PC-Compounds ::= {
  {
    id {
      id cid 11082
    },
    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,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        3,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        12,
        12,
        12,
        13,
        13,
        13
      },
      aid2 {
        7,
        8,
        11,
        14,
        26,
        14,
        7,
        9,
        11,
        10,
        24,
        25,
        10,
        15,
        9,
        12,
        13,
        14,
        16,
        11,
        17,
        18,
        19,
        20,
        21,
        22,
        23
      },
      order {
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 1,
        top 5,
        bottom 10,
        below 15,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 5,
        top 14,
        bottom 8,
        below 16,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 6,
        top 7,
        bottom 11,
        below 17,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
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          units-angstroms
        },
        aid {
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          15,
          16,
          17,
          18,
          19,
          20,
          21,
          22,
          23,
          24,
          25,
          26
        },
        conformers {
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              { -15481, 10, -4 },
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              { -17441, 10, -4 },
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              { -14769, 10, -4 },
              { -20367, 10, -4 },
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              { -19241, 10, -4 },
              { -11418, 10, -4 },
              { -27166, 10, -4 },
              { 39244, 10, -4 },
              { 36382, 10, -4 },
              { -35379, 10, -4 }
            },
            y {
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              { 14053, 10, -4 },
              { 3285, 10, -4 },
              { 16639, 10, -4 },
              { -1732, 10, -3 }
            },
            z {
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              { 20172, 10, -4 },
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              { 10046, 10, -4 },
              { -1215, 10, -3 },
              { -22605, 10, -4 },
              { -1541, 10, -3 },
              { -10558, 10, -4 },
              { -1688, 10, -4 },
              { -3803, 10, -4 }
            },
            data {
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                  software "PubChem",
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                },
                value sval "00002B4A00000002"
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              {
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                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
                },
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              {
                urn {
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                  software "PubChem",
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                },
                value fval { 4065, 10, -2 }
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              {
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                  release "2012.11.26"
                },
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              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
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                },
                value fvec {
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              },
              {
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                },
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              {
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        data {
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            },
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          {
            urn {
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              datatype uintvec,
              release "2010.07.16"
            },
            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
          datatype stringlist,
          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      },
      {
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      {
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          release "2012.11.26"
        },
        value slist {
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          "1 6 cation",
          "1 6 donor",
          "3 3 4 14 anion",
          "3 8 12 13 hydrophobe",
          "7 1 5 7 8 9 10 11 rings"
        }
      }
    },
    count {
      heavy-atom 14,
      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}