PC-Compounds ::= {
  {
    id {
      id cid 5484207
    },
    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 {
        s,
        s,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
        17,
        18
      },
      aid2 {
        9,
        10,
        11,
        13,
        12,
        26,
        12,
        17,
        8,
        10,
        22,
        11,
        14,
        9,
        12,
        19,
        20,
        21,
        11,
        14,
        15,
        16,
        17,
        23,
        18,
        24,
        18,
        25
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 6,
        top 12,
        bottom 9,
        below 19,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 10,
        ltop 1,
        lbottom 6,
        right 11,
        rtop 2,
        rbottom 7,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
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          units-angstroms
        },
        aid {
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          4,
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          8,
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          11,
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          14,
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          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
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        },
        conformers {
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            z {
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              { -8141, 10, -4 },
              { -14086, 10, -4 }
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            data {
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              {
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              {
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                  release "2012.11.26"
                },
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              {
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        data {
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          {
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              datatype uintvec,
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            },
            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
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      {
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          "3 3 4 12 anion",
          "5 1 6 8 9 10 rings",
          "5 2 7 11 13 14 rings",
          "6 13 14 15 16 17 18 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}