PC-Compounds ::= {
  {
    id {
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    },
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        3,
        4,
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        6,
        7,
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        10,
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      },
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        c,
        c,
        c,
        c,
        h,
        h,
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        h,
        h,
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      }
    },
    bonds {
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        2,
        3,
        4,
        4,
        4,
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        5,
        6,
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        single,
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        single,
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        single,
        single,
        single,
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        single,
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      }
    },
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        ltop 4,
        lbottom 8,
        right 6,
        rtop 7,
        rbottom 11,
        parity any,
        type planar
      },
      planar {
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        ltop 6,
        lbottom 12,
        right 9,
        rtop 10,
        rbottom 15,
        parity any,
        type planar
      }
    },
    coords {
      {
        type {
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        },
        aid {
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          11,
          12,
          13,
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          16,
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        },
        conformers {
          {
            x {
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              { -26395, 10, -4 },
              { 468, 10, -2 },
              { -14634, 10, -4 },
              { -1301, 10, -3 },
              { -1281, 10, -4 },
              { 11877, 10, -4 },
              { -25847, 10, -4 },
              { 23172, 10, -4 },
              { 36152, 10, -4 },
              { -1334, 10, -4 },
              { 12419, 10, -4 },
              { -6623, 10, -4 },
              { -23957, 10, -4 },
              { 2328, 10, -3 },
              { 35748, 10, -4 },
              { -45126, 10, -4 }
            },
            y {
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              { 16289, 10, -4 },
              { 3134, 10, -4 },
              { -17188, 10, -4 },
              { -3606, 10, -4 },
              { 3043, 10, -4 },
              { -309, 10, -3 },
              { 4062, 10, -4 },
              { 4106, 10, -4 },
              { -2924, 10, -4 },
              { 1393, 10, -3 },
              { -13935, 10, -4 },
              { -23359, 10, -4 },
              { -21137, 10, -4 },
              { 14946, 10, -4 },
              { -13944, 10, -4 },
              { 1416, 10, -4 }
            },
            z {
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              { -1, 10, -4 },
              { -2, 10, -4 },
              { -1, 10, -4 },
              { 11, 10, -4 },
              { 1, 10, -4 },
              { 3, 10, -4 },
              { 9, 10, -4 },
              { -7, 10, -4 },
              { 1, 10, -4 },
              { 0, 10, 0 },
              { 15, 10, -4 },
              { -13, 10, -4 },
              { -3, 10, -4 },
              { -19, 10, -4 },
              { 14, 10, -4 },
              { -26, 10, -4 }
            },
            data {
              {
                urn {
                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0000001E00000001"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
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              },
              {
                urn {
                  label "Feature",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 30505, 10, -3 }
              },
              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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                  "23402539 116 18343012299013694645",
                  "366044 4 18410573977105173347"
                }
              },
              {
                urn {
                  label "Shape",
                  name "Multipoles",
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                  version "1.8.1",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
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                  { 3, 10, -2 },
                  { 0, 10, 0 },
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                }
              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.01.18"
                },
                value fval { 355915, 10, -3 }
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              {
                urn {
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                  release "2012.01.18"
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                value fval { 1093, 10, -1 }
              }
            }
          }
        },
        data {
          {
            urn {
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              release "2009.12.11"
            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
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            }
          }
        }
      }
    },
    props {
      {
        urn {
          label "Charge",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "12 0.15",
          "13 0.4",
          "14 0.4",
          "15 0.15",
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          "17 0.5",
          "2 -0.57",
          "3 -0.57",
          "4 -0.9",
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      },
      {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.01.18"
        },
        value fval { 3, 10, 0 }
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      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "1 3 acceptor",
          "1 4 cation",
          "1 4 donor",
          "3 1 2 8 anion"
        }
      }
    },
    count {
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      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 2,
      bond-chiral-def 0,
      bond-chiral-undef 2,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}