PC-Compounds ::= {
  {
    id {
      id cid 53393625
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44
      },
      element {
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        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        3,
        4,
        5,
        6,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        15,
        15,
        15,
        16,
        16,
        16,
        18,
        19,
        19,
        19,
        20,
        20,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        26
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      aid2 {
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        11,
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        18,
        21,
        43,
        21,
        10,
        12,
        14,
        13,
        18,
        36,
        13,
        27,
        12,
        15,
        16,
        17,
        28,
        14,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        19,
        20,
        21,
        37,
        22,
        23,
        24,
        39,
        25,
        40,
        26,
        41,
        26,
        42,
        44
      },
      order {
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        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,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 1,
        top 13,
        bottom 8,
        below 27,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 8,
        top 17,
        bottom 11,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 9,
        top 14,
        bottom 10,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 18,
        top 20,
        bottom 21,
        below 37,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
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          35,
          36,
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          38,
          39,
          40,
          41,
          42,
          43,
          44
        },
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        data {
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    props {
      {
        urn {
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          source "OpenEye Scientific Software",
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        }
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    count {
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    }
  }
}