PC-Compounds ::= {
  {
    id {
      id cid 53495842
    },
    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,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        18,
        18,
        19,
        20,
        20,
        21
      },
      aid2 {
        7,
        17,
        9,
        35,
        10,
        37,
        11,
        38,
        17,
        21,
        8,
        9,
        22,
        11,
        13,
        23,
        10,
        24,
        12,
        15,
        14,
        25,
        16,
        26,
        27,
        17,
        20,
        18,
        28,
        29,
        30,
        31,
        32,
        19,
        33,
        34,
        19,
        21,
        36,
        39,
        40,
        41
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 1,
        top 8,
        bottom 9,
        below 22,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 7,
        top 11,
        bottom 13,
        below 23,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 2,
        top 10,
        bottom 7,
        below 24,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 3,
        top 12,
        bottom 9,
        below 15,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 4,
        top 14,
        bottom 8,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 18,
        ltop 14,
        lbottom 21,
        right 19,
        rtop 16,
        rbottom 36,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
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          15,
          16,
          17,
          18,
          19,
          20,
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          22,
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          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41
        },
        conformers {
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            y {
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              { -2136, 10, -3 },
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              { 13565, 10, -4 },
              { -17049, 10, -4 },
              { -6408, 10, -4 },
              { 5168, 10, -4 },
              { 19641, 10, -4 }
            },
            data {
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              {
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                value fval { 45678, 10, -3 }
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              {
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              },
              {
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                value fvec {
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              {
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        data {
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          {
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            value ivec {
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    props {
      {
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          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
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      {
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      {
        urn {
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          "1 6 acceptor",
          "5 1 7 8 13 17 rings"
        }
      }
    },
    count {
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      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}