        9,
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      },
      order {
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        double,
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        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single
      }
    },
    coords {
      {
        type {
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        },
        aid {
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          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16
        },
        conformers {
          {
            x {
              { -13611, 10, -4 },
              { -1361, 10, -3 },
              { -30595, 10, -4 },
              { 4116, 10, -4 },
              { 4116, 10, -4 },
              { -9649, 10, -4 },
              { -9648, 10, -4 },
              { -1856, 10, -3 },
              { 15873, 10, -4 },
              { 15874, 10, -4 },
              { 27847, 10, -4 },
              { 27848, 10, -4 },
              { 15925, 10, -4 },
              { 15926, 10, -4 },
              { 37323, 10, -4 },
              { 37325, 10, -4 }
            },
            y {
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              { 23679, 10, -4 },
              { 0, 10, 0 },
              { -7026, 10, -4 },
              { 7026, 10, -4 },
              { -12293, 10, -4 },
              { 12294, 10, -4 },
              { 0, 10, 0 },
              { -14262, 10, -4 },
              { 14261, 10, -4 },
              { -7049, 10, -4 },
              { 7049, 10, -4 },
              { -25101, 10, -4 },
              { 251, 10, -2 },
              { -12375, 10, -4 },
              { 12374, 10, -4 }
            },
            z {
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              { -1, 10, -3 },
              { 4, 10, -4 },
              { -3, 10, -4 },
              { 2, 10, -4 },
              { -2, 10, -4 },
              { 1, 10, -4 },
              { 0, 10, 0 },
              { -8, 10, -4 },
              { 7, 10, -4 },
              { -3, 10, -4 },
              { 6, 10, -4 },
              { -12, 10, -4 },
              { 13, 10, -4 },
              { -5, 10, -4 },
              { 11, 10, -4 }
            },
            data {
              {
                urn {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "000112A500000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "2.1.0",
                  software "Szybki TK",
                  source "OpenEye Scientific Software",
                  release "2019.06.18"
                },
                value fval { 34871, 10, -3 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2019.06.18"
                },
                value fval { 25461, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
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                  version "2.1",
                  software "PubChem",
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                  "23559900 14 18127700323584831462",
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                }
              },
              {
                urn {
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                  datatype doublevec,
                  version "2.0.4",
                  software "Shape TK",
                  source "OpenEye Scientific Software",
                  release "2019.06.18"
                },
                value fvec {
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                  { 0, 10, 0 },
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                  { 0, 10, 0 },
                  { 0, 10, 0 }
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              },
              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2019.06.18"
                },
                value fval { 509884, 10, -3 }
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              {
                urn {
                  label "Shape",
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                  software "Shape TK",
                  source "OpenEye Scientific Software",
                  release "2019.06.18"
                },
                value fval { 1232, 10, -1 }
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            }
          }
        },
        data {
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            urn {
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            value fval { 4, 10, -1 }
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          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2010.05.05"
            },
            value ivec {
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          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "2.3.0",
          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
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          "12 -0.15",
          "13 0.15",
          "14 0.15",
          "15 0.15",
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          "3 -0.57",
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          "5 0.09",
          "6 0.48",
          "7 0.48",
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      },
      {
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          label "Count",
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2019.06.18"
        },
        value fval { 0, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "Shape TK",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
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          "1 2 acceptor",
          "1 3 acceptor",
          "5 4 5 6 7 8 rings",
          "6 4 5 9 10 11 12 rings"
        }
      }
    },
    count {
      heavy-atom 12,
      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
    }
  }
}