PC-Compounds ::= {
  {
    id {
      id cid 220338
    },
    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,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52
      },
      element {
        o,
        o,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        20,
        20,
        20,
        21,
        21,
        22,
        22
      },
      aid2 {
        19,
        50,
        19,
        4,
        5,
        7,
        14,
        6,
        8,
        23,
        9,
        12,
        24,
        10,
        17,
        19,
        11,
        25,
        26,
        13,
        27,
        28,
        13,
        18,
        11,
        29,
        30,
        31,
        32,
        15,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        16,
        40,
        41,
        18,
        20,
        21,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        22,
        49,
        51,
        52
      },
      order {
        single,
        single,
        double,
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 3,
        above 4,
        top 5,
        bottom 7,
        below 14,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 4,
        above 3,
        top 8,
        bottom 6,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 3,
        top 12,
        bottom 9,
        below 24,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 6,
        above 4,
        top 17,
        bottom 10,
        below 19,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 15,
        top 18,
        bottom 20,
        below 21,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52
        },
        conformers {
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            data {
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        data {
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          {
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            },
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    props {
      {
        urn {
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          "6 5 9 12 15 16 18 rings"
        }
      }
    },
    count {
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      bond-chiral 0,
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      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}