PC-Compounds ::= {
  {
    id {
      id cid 70689547
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        o,
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        o,
        o,
        n,
        n,
        n,
        n,
        n,
        n,
        c,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
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    },
    bonds {
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        1,
        1,
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        17,
        17,
        18,
        18,
        19,
        20,
        21,
        23,
        23,
        23,
        24,
        24,
        24,
        25,
        26,
        26,
        26,
        27,
        27,
        27
      },
      aid2 {
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        6,
        7,
        13,
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        17,
        14,
        34,
        15,
        35,
        18,
        16,
        19,
        20,
        20,
        21,
        19,
        25,
        22,
        23,
        38,
        22,
        25,
        48,
        49,
        15,
        16,
        28,
        17,
        30,
        29,
        18,
        31,
        32,
        33,
        21,
        36,
        22,
        24,
        26,
        37,
        27,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47
      },
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        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 14,
        above 3,
        top 16,
        bottom 15,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 4,
        top 14,
        bottom 17,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 2,
        top 8,
        bottom 14,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 2,
        top 15,
        bottom 18,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 23,
        above 11,
        top 24,
        bottom 26,
        below 37,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
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            data {
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        data {
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          {
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      {
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          "1 3 donor",
          "1 4 acceptor",
          "1 4 donor",
          "1 6 acceptor",
          "1 7 acceptor",
          "3 10 12 25 cation",
          "3 8 10 19 cation",
          "3 8 9 20 cation",
          "5 2 14 15 16 17 rings",
          "5 8 9 19 20 21 rings",
          "6 10 12 19 21 22 25 rings"
        }
      }
    },
    count {
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      atom-chiral 5,
      atom-chiral-def 4,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}