PC-Compounds ::= {
  {
    id {
      id cid 9835303
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
        17,
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        20,
        21,
        22,
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        24,
        25,
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        28,
        29,
        30,
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        32,
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        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48
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      element {
        o,
        o,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        20
      },
      aid2 {
        8,
        46,
        20,
        48,
        4,
        5,
        10,
        21,
        7,
        8,
        14,
        6,
        12,
        22,
        9,
        11,
        23,
        9,
        24,
        25,
        13,
        26,
        27,
        28,
        13,
        29,
        30,
        15,
        17,
        31,
        16,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        16,
        19,
        39,
        40,
        18,
        41,
        42,
        20,
        43,
        44,
        20,
        45,
        47
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        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,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 3,
        above 4,
        top 10,
        bottom 5,
        below 21,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 4,
        above 3,
        top 8,
        bottom 7,
        below 14,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 3,
        top 6,
        bottom 12,
        below 22,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 6,
        above 5,
        top 11,
        bottom 9,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 1,
        top 13,
        bottom 4,
        below 26,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 6,
        top 17,
        bottom 15,
        below 31,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 2,
        top 18,
        bottom 19,
        below 47,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          20,
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          30,
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          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48
        },
        conformers {
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            data {
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        data {
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    props {
      {
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          source "openeye.com",
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          "6 3 4 5 6 7 9 rings",
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        }
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    },
    count {
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      atom-chiral 7,
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      atom-chiral-undef 0,
      bond-chiral 0,
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}