PC-Compounds ::= {
  {
    id {
      id cid 638066
    },
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        3,
        4,
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        6,
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        c,
        c,
        c,
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        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
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        2,
        3,
        3,
        4,
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      },
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        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      planar {
        left 3,
        ltop 1,
        lbottom 11,
        right 4,
        rtop 12,
        rbottom 2,
        parity opposite,
        type planar
      }
    },
    coords {
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        type {
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          computed,
          units-angstroms
        },
        aid {
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          8,
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          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17,
          18
        },
        conformers {
          {
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              { 19539, 10, -4 },
              { -19538, 10, -4 },
              { 5095, 10, -4 },
              { -5096, 10, -4 },
              { 24835, 10, -4 },
              { -24834, 10, -4 },
              { 25381, 10, -4 },
              { 20861, 10, -4 },
              { -25382, 10, -4 },
              { -2086, 10, -3 },
              { 2997, 10, -4 },
              { -2998, 10, -4 },
              { 35422, 10, -4 },
              { 19411, 10, -4 },
              { 23912, 10, -4 },
              { -23913, 10, -4 },
              { -3542, 10, -3 },
              { -19409, 10, -4 }
            },
            y {
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              { -4707, 10, -4 },
              { -4767, 10, -4 },
              { -4767, 10, -4 },
              { 9474, 10, -4 },
              { 9474, 10, -4 },
              { -10149, 10, -4 },
              { -10063, 10, -4 },
              { -1015, 10, -3 },
              { -10061, 10, -4 },
              { -4648, 10, -4 },
              { -4651, 10, -4 },
              { 9281, 10, -4 },
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              { 15023, 10, -4 },
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            },
            z {
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              { -308, 10, -4 },
              { 4359, 10, -4 },
              { -436, 10, -3 },
              { -1138, 10, -4 },
              { 1138, 10, -4 },
              { 7816, 10, -4 },
              { -9168, 10, -4 },
              { -7813, 10, -4 },
              { 917, 10, -3 },
              { 15026, 10, -4 },
              { -15027, 10, -4 },
              { -3919, 10, -4 },
              { -8898, 10, -4 },
              { 826, 10, -3 },
              { -8262, 10, -4 },
              { 392, 10, -3 },
              { 8896, 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 "0009BC7200000003"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
                  datatype double,
                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { -23147, 10, -4 }
              },
              {
                urn {
                  label "Feature",
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                  version "2.1",
                  software "PubChem",
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                  release "2012.01.18"
                },
                value fval { 10149, 10, -3 }
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              {
                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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                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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                  { 0, 10, 0 },
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                  { -13, 10, -2 }
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              },
              {
                urn {
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                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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                },
                value fval { 212505, 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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            value fval { 4, 10, -1 }
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          {
            urn {
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            value ivec {
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              5
            }
          }
        }
      }
    },
    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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      },
      {
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          source "ncbi.nlm.nih.gov",
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      {
        urn {
          label "Features",
          name "Pharmacophore",
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          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 6 hydrophobe"
        }
      }
    },
    count {
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      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}