PC-Compounds ::= {
  {
    id {
      id cid 4054
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
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        20,
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        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
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        33,
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      },
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        c,
        c,
        c,
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        c,
        c,
        c,
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        c,
        c,
        c,
        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        2,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
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        5,
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        6,
        7,
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        8,
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        9,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13
      },
      aid2 {
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        33,
        34,
        6,
        7,
        9,
        12,
        6,
        8,
        10,
        13,
        7,
        8,
        11,
        9,
        10,
        11,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
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      },
      order {
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        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 2,
        above 6,
        top 7,
        bottom 9,
        below 12,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 3,
        above 6,
        top 8,
        bottom 10,
        below 13,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
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          24,
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          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
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        },
        conformers {
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              { -4436, 10, -4 },
              { -4537, 10, -4 }
            },
            data {
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                },
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              {
                urn {
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 333167, 10, -4 }
              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 42892, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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              },
              {
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                },
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              {
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              {
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        data {
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    props {
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        urn {
          label "Charge",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
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          "6 3 4 5 8 10 11 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}