PC-Compounds ::= {
  {
    id {
      id cid 172675
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24
      },
      element {
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        12,
        13,
        14
      },
      aid2 {
        6,
        11,
        12,
        23,
        11,
        13,
        24,
        6,
        7,
        15,
        16,
        9,
        17,
        8,
        10,
        11,
        12,
        18,
        19,
        20,
        13,
        21,
        14,
        14,
        22
      },
      order {
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 1,
        top 5,
        bottom 9,
        below 17,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          4,
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          11,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24
        },
        conformers {
          {
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              { -315, 10, -4 },
              { -15, 10, -3 },
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              { -12799, 10, -4 },
              { -33536, 10, -4 },
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              { -4355, 10, -3 }
            },
            y {
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              { 8958, 10, -4 }
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            z {
              { 334, 10, -4 },
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              { -384, 10, -4 },
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              { -4259, 10, -4 },
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              { -2108, 10, -4 },
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              { 1286, 10, -4 },
              { -998, 10, -4 },
              { -121, 10, -4 },
              { -134, 10, -3 },
              { -313, 10, -4 },
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              { 2399, 10, -4 },
              { -2527, 10, -4 },
              { -3218, 10, -4 },
              { -1489, 10, -4 }
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            data {
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              {
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                  release "2012.01.18"
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              {
                urn {
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                  software "PubChem",
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                },
                value fval { 25398, 10, -3 }
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              {
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                  label "Fingerprint",
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                  version "2.1",
                  software "PubChem",
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                  "6333449 129 18340768255415268293",
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                }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
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                value fvec {
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              {
                urn {
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                  release "2012.01.18"
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        data {
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            urn {
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            value fval { 4, 10, -1 }
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          {
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            value ivec {
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
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          release "2012.11.26"
        },
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      },
      {
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      {
        urn {
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          "6 7 8 10 12 13 14 rings"
        }
      }
    },
    count {
      heavy-atom 14,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 25
    }
  }
}