PC-Compounds ::= {
  {
    id {
      id cid 150311
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
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        18,
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        20,
        21,
        22,
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        25,
        26,
        27,
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        29,
        30,
        31,
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        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51
      },
      element {
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        f,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
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        h,
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        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        26,
        28,
        28,
        29,
        29
      },
      aid2 {
        27,
        30,
        10,
        14,
        44,
        22,
        51,
        8,
        10,
        13,
        8,
        9,
        10,
        31,
        11,
        32,
        12,
        33,
        34,
        15,
        16,
        14,
        35,
        36,
        17,
        18,
        19,
        37,
        20,
        38,
        21,
        39,
        23,
        40,
        24,
        41,
        25,
        26,
        22,
        42,
        22,
        43,
        27,
        45,
        27,
        46,
        28,
        47,
        29,
        48,
        30,
        49,
        30,
        50
      },
      order {
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 10,
        below 31,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 6,
        top 7,
        bottom 11,
        below 32,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 4,
        top 12,
        bottom 19,
        below 37,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
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          15,
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          18,
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          20,
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          22,
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          33,
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          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51
        },
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            data {
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              {
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                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              {
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                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 1264337, 10, -3 }
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              {
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                  release "2012.11.26"
                },
                value fval { 3166, 10, -1 }
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        data {
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            },
            value fval { 8, 10, -1 }
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          {
            urn {
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              datatype uintvec,
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            },
            value ivec {
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    props {
      {
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          source "openeye.com",
          release "2012.11.26"
        },
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      {
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        },
        value fval { 66, 10, -1 }
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      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
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          "4 6 7 8 10 rings",
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          "6 13 17 18 23 24 27 rings",
          "6 19 25 26 28 29 30 rings"
        }
      }
    },
    count {
      heavy-atom 30,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}