PC-Compounds ::= {
  {
    id {
      id cid 115340
    },
    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
      },
      element {
        s,
        p,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        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 {
      aid1 {
        1,
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        9,
        10,
        11,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        21,
        22,
        22,
        25,
        26,
        26,
        26
      },
      aid2 {
        21,
        22,
        4,
        10,
        11,
        12,
        16,
        17,
        18,
        20,
        25,
        21,
        35,
        23,
        36,
        23,
        24,
        42,
        43,
        25,
        19,
        33,
        34,
        24,
        37,
        38,
        18,
        22,
        23,
        20,
        21,
        27,
        19,
        28,
        20,
        29,
        30,
        24,
        31,
        32,
        26,
        39,
        40,
        41
      },
      order {
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        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
      }
    },
    stereo {
      tetrahedral {
        center 16,
        above 3,
        top 22,
        bottom 18,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 3,
        top 20,
        bottom 21,
        below 27,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 18,
        above 4,
        top 16,
        bottom 19,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 14,
        top 18,
        bottom 20,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 5,
        top 17,
        bottom 19,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 21,
        above 1,
        top 17,
        bottom 6,
        below 24,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          6,
          7,
          8,
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          10,
          11,
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          15,
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          20,
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          22,
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          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43
        },
        conformers {
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    props {
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    count {
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      bond-chiral-undef 0,
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    }
  }
}