PC-Compounds ::= {
  {
    id {
      id cid 60186246
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        19,
        20,
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        27,
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        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48
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        f,
        f,
        f,
        f,
        f,
        o,
        o,
        o,
        n,
        n,
        n,
        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
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        7,
        8,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        19,
        19,
        19,
        20,
        20,
        22,
        22,
        23,
        23,
        23,
        24,
        25,
        25,
        26,
        28,
        28,
        28
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      aid2 {
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        27,
        27,
        29,
        29,
        29,
        20,
        45,
        21,
        24,
        13,
        15,
        19,
        17,
        18,
        24,
        21,
        28,
        43,
        14,
        17,
        30,
        16,
        20,
        31,
        16,
        18,
        32,
        21,
        33,
        34,
        35,
        22,
        23,
        36,
        37,
        38,
        39,
        25,
        40,
        27,
        41,
        42,
        26,
        26,
        44,
        46,
        29,
        47,
        48
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        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,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 13,
        above 10,
        top 17,
        bottom 14,
        below 30,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 13,
        top 16,
        bottom 20,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 10,
        top 16,
        bottom 18,
        below 32,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 14,
        top 21,
        bottom 15,
        below 33,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          36,
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          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48
        },
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            data {
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        data {
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    },
    props {
      {
        urn {
          label "Charge",
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          software "OEChem",
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          release "2012.11.26"
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        }
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    },
    count {
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    }
  }
}