PC-Compounds ::= {
  {
    id {
      id cid 10296
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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      },
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        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
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        3,
        3,
        3,
        4,
        4,
        5,
        5,
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        16,
        10,
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        11,
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      order {
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        single,
        double,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 3,
        above 4,
        top 5,
        bottom 8,
        below 12,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
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        },
        conformers {
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              { 11543, 10, -4 },
              { -2928, 10, -4 },
              { 16194, 10, -4 },
              { -9131, 10, -4 },
              { -10258, 10, -4 },
              { 2062, 10, -3 },
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              { -23792, 10, -4 },
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              { -5553, 10, -4 },
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              { 39447, 10, -4 }
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            y {
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              { -3583, 10, -4 },
              { -1684, 10, -4 },
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              { 5063, 10, -4 },
              { -7931, 10, -4 },
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              { -284, 10, -4 },
              { -21702, 10, -4 },
              { -24943, 10, -4 },
              { -19404, 10, -4 },
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              { -14144, 10, -4 },
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              { 3249, 10, -4 },
              { 933, 10, -3 }
            },
            z {
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              { 11363, 10, -4 },
              { -6262, 10, -4 },
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              { 6396, 10, -4 },
              { -989, 10, -3 },
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              { 4814, 10, -4 },
              { 531, 10, -3 }
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            data {
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                  software "PubChem",
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                  release "2009.12.11"
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              {
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                },
                value fval { 25431, 10, -3 }
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              {
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                  datatype stringlist,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
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                }
              },
              {
                urn {
                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
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              {
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              {
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        data {
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            },
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          {
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            }
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        }
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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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          release "2012.11.26"
        },
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        }
      }
    },
    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 1
    }
  }
}