PC-Compounds ::= {
  {
    id {
      id cid 11458
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
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        20,
        21,
        22,
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        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,
        14,
        15,
        15,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        23,
        23
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      aid2 {
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        19,
        12,
        22,
        16,
        21,
        13,
        38,
        14,
        39,
        15,
        40,
        17,
        41,
        18,
        42,
        20,
        43,
        22,
        44,
        23,
        45,
        13,
        21,
        24,
        18,
        25,
        15,
        16,
        26,
        17,
        27,
        28,
        19,
        29,
        20,
        30,
        23,
        31,
        22,
        32,
        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 2,
        top 13,
        bottom 21,
        below 24,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 4,
        top 18,
        bottom 12,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 5,
        top 16,
        bottom 15,
        below 26,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 6,
        top 17,
        bottom 14,
        below 27,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 1,
        top 14,
        bottom 3,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 7,
        top 19,
        bottom 15,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 18,
        above 8,
        top 13,
        bottom 20,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 1,
        top 17,
        bottom 23,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 9,
        top 22,
        bottom 18,
        below 32,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 22,
        above 2,
        top 10,
        bottom 20,
        below 35,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          18,
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          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45
        },
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}