PC-Compounds ::= {
  {
    id {
      id cid 7373241
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46
      },
      element {
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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 {
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        1,
        1,
        2,
        3,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        7,
        9,
        9,
        11,
        11,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        18,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        22,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        25,
        25,
        26,
        26,
        26
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      aid2 {
        12,
        24,
        8,
        10,
        12,
        6,
        8,
        12,
        27,
        10,
        11,
        8,
        9,
        14,
        10,
        15,
        13,
        28,
        19,
        20,
        16,
        29,
        17,
        30,
        17,
        31,
        32,
        21,
        22,
        23,
        21,
        33,
        22,
        34,
        35,
        36,
        25,
        37,
        38,
        26,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46
      },
      order {
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 6,
        top 8,
        bottom 12,
        below 27,
        parity any,
        type tetrahedral
      },
      planar {
        left 6,
        ltop 5,
        lbottom 10,
        right 11,
        rtop 28,
        rbottom 13,
        parity opposite,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
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          28,
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          34,
          35,
          36,
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          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46
        },
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              { 5391, 10, -3 }
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            z {
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              { 2602, 10, -4 },
              { -5813, 10, -4 }
            },
            data {
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              {
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                  source "openeye.com",
                  release "2012.11.26"
                },
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              {
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        data {
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          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
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            },
            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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        },
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      {
        urn {
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          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "1 3 acceptor",
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          "1 5 anion",
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          "6 5 6 7 8 9 10 rings",
          "6 7 9 14 15 16 17 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
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      atom-chiral-undef 1,
      bond-chiral 1,
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}