PC-Compounds ::= {
  {
    id {
      id cid 5988
    },
    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,
        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 {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        23
      },
      aid2 {
        12,
        15,
        12,
        16,
        16,
        20,
        13,
        38,
        14,
        39,
        17,
        40,
        18,
        41,
        19,
        42,
        21,
        43,
        22,
        44,
        23,
        45,
        13,
        21,
        14,
        24,
        15,
        25,
        22,
        26,
        17,
        27,
        18,
        28,
        19,
        29,
        20,
        30,
        23,
        31,
        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 1,
        top 2,
        bottom 13,
        below 21,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 4,
        top 14,
        bottom 12,
        below 24,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 5,
        top 13,
        bottom 15,
        below 25,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 1,
        top 14,
        bottom 22,
        below 26,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 2,
        top 3,
        bottom 17,
        below 27,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 6,
        top 16,
        bottom 18,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 18,
        above 7,
        top 19,
        bottom 17,
        below 29,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 8,
        top 18,
        bottom 20,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 3,
        top 19,
        bottom 23,
        below 31,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          4,
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          7,
          8,
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          10,
          11,
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          15,
          16,
          17,
          18,
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          22,
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          26,
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          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45
        },
        conformers {
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              { -30702, 10, -4 },
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              { 36108, 10, -4 },
              { 315, 10, -2 },
              { -19582, 10, -4 },
              { -13845, 10, -4 },
              { 38369, 10, -4 },
              { -14947, 10, -4 },
              { -29301, 10, -4 },
              { -3229, 10, -3 },
              { -25505, 10, -4 },
              { 7534, 10, -4 },
              { 16462, 10, -4 },
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              { -679, 10, -3 },
              { 37489, 10, -4 }
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            y {
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              { -25508, 10, -4 },
              { 26806, 10, -4 },
              { 11234, 10, -4 }
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            z {
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              { -243, 10, -2 },
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              { 1866, 10, -4 },
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              { 1639, 10, -3 },
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              { 3521, 10, -4 },
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              { 4327, 10, -4 },
              { 5871, 10, -4 },
              { -30488, 10, -4 },
              { -12535, 10, -4 },
              { -28135, 10, -4 }
            },
            data {
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              {
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        data {
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    },
    props {
      {
        urn {
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          "1 6 acceptor",
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          "1 7 acceptor",
          "1 7 donor",
          "1 8 acceptor",
          "1 8 donor",
          "1 9 acceptor",
          "1 9 donor",
          "5 1 12 13 14 15 rings",
          "6 3 16 17 18 19 20 rings"
        }
      }
    },
    count {
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      atom-chiral 9,
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      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}