PC-Compounds ::= {
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    id {
      id cid 11807
    },
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        5,
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      }
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    bonds {
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        2,
        3,
        3,
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      },
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        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17
        },
        conformers {
          {
            x {
              { 20482, 10, -4 },
              { -15032, 10, -4 },
              { -4059, 10, -4 },
              { 9215, 10, -4 },
              { -5379, 10, -4 },
              { -5227, 10, -4 },
              { 10058, 10, -4 },
              { 9964, 10, -4 },
              { 2474, 10, -4 },
              { -4583, 10, -4 },
              { -15019, 10, -4 },
              { -14995, 10, -4 },
              { 2389, 10, -4 },
              { -4077, 10, -4 },
              { -23998, 10, -4 },
              { -14637, 10, -4 },
              { 21027, 10, -4 }
            },
            y {
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              { 4, 10, -4 },
              { 203, 10, -3 },
              { 984, 10, -3 },
              { -14384, 10, -4 },
              { -476, 10, -3 },
              { 1226, 10, -3 },
              { 8198, 10, -4 },
              { 20234, 10, -4 },
              { 8732, 10, -4 },
              { -16134, 10, -4 },
              { -16549, 10, -4 },
              { -21674, 10, -4 },
              { 1555, 10, -4 },
              { 12265, 10, -4 },
              { -9611, 10, -4 }
            },
            z {
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              { 9561, 10, -4 },
              { 15, 10, -3 },
              { 768, 10, -3 },
              { -11559, 10, -4 },
              { -5091, 10, -4 },
              { 1625, 10, -3 },
              { 11547, 10, -4 },
              { -19022, 10, -4 },
              { -8163, 10, -4 },
              { -16664, 10, -4 },
              { -9757, 10, -4 },
              { -12661, 10, -4 },
              { 3014, 10, -4 },
              { 4824, 10, -4 },
              { 12784, 10, -4 },
              { -2615, 10, -4 }
            },
            data {
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                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00002E1F00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 2959, 10, -3 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 25371, 10, -3 }
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              {
                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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                  "29004967 10 17095809930918729496",
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                }
              },
              {
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                  release "2012.01.18"
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              {
                urn {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 198652, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
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                value fval { 756, 10, -1 }
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        data {
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      }
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    props {
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        urn {
          label "Charge",
          name "MMFF94 Partial",
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          "17 0.4",
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      },
      {
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          release "2012.01.18"
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      {
        urn {
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          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 1 donor",
          "1 2 cation",
          "1 2 donor",
          "3 3 5 6 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 1
    }
  }
}