PC-Compounds ::= {
  {
    id {
      id cid 59083440
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        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,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        16,
        16,
        18,
        18,
        18
      },
      aid2 {
        14,
        15,
        11,
        27,
        13,
        28,
        15,
        29,
        16,
        30,
        17,
        10,
        12,
        17,
        26,
        10,
        17,
        18,
        12,
        13,
        19,
        15,
        20,
        14,
        21,
        16,
        22,
        23,
        24,
        25,
        31,
        32,
        33
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 2,
        top 13,
        bottom 12,
        below 19,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 8,
        top 11,
        bottom 15,
        below 20,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 3,
        top 14,
        bottom 11,
        below 21,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 1,
        top 13,
        bottom 16,
        below 22,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 1,
        top 4,
        bottom 12,
        below 23,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
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          22,
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          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33
        },
        conformers {
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            y {
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        data {
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    props {
      {
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          software "OEChem",
          source "openeye.com",
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          "1 5 donor",
          "1 6 acceptor",
          "1 8 donor",
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      }
    },
    count {
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      atom-chiral 5,
      atom-chiral-def 3,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}