PC-Compounds ::= {
  {
    id {
      id cid 5477494
    },
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        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,
        34,
        35,
        36,
        37,
        38,
        39,
        40
      },
      element {
        cl,
        s,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        2,
        2,
        3,
        4,
        5,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        11,
        12,
        12,
        12,
        13,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        27
      },
      aid2 {
        26,
        5,
        6,
        7,
        20,
        14,
        21,
        40,
        10,
        14,
        15,
        11,
        12,
        29,
        13,
        17,
        13,
        14,
        28,
        16,
        18,
        19,
        30,
        31,
        32,
        21,
        22,
        24,
        33,
        25,
        34,
        21,
        23,
        26,
        35,
        26,
        36,
        27,
        37,
        27,
        38,
        39
      },
      order {
        single,
        single,
        double,
        double,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 9,
        top 13,
        bottom 14,
        below 28,
        parity any,
        type tetrahedral
      },
      planar {
        left 11,
        ltop -1,
        lbottom 9,
        right 17,
        rtop 22,
        rbottom 21,
        parity opposite,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
          4,
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          6,
          7,
          8,
          9,
          10,
          11,
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          18,
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          22,
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          25,
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          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40
        },
        conformers {
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            y {
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            z {
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              { -27636, 10, -4 },
              { 6374, 10, -4 }
            },
            data {
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                  release "2009.12.11"
                },
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              {
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                  label "Energy",
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                urn {
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                },
                value fval { 60968, 10, -3 }
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              {
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              {
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                  release "2012.11.26"
                },
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              {
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                value fval { 2861, 10, -1 }
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        },
        data {
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            value fval { 8, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
              release "2012.02.08"
            },
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    },
    props {
      {
        urn {
          label "Charge",
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          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
        urn {
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      {
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      }
    },
    count {
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    }
  }
}