PC-Compounds ::= {
  {
    id {
      id cid 44143753
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
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        36,
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        38,
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        40,
        41,
        42,
        43,
        44,
        45,
        46
      },
      element {
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        o,
        o,
        o,
        o,
        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
      }
    },
    bonds {
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        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        19,
        19,
        20,
        22,
        23,
        24,
        24,
        25,
        25,
        25,
        26,
        26,
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      aid2 {
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        24,
        18,
        25,
        21,
        26,
        7,
        8,
        10,
        27,
        9,
        28,
        29,
        11,
        30,
        31,
        12,
        13,
        14,
        15,
        12,
        32,
        16,
        17,
        18,
        33,
        19,
        34,
        20,
        35,
        23,
        36,
        21,
        21,
        37,
        22,
        23,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46
      },
      order {
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
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        single,
        single,
        double,
        single,
        single,
        single,
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        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 10,
        bottom 8,
        below 27,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          6,
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          38,
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          40,
          41,
          42,
          43,
          44,
          45,
          46
        },
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            y {
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              { -25865, 10, -4 },
              { -21081, 10, -4 }
            },
            data {
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              {
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                value fval { 45834, 10, -3 }
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              {
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                  release "2012.11.26"
                },
                value fval { 1111105, 10, -3 }
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              {
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                value fval { 2722, 10, -1 }
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        data {
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            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
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            },
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    },
    props {
      {
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      {
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        value fval { 52, 10, -1 }
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      {
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          "6 13 16 17 20 22 23 rings",
          "6 6 7 8 9 11 12 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}