PC-Compounds ::= {
  {
    id {
      id cid 6410
    },
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        2,
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        5,
        6,
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        h,
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        h,
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      }
    },
    bonds {
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        2,
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      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
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        },
        conformers {
          {
            x {
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              { 19032, 10, -4 },
              { -3771, 10, -4 },
              { -2733, 10, -4 },
              { -16753, 10, -4 },
              { -2831, 10, -4 },
              { -1883, 10, -4 },
              { -11547, 10, -4 },
              { 6042, 10, -4 },
              { -17308, 10, -4 },
              { -17249, 10, -4 },
              { -25557, 10, -4 },
              { 6042, 10, -4 },
              { -11579, 10, -4 },
              { -2199, 10, -4 },
              { 21642, 10, -4 }
            },
            y {
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              { 0, 10, 0 },
              { -12542, 10, -4 },
              { -85, 10, -4 },
              { 12627, 10, -4 },
              { -21523, 10, -4 },
              { -13633, 10, -4 },
              { -12411, 10, -4 },
              { 8653, 10, -4 },
              { -8897, 10, -4 },
              { -8, 10, -3 },
              { 12694, 10, -4 },
              { 13635, 10, -4 },
              { 21564, 10, -4 },
              { -9141, 10, -4 }
            },
            z {
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              { 902, 10, -4 },
              { -207, 10, -4 },
              { -8874, 10, -4 },
              { 7835, 10, -4 },
              { -876, 10, -3 },
              { -2649, 10, -4 },
              { -1529, 10, -3 },
              { -15432, 10, -4 },
              { 14427, 10, -4 },
              { 14334, 10, -4 },
              { 1326, 10, -4 },
              { -15184, 10, -4 },
              { -15278, 10, -4 },
              { -2446, 10, -4 },
              { 2935, 10, -4 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000190A00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 108599, 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 { 5074, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
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                  "24536 1 16879601844506004024",
                  "29004967 10 17603871147216307921",
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                }
              },
              {
                urn {
                  label "Shape",
                  name "Multipoles",
                  datatype doublevec,
                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 25, 10, -2 },
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                  { 0, 10, 0 }
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              },
              {
                urn {
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 197386, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 757, 10, -1 }
              }
            }
          }
        },
        data {
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            urn {
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              name "RMSD",
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            },
            value fval { 4, 10, -1 }
          },
          {
            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 "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
        urn {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 1, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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        }
      }
    },
    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
    }
  }
}