PC-Compounds ::= {
  {
    id {
      id cid 57070526
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21
      },
      element {
        f,
        f,
        f,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        2,
        3,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
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        9,
        10,
        10,
        10
      },
      aid2 {
        6,
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        8,
        5,
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        6,
        7,
        11,
        8,
        12,
        9,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 4,
        top 6,
        bottom 7,
        below 11,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 6,
        above 1,
        top 5,
        bottom 8,
        below 12,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 2,
        top 5,
        bottom 9,
        below 13,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
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          11,
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          14,
          15,
          16,
          17,
          18,
          19,
          20,
          21
        },
        conformers {
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              { -16466, 10, -4 },
              { 32346, 10, -4 },
              { -4078, 10, -4 },
              { -4039, 10, -4 },
              { 9014, 10, -4 },
              { -16692, 10, -4 },
              { 2147, 10, -3 },
              { -179, 10, -2 },
              { -12701, 10, -4 },
              { -3941, 10, -4 },
              { 9704, 10, -4 },
              { -2573, 10, -3 },
              { 22062, 10, -4 },
              { 22094, 10, -4 },
              { -10082, 10, -4 },
              { -17473, 10, -4 },
              { -27444, 10, -4 },
              { -11412, 10, -4 },
              { -23203, 10, -4 },
              { -10086, 10, -4 }
            },
            y {
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              { -9288, 10, -4 },
              { -3735, 10, -4 },
              { 15037, 10, -4 },
              { 3372, 10, -4 },
              { -4186, 10, -4 },
              { -4849, 10, -4 },
              { 4198, 10, -4 },
              { -17012, 10, -4 },
              { 25012, 10, -4 },
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              { 817, 10, -3 },
              { 12414, 10, -4 },
              { -2437, 10, -3 },
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              { -22055, 10, -4 },
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              { 27499, 10, -4 }
            },
            z {
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              { -1775, 10, -4 },
              { -3924, 10, -4 },
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              { -1412, 10, -4 },
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              { -8958, 10, -4 },
              { 4628, 10, -4 },
              { -728, 10, -4 },
              { -11746, 10, -4 }
            },
            data {
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                  software "PubChem",
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                },
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                  source "openeye.com",
                  release "2012.11.26"
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                urn {
                  label "Feature",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 5074, 10, -3 }
              },
              {
                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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              },
              {
                urn {
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                  software "OEShape",
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                },
                value fvec {
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              },
              {
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
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              {
                urn {
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                  version "1.8.3",
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                  source "openeye.com",
                  release "2012.11.26"
                },
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              }
            }
          }
        },
        data {
          {
            urn {
              label "Conformer",
              name "RMSD",
              datatype double,
              release "2012.02.08"
            },
            value fval { 6, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
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    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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      },
      {
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          software "OEChem",
          source "ncbi.nlm.nih.gov",
          release "2012.11.26"
        },
        value fval { 4, 10, 0 }
      },
      {
        urn {
          label "Features",
          name "Pharmacophore",
          datatype stringlist,
          parameters "ImplicitMillsDean merged",
          version "1.8.3",
          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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        }
      }
    },
    count {
      heavy-atom 10,
      atom-chiral 3,
      atom-chiral-def 0,
      atom-chiral-undef 3,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}