PC-Compounds ::= {
  {
    id {
      id cid 390049
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        50,
        51,
        52,
        53
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
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        c,
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        c,
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        h,
        h,
        h,
        h,
        h,
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        h,
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        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,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        11,
        11,
        12,
        12,
        13,
        14,
        15,
        15,
        17,
        17,
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        18,
        19,
        19,
        20,
        21,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        26,
        27,
        27,
        28,
        29,
        29,
        29,
        30,
        30,
        30,
        31,
        31,
        31
      },
      aid2 {
        10,
        13,
        14,
        23,
        16,
        23,
        20,
        29,
        21,
        30,
        22,
        31,
        8,
        9,
        11,
        32,
        10,
        12,
        17,
        18,
        15,
        13,
        33,
        14,
        34,
        19,
        16,
        16,
        35,
        21,
        36,
        20,
        37,
        24,
        25,
        22,
        22,
        38,
        39,
        26,
        40,
        27,
        41,
        28,
        42,
        28,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53
      },
      order {
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
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        single,
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        single,
        single,
        single,
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        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 11,
        below 32,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
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            z {
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            data {
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                  release "2012.11.26"
                },
                value fval { 1343234, 10, -3 }
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              {
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                  label "Shape",
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        data {
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          {
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    props {
      {
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          source "openeye.com",
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        },
        value fval { 6, 10, 0 }
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          "6 19 24 25 26 27 28 rings",
          "6 8 10 12 14 15 16 rings",
          "6 9 17 18 20 21 22 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
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    }
  }
}