PC-Compounds ::= {
  {
    id {
      id cid 439341
    },
    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,
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        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        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,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        22,
        22,
        23,
        23
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      aid2 {
        12,
        14,
        14,
        20,
        15,
        21,
        13,
        38,
        16,
        39,
        17,
        40,
        18,
        41,
        19,
        42,
        21,
        43,
        22,
        44,
        23,
        45,
        13,
        15,
        24,
        19,
        25,
        16,
        26,
        22,
        27,
        17,
        28,
        18,
        29,
        20,
        30,
        21,
        32,
        23,
        31,
        33,
        34,
        35,
        36,
        37
      },
      order {
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 1,
        top 13,
        bottom 15,
        below 24,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 4,
        top 12,
        bottom 19,
        below 25,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 1,
        top 2,
        bottom 16,
        below 26,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 3,
        top 12,
        bottom 22,
        below 27,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 5,
        top 14,
        bottom 17,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 6,
        top 18,
        bottom 16,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 18,
        above 7,
        top 17,
        bottom 20,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 8,
        top 21,
        bottom 13,
        below 32,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 2,
        top 18,
        bottom 23,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 21,
        above 3,
        top 19,
        bottom 9,
        below 33,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
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          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45
        },
        conformers {
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              { -11763, 10, -4 }
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  }
}