PC-Compounds ::= {
  {
    id {
      id cid 1035427
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
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        20,
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        30,
        31,
        32,
        33,
        34,
        35,
        36,
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        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      element {
        o,
        o,
        n,
        n,
        n,
        c,
        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,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        13,
        13,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        23,
        25,
        25,
        26,
        26,
        27,
        28,
        28,
        28
      },
      aid2 {
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        24,
        28,
        8,
        14,
        16,
        14,
        38,
        39,
        19,
        7,
        8,
        12,
        13,
        15,
        29,
        9,
        10,
        30,
        31,
        11,
        32,
        33,
        12,
        34,
        35,
        14,
        19,
        17,
        18,
        20,
        21,
        22,
        36,
        23,
        37,
        25,
        40,
        26,
        41,
        24,
        42,
        24,
        43,
        27,
        44,
        27,
        45,
        46,
        47,
        48,
        49
      },
      order {
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 6,
        top 15,
        bottom 13,
        below 29,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
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          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
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              { -36821, 10, -4 }
            },
            data {
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              {
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                  release "2012.11.26"
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              {
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                  release "2012.11.26"
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        data {
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          {
            urn {
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            value ivec {
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    },
    props {
      {
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      },
      {
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        },
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      {
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          "6 15 17 18 22 23 24 rings",
          "6 16 20 21 25 26 27 rings",
          "6 3 6 7 8 13 14 rings",
          "6 6 8 9 10 11 12 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 10
    }
  }
}