PC-Compound ::= {
  id {
    id cid 70658315
  },
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      h,
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      h,
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    }
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  bonds {
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    aid2 {
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    },
    order {
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    }
  },
  coords {
    {
      type {
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        computed,
        units-angstroms
      },
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        35,
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        38,
        39
      },
      conformers {
      },
      data {
        {
          urn {
            label "Conformer",
            name "RMSD",
            datatype double,
            release "2012.11.26"
          },
          value fval { 8, 10, -1 }
        },
        {
          urn {
            label "Diverse Conformer",
            name "ID List",
            datatype uintvec,
            release "2012.11.26"
          },
          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 {
        "17",
        "1 -0.65",
        "10 0.06",
        "11 -0.15",
        "13 -0.15",
        "14 -0.15",
        "15 -0.15",
        "17 0.66",
        "2 -0.57",
        "32 0.15",
        "33 0.15",
        "34 0.15",
        "35 0.15",
        "39 0.5",
        "4 0.14",
        "6 -0.14",
        "7 -0.14",
        "9 0.14"
      }
    },
    {
      urn {
        label "Count",
        name "Effective Rotor",
        datatype double,
        version "1.9.0",
        software "OEChem",
        source "ncbi.nlm.nih.gov",
        release "2012.11.26"
      },
      value fval { 8, 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"
      },
      value slist {
        "6",
        "1 1 acceptor",
        "1 16 hydrophobe",
        "1 2 acceptor",
        "3 1 2 17 anion",
        "5 3 4 5 8 10 hydrophobe",
        "6 6 7 11 13 14 15 rings"
      }
    }
  },
  count {
    heavy-atom 17,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}