PC-Compounds ::= {
  {
    id {
      id cid 779
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
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        12,
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      },
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        o,
        o,
        n,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
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        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
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      },
      order {
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        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
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        above 4,
        top 6,
        bottom 8,
        below 9,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
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          units-angstroms
        },
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        },
        conformers {
          {
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              { -17185, 10, -4 },
              { -2469, 10, -3 },
              { -3465, 10, -4 },
              { -311, 10, -3 },
              { 8911, 10, -4 },
              { 22546, 10, -4 },
              { -16058, 10, -4 },
              { -2861, 10, -4 },
              { 8801, 10, -4 },
              { 7953, 10, -4 },
              { 23944, 10, -4 },
              { 23419, 10, -4 },
              { -3969, 10, -4 },
              { -11849, 10, -4 },
              { 41414, 10, -4 },
              { -2557, 10, -3 }
            },
            y {
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              { 1562, 10, -3 },
              { -3314, 10, -4 },
              { -17834, 10, -4 },
              { -3603, 10, -4 },
              { 3584, 10, -4 },
              { -2214, 10, -4 },
              { 2544, 10, -4 },
              { -2633, 10, -4 },
              { 14196, 10, -4 },
              { 3633, 10, -4 },
              { -1968, 10, -4 },
              { -12583, 10, -4 },
              { -1903, 10, -3 },
              { -22128, 10, -4 },
              { 1089, 10, -4 },
              { 19568, 10, -4 }
            },
            z {
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              { 3379, 10, -4 },
              { -6586, 10, -4 },
              { 1503, 10, -4 },
              { 4866, 10, -4 },
              { -1453, 10, -4 },
              { 2237, 10, -4 },
              { -178, 10, -4 },
              { 15774, 10, -4 },
              { 1368, 10, -4 },
              { -12402, 10, -4 },
              { 13093, 10, -4 },
              { -1154, 10, -4 },
              { -8606, 10, -4 },
              { 539, 10, -3 },
              { -1012, 10, -4 },
              { 164, 10, -4 }
            },
            data {
              {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000030B00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.7.2",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
                },
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              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 3558, 10, -2 }
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                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
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                  "5460574 1 9727637206653669544"
                }
              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
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              {
                urn {
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        data {
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            urn {
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            },
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          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "15 0.36",
          "16 0.4",
          "17 0.5",
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        }
      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
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        value fval { 3, 10, 0 }
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      {
        urn {
          label "Features",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 2 acceptor",
          "1 3 acceptor",
          "1 4 cation",
          "1 4 donor",
          "3 2 3 8 anion"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}