PC-Compounds ::= {
  {
    id {
      id cid 69737518
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
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        21,
        22,
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        25,
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        38,
        39,
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        44,
        45,
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        48,
        49,
        50,
        51,
        52,
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        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        21,
        21,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        27,
        28,
        28,
        28
      },
      aid2 {
        20,
        21,
        14,
        27,
        8,
        12,
        13,
        11,
        14,
        41,
        22,
        27,
        49,
        8,
        9,
        10,
        29,
        30,
        31,
        11,
        32,
        33,
        12,
        34,
        35,
        13,
        36,
        37,
        38,
        39,
        40,
        15,
        16,
        17,
        18,
        42,
        19,
        43,
        20,
        44,
        20,
        45,
        22,
        23,
        24,
        25,
        46,
        26,
        47,
        26,
        48,
        50,
        28,
        51,
        52,
        53
      },
      order {
        single,
        single,
        double,
        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,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
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        single,
        double,
        single,
        single,
        single,
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        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 10,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 5,
        top 13,
        bottom 9,
        below 36,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
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          4,
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          6,
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          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
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            z {
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            data {
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        data {
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            value fval { 1, 10, 0 }
          },
          {
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            },
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    props {
      {
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          label "Charge",
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          release "2012.11.26"
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        }
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    },
    count {
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      bond-chiral-def 0,
      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}