PC-Compounds ::= {
  {
    id {
      id cid 8002
    },
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        2,
        3,
        4,
        5,
        6,
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      },
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      }
    },
    bonds {
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      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    coords {
      {
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        },
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          6,
          7,
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          10,
          11,
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        },
        conformers {
          {
            x {
              { 27992, 10, -4 },
              { -444, 10, -4 },
              { -13506, 10, -4 },
              { 11575, 10, -4 },
              { -25616, 10, -4 },
              { -22, 10, -4 },
              { -235, 10, -4 },
              { -1391, 10, -3 },
              { -1393, 10, -3 },
              { 11859, 10, -4 },
              { 1191, 10, -3 },
              { -25667, 10, -4 },
              { -34844, 10, -4 },
              { -25685, 10, -4 }
            },
            y {
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              { 4972, 10, -4 },
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              { -4218, 10, -4 },
              { -9558, 10, -4 },
              { -9447, 10, -4 },
              { 11203, 10, -4 },
              { 11716, 10, -4 },
              { 1278, 10, -3 },
              { 1248, 10, -3 },
              { -10904, 10, -4 },
              { 1666, 10, -4 },
              { -10346, 10, -4 }
            },
            z {
              { 93, 10, -4 },
              { -44, 10, -4 },
              { 2, 10, -2 },
              { -17, 10, -3 },
              { -79, 10, -4 },
              { 8713, 10, -4 },
              { -8892, 10, -4 },
              { 9211, 10, -4 },
              { -8432, 10, -4 },
              { 8656, 10, -4 },
              { -9205, 10, -4 },
              { 8588, 10, -4 },
              { 114, 10, -4 },
              { -9151, 10, -4 }
            },
            data {
              {
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                  name "ID",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "00001F4200000001"
              },
              {
                urn {
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                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { -23384, 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 { 10149, 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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              },
              {
                urn {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 86, 10, -2 },
                  { 64, 10, -2 },
                  { 55, 10, -2 },
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              },
              {
                urn {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 169128, 10, -3 }
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              {
                urn {
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                  version "1.8.1",
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                  source "openeye.com",
                  release "2012.01.18"
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              }
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          }
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        data {
          {
            urn {
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          },
          {
            urn {
              label "Diverse Conformer",
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            },
            value ivec {
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            }
          }
        }
      }
    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
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      {
        urn {
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 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 1
    }
  }
}