PC-Compounds ::= {
  {
    id {
      id cid 16654696
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
        16,
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        21,
        22,
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        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40
      },
      element {
        p,
        p,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      },
      charge {
        {
          aid 8,
          value -1
        },
        {
          aid 11,
          value -1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        1,
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        10,
        13,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        17,
        18,
        18,
        18,
        19,
        19,
        20,
        21,
        21,
        22,
        22,
        23,
        24,
        25,
        27
      },
      aid2 {
        6,
        7,
        8,
        9,
        7,
        10,
        11,
        12,
        20,
        21,
        18,
        34,
        19,
        35,
        22,
        40,
        20,
        23,
        24,
        24,
        25,
        23,
        27,
        26,
        27,
        26,
        38,
        39,
        19,
        20,
        28,
        21,
        29,
        30,
        22,
        31,
        32,
        33,
        25,
        36,
        26,
        37
      },
      order {
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single
      }
    },
    stereo {
      tetrahedral {
        center 18,
        above 4,
        top 20,
        bottom 19,
        below 28,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 5,
        top 18,
        bottom 21,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 20,
        above 3,
        top 13,
        bottom 18,
        below 30,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 21,
        above 3,
        top 19,
        bottom 22,
        below 31,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          6,
          7,
          8,
          9,
          10,
          11,
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          15,
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          18,
          19,
          20,
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          22,
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          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40
        },
        conformers {
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            y {
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              { 1447, 10, -3 }
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            data {
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              {
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                  source "openeye.com",
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        data {
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    props {
      {
        urn {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          software "OEChem",
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      {
        urn {
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          "1 12 acceptor",
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          "1 3 acceptor",
          "1 4 acceptor",
          "1 4 donor",
          "1 5 acceptor",
          "1 5 donor",
          "1 8 acceptor",
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          "3 13 14 24 cation",
          "3 13 15 23 cation",
          "3 15 16 27 cation",
          "4 2 10 11 12 anion",
          "5 13 14 23 24 25 rings",
          "5 3 18 19 20 21 rings",
          "6 15 16 23 25 26 27 rings"
        }
      }
    },
    count {
      heavy-atom 27,
      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}