PC-Compounds ::= {
  {
    id {
      id cid 129297
    },
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        2,
        3,
        4,
        5,
        6,
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        8,
        9,
        10,
        11,
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        13,
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        16,
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      },
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        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
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      },
      aid2 {
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        6,
        7,
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      },
      order {
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        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 4,
        top 5,
        bottom 8,
        below 12,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          11,
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          16,
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          18
        },
        conformers {
          {
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              { -26755, 10, -4 },
              { 19898, 10, -4 },
              { 644, 10, -4 },
              { 15857, 10, -4 },
              { -7136, 10, -4 },
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              { -21897, 10, -4 },
              { -2932, 10, -4 },
              { -1585, 10, -4 },
              { 20605, 10, -4 },
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              { -5738, 10, -4 },
              { 16098, 10, -4 },
              { 15916, 10, -4 },
              { 19164, 10, -4 },
              { -38829, 10, -4 }
            },
            y {
              { 11107, 10, -4 },
              { 13427, 10, -4 },
              { -7728, 10, -4 },
              { -8673, 10, -4 },
              { -8944, 10, -4 },
              { -8006, 10, -4 },
              { 2743, 10, -4 },
              { 4812, 10, -4 },
              { 1263, 10, -4 },
              { -18392, 10, -4 },
              { -9485, 10, -4 },
              { -16288, 10, -4 },
              { 12254, 10, -4 },
              { 306, 10, -3 },
              { -17121, 10, -4 },
              { -875, 10, -4 },
              { 6029, 10, -4 },
              { 10089, 10, -4 }
            },
            z {
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              { -1626, 10, -4 },
              { -6689, 10, -4 },
              { 12377, 10, -4 },
              { -3322, 10, -4 },
              { -1619, 10, -4 },
              { 274, 10, -3 },
              { -7694, 10, -4 },
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              { 985, 10, -4 },
              { -14067, 10, -4 },
              { -6994, 10, -4 },
              { -161, 10, -3 },
              { 13592, 10, -4 },
              { 16634, 10, -4 },
              { 17586, 10, -4 },
              { -18485, 10, -4 },
              { 3913, 10, -4 }
            },
            data {
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                  label "Conformer",
                  name "ID",
                  datatype uint64,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2009.12.11"
                },
                value sval "0001F91100000001"
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              {
                urn {
                  label "Energy",
                  name "MMFF94 NoEstat",
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                  version "1.6.0",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.01.18"
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                },
                value fval { 30504, 10, -3 }
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              {
                urn {
                  label "Fingerprint",
                  name "Shape",
                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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                }
              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fvec {
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              },
              {
                urn {
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                  software "PubChem",
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                },
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              {
                urn {
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                },
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              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
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              release "2009.12.11"
            },
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          },
          {
            urn {
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              name "ID List",
              datatype uintvec,
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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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          "16 0.36",
          "17 0.06",
          "18 0.5",
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          "8 0.45",
          "9 0.66"
        }
      },
      {
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          software "OEChem",
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        },
        value fval { 4, 10, 0 }
      },
      {
        urn {
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          "1 4 cation",
          "1 4 donor",
          "3 1 3 9 anion"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}