PC-Compounds ::= {
  {
    id {
      id cid 68379623
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
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        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,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        66,
        67,
        68,
        69,
        70,
        71,
        72,
        73,
        74,
        75,
        76,
        77,
        78,
        79,
        80,
        81,
        82,
        83,
        84,
        85,
        86,
        87,
        88,
        89,
        90,
        91,
        92,
        93,
        94,
        95,
        96,
        97,
        98,
        99,
        100,
        101,
        102,
        103,
        104,
        105,
        106
      },
      element {
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        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
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        h,
        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        10,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        25,
        25,
        25,
        26,
        27,
        27,
        28,
        28,
        28,
        29,
        29,
        30,
        30,
        30,
        31,
        31,
        31,
        32,
        32,
        33,
        33,
        33,
        34,
        34,
        35,
        35,
        36,
        36,
        36,
        37,
        37,
        37,
        38,
        38,
        38,
        39,
        39,
        39,
        40,
        40,
        41,
        41,
        41,
        42,
        42,
        43,
        43,
        44,
        44,
        44,
        45
      },
      aid2 {
        27,
        94,
        32,
        41,
        35,
        40,
        40,
        44,
        42,
        103,
        43,
        104,
        45,
        105,
        46,
        106,
        46,
        11,
        13,
        15,
        25,
        12,
        22,
        47,
        14,
        23,
        28,
        16,
        21,
        30,
        17,
        19,
        48,
        17,
        49,
        50,
        18,
        26,
        51,
        52,
        20,
        31,
        53,
        27,
        35,
        36,
        24,
        32,
        37,
        24,
        54,
        55,
        26,
        56,
        57,
        29,
        58,
        59,
        60,
        61,
        62,
        63,
        64,
        65,
        29,
        66,
        67,
        68,
        69,
        70,
        71,
        72,
        73,
        74,
        33,
        75,
        76,
        34,
        77,
        34,
        38,
        39,
        78,
        79,
        80,
        81,
        82,
        83,
        84,
        85,
        86,
        87,
        88,
        89,
        90,
        91,
        92,
        93,
        42,
        95,
        96,
        97,
        98,
        43,
        99,
        45,
        100,
        45,
        46,
        101,
        102
      },
      order {
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        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,
        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,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 11,
        top 15,
        bottom 13,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 10,
        top 12,
        bottom 22,
        below 47,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 11,
        top 23,
        bottom 14,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 10,
        top 16,
        bottom 21,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 12,
        top 17,
        bottom 19,
        below 48,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 18,
        above 16,
        top 31,
        bottom 20,
        below 53,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 14,
        top 27,
        bottom 35,
        below 36,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 18,
        top 24,
        bottom 32,
        below 37,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 27,
        above 1,
        top 29,
        bottom 19,
        below 66,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 32,
        above 2,
        top 20,
        bottom 34,
        below 77,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 40,
        above 3,
        top 42,
        bottom 4,
        below 95,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 42,
        above 5,
        top 40,
        bottom 43,
        below 99,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 43,
        above 6,
        top 45,
        bottom 42,
        below 100,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 44,
        above 4,
        top 45,
        bottom 46,
        below 101,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 45,
        above 7,
        top 43,
        bottom 44,
        below 102,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
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          7,
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          15,
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          18,
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          22,
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          30,
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          33,
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          38,
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          41,
          42,
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          49,
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          51,
          52,
          53,
          54,
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          56,
          57,
          58,
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          60,
          61,
          62,
          63,
          64,
          65,
          66,
          67,
          68,
          69,
          70,
          71,
          72,
          73,
          74,
          75,
          76,
          77,
          78,
          79,
          80,
          81,
          82,
          83,
          84,
          85,
          86,
          87,
          88,
          89,
          90,
          91,
          92,
          93,
          94,
          95,
          96,
          97,
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          99,
          100,
          101,
          102,
          103,
          104,
          105,
          106
        },
        conformers {
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            z {
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