PC-Compounds ::= {
  {
    id {
      id cid 49786646
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44
      },
      element {
        cl,
        s,
        o,
        o,
        o,
        o,
        n,
        n,
        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
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        15,
        15,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        26,
        26,
        27
      },
      aid2 {
        25,
        14,
        16,
        11,
        12,
        9,
        35,
        13,
        36,
        21,
        14,
        15,
        21,
        22,
        40,
        10,
        11,
        28,
        12,
        29,
        30,
        13,
        31,
        14,
        32,
        33,
        34,
        16,
        17,
        18,
        19,
        37,
        20,
        38,
        20,
        21,
        39,
        23,
        24,
        25,
        41,
        26,
        42,
        27,
        27,
        43,
        44
      },
      order {
        single,
        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,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 4,
        top 10,
        bottom 11,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 3,
        top 9,
        bottom 13,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 3,
        top 14,
        bottom 10,
        below 32,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
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          15,
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          18,
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          30,
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          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44
        },
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              { -81, 10, -4 }
            },
            data {
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        data {
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          {
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    props {
      {
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          "6 22 23 24 25 26 27 rings"
        }
      }
    },
    count {
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      atom-chiral 3,
      atom-chiral-def 3,
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
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  }
}