PC-Compounds ::= {
  {
    id {
      id cid 6416
    },
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        2,
        3,
        4,
        5,
        6,
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      },
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        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
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      }
    },
    bonds {
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        2,
        2,
        2,
        3,
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        3,
        4,
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        4,
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        15,
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18,
          19
        },
        conformers {
          {
            x {
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              { 6339, 10, -4 },
              { 10228, 10, -4 },
              { 10984, 10, -4 },
              { 13246, 10, -4 },
              { -8946, 10, -4 },
              { -17765, 10, -4 },
              { 6423, 10, -4 },
              { 6214, 10, -4 },
              { 21117, 10, -4 },
              { 7177, 10, -4 },
              { 7451, 10, -4 },
              { 21917, 10, -4 },
              { 10632, 10, -4 },
              { 10272, 10, -4 },
              { 24154, 10, -4 },
              { -28231, 10, -4 },
              { -16573, 10, -4 },
              { -15454, 10, -4 }
            },
            y {
              { 12701, 10, -4 },
              { -455, 10, -4 },
              { -8193, 10, -4 },
              { -8061, 10, -4 },
              { 13292, 10, -4 },
              { 149, 10, -3 },
              { -10773, 10, -4 },
              { -18463, 10, -4 },
              { -3362, 10, -4 },
              { -8788, 10, -4 },
              { -1833, 10, -3 },
              { -3144, 10, -4 },
              { -8634, 10, -4 },
              { 19183, 10, -4 },
              { 1911, 10, -3 },
              { 12267, 10, -4 },
              { -7684, 10, -4 },
              { -16298, 10, -4 },
              { -17153, 10, -4 }
            },
            z {
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              { 0, 10, 0 },
              { -12658, 10, -4 },
              { 12487, 10, -4 },
              { -203, 10, -4 },
              { 15, 10, -3 },
              { 144, 10, -4 },
              { -12477, 10, -4 },
              { -21641, 10, -4 },
              { -13736, 10, -4 },
              { 1263, 10, -3 },
              { 21622, 10, -4 },
              { 12954, 10, -4 },
              { 8665, 10, -4 },
              { -9005, 10, -4 },
              { -432, 10, -4 },
              { 98, 10, -3 },
              { -9196, 10, -4 },
              { 8694, 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 "0000191000000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
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              },
              {
                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 10148, 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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                  "5084963 1 18191868035890881924",
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                }
              },
              {
                urn {
                  label "Shape",
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 14, 10, -1 },
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                  { -1, 10, -2 },
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                  { -43, 10, -2 },
                  { -1, 10, -2 }
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              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 253059, 10, -3 }
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              {
                urn {
                  label "Shape",
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                  release "2012.01.18"
                },
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        data {
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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 "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "7 0.06"
        }
      },
      {
        urn {
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          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
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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 {
          "2",
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          "4 2 3 4 5 hydrophobe"
        }
      }
    },
    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 2
    }
  }
}