PC-Compounds ::= {
  {
    id {
      id cid 250388
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        16,
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      },
      element {
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        o,
        o,
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9
      },
      aid2 {
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        11,
        12,
        13,
        9,
        12,
        14,
        10,
        13,
        15,
        11,
        13,
        16,
        10,
        12,
        10,
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      },
      order {
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        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 1,
        top 5,
        bottom 10,
        below 11,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          4,
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          6,
          7,
          8,
          9,
          10,
          11,
          12,
          13,
          14,
          15,
          16,
          17
        },
        conformers {
          {
            x {
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              { -7085, 10, -4 },
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              { -32244, 10, -4 },
              { 1655, 10, -3 },
              { -9261, 10, -4 },
              { -19892, 10, -4 },
              { 14381, 10, -4 },
              { 3047, 10, -4 },
              { 2943, 10, -4 },
              { -8079, 10, -4 },
              { 23394, 10, -4 },
              { -21273, 10, -4 },
              { 21038, 10, -4 },
              { -9618, 10, -4 },
              { -2833, 10, -3 },
              { 8527, 10, -4 }
            },
            y {
              { -7567, 10, -4 },
              { -25355, 10, -4 },
              { 4766, 10, -4 },
              { 13299, 10, -4 },
              { -82, 10, -2 },
              { 14696, 10, -4 },
              { -6165, 10, -4 },
              { 14188, 10, -4 },
              { -5989, 10, -4 },
              { 8581, 10, -4 },
              { -13688, 10, -4 },
              { 3745, 10, -4 },
              { 7689, 10, -4 },
              { -17305, 10, -4 },
              { 24835, 10, -4 },
              { -11152, 10, -4 },
              { -14435, 10, -4 }
            },
            z {
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              { -4365, 10, -4 },
              { -1104, 10, -4 },
              { -328, 10, -4 },
              { 365, 10, -4 },
              { -3093, 10, -4 },
              { -1514, 10, -4 },
              { 3756, 10, -4 },
              { 712, 10, -4 },
              { -2669, 10, -4 },
              { -2184, 10, -4 },
              { -1018, 10, -4 },
              { -457, 10, -4 },
              { -103, 10, -4 },
              { -5778, 10, -4 },
              { 20256, 10, -4 }
            },
            data {
              {
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                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0003D21400000002"
              },
              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  software "Szybki",
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                  release "2012.11.26"
                },
                value fval { 332082, 10, -4 }
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              {
                urn {
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                  datatype double,
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                  software "PubChem",
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              {
                urn {
                  label "Fingerprint",
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                  software "PubChem",
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                  release "2012.11.26"
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                  "2748010 2 18339646646228032439",
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                  "528886 8 18341609287363259049",
                  "6333449 129 18342174513749671460"
                }
              },
              {
                urn {
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                  software "OEShape",
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                  release "2012.11.26"
                },
                value fvec {
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              {
                urn {
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                value fval { 1203, 10, -1 }
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            }
          }
        },
        data {
          {
            urn {
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            },
            value fval { 4, 10, -1 }
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          {
            urn {
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            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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          "14 0.37",
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      },
      {
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          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
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      {
        urn {
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          "1 7 donor",
          "1 8 donor",
          "5 5 8 9 10 12 rings",
          "6 6 7 9 10 11 13 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 19
    }
  }
}