PC-Compounds ::= {
  {
    id {
      id cid 5523857
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
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        16,
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        20,
        21,
        22,
        23,
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        25,
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        30,
        31,
        32,
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        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47
      },
      element {
        o,
        n,
        n,
        n,
        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
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        3,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        14,
        16,
        16,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        24,
        24,
        24
      },
      aid2 {
        11,
        10,
        15,
        4,
        15,
        36,
        17,
        37,
        6,
        7,
        13,
        14,
        10,
        25,
        26,
        11,
        27,
        28,
        9,
        10,
        11,
        12,
        16,
        29,
        15,
        17,
        30,
        31,
        32,
        33,
        34,
        35,
        18,
        19,
        20,
        21,
        38,
        22,
        39,
        40,
        41,
        42,
        23,
        43,
        23,
        44,
        24,
        45,
        46,
        47
      },
      order {
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 8,
        top 12,
        bottom 16,
        below 29,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          6,
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          8,
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          10,
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          18,
          19,
          20,
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          22,
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          35,
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          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47
        },
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            data {
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        data {
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            },
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    },
    props {
      {
        urn {
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          source "openeye.com",
          release "2012.11.26"
        },
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      {
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        },
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          "6 2 8 9 10 12 15 rings",
          "6 5 6 7 8 10 11 rings"
        }
      }
    },
    count {
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 34
    }
  }
}