PC-Compounds ::= {
  {
    id {
      id cid 6442265
    },
    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
      },
      element {
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        cl,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        14,
        15,
        16,
        16,
        17
      },
      aid2 {
        12,
        13,
        13,
        15,
        15,
        16,
        17,
        9,
        11,
        12,
        18,
        14,
        15,
        16,
        11,
        13,
        14,
        19,
        20,
        21,
        13,
        22,
        17,
        23,
        24,
        25,
        26
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 9,
        top 12,
        bottom 11,
        below 18,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 8,
        top 14,
        bottom 15,
        below 16,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 11,
        top 13,
        bottom 14,
        below 19,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 1,
        top 13,
        bottom 8,
        below 22,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 14,
        ltop 9,
        lbottom 10,
        right 17,
        rtop 26,
        rbottom 7,
        parity opposite,
        type planar
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          8,
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          10,
          11,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26
        },
        conformers {
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              { -15366, 10, -4 },
              { -20914, 10, -4 },
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              { -8651, 10, -4 },
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            y {
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              { -1444, 10, -3 },
              { -10827, 10, -4 },
              { -29748, 10, -4 }
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            z {
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              { 18579, 10, -4 },
              { -7382, 10, -4 },
              { -21139, 10, -4 },
              { 5087, 10, -4 }
            },
            data {
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              {
                urn {
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                },
                value fval { 5074, 10, -3 }
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              {
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                  label "Fingerprint",
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                }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
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                  release "2012.01.18"
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                value fval { 215, 10, 0 }
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        data {
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            urn {
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          {
            urn {
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            value ivec {
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      }
    },
    props {
      {
        urn {
          label "Charge",
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          datatype stringlist,
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
        urn {
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          release "2012.11.26"
        },
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      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 4,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}