PC-Compounds ::= {
  {
    id {
      id cid 451448
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        5,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        14,
        14,
        15,
        16
      },
      aid2 {
        12,
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        11,
        24,
        10,
        25,
        14,
        27,
        6,
        13,
        15,
        16,
        15,
        16,
        17,
        28,
        29,
        17,
        30,
        11,
        12,
        19,
        13,
        18,
        14,
        20,
        21,
        22,
        23,
        26,
        17
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 3,
        top 11,
        bottom 12,
        below 19,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 2,
        top 13,
        bottom 10,
        below 18,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 1,
        top 10,
        bottom 14,
        below 20,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 1,
        top 5,
        bottom 11,
        below 21,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          25,
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          30
        },
        conformers {
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            y {
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            z {
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              { 7563, 10, -4 }
            },
            data {
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              {
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        data {
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    props {
      {
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          name "MMFF94 Partial",
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      },
      {
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      {
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          "1 8 donor",
          "1 9 donor",
          "3 5 7 15 cation",
          "3 6 7 16 cation",
          "3 8 9 17 cation",
          "5 1 10 11 12 13 rings",
          "5 5 6 7 15 16 rings"
        }
      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
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    }
  }
}