PC-Compounds ::= {
  {
    id {
      id cid 5488848
    },
    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,
        42,
        43
      },
      element {
        o,
        o,
        n,
        n,
        n,
        n,
        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
      },
      charge {
        {
          aid 5,
          value 1
        },
        {
          aid 6,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        5,
        7,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        19,
        20,
        20,
        20,
        21,
        21,
        22,
        23
      },
      aid2 {
        9,
        19,
        22,
        43,
        10,
        17,
        20,
        5,
        14,
        6,
        8,
        9,
        11,
        12,
        10,
        13,
        24,
        14,
        25,
        15,
        26,
        17,
        27,
        28,
        18,
        19,
        16,
        29,
        30,
        16,
        31,
        18,
        32,
        33,
        34,
        35,
        36,
        37,
        21,
        22,
        38,
        39,
        40,
        23,
        41,
        23,
        42
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 11,
        below 12,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 7,
        top 13,
        bottom 10,
        below 24,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 1,
        top 14,
        bottom 7,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 3,
        top 8,
        bottom 15,
        below 26,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 4,
        top 9,
        bottom 16,
        below 31,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        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,
          42,
          43
        },
        conformers {
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              { 115, 10, -2 },
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              { 3876, 10, -4 },
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              { -18405, 10, -4 },
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            y {
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            z {
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              { -1912, 10, -3 },
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              { -2423, 10, -4 },
              { 3806, 10, -4 },
              { -13438, 10, -4 },
              { 18143, 10, -4 },
              { 10101, 10, -4 },
              { -10039, 10, -4 }
            },
            data {
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              {
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        data {
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            value fval { 6, 10, -1 }
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          {
            urn {
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    },
    props {
      {
        urn {
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          source "openeye.com",
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      {
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          "6 7 8 10 12 15 18 rings",
          "6 7 8 9 13 14 16 rings"
        }
      }
    },
    count {
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      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}