PC-Compound ::= {
  id {
    id cid 30668
  },
  atoms {
    aid {
      1,
      2,
      3,
      4,
      5,
      6,
      7,
      8,
      9,
      10,
      11,
      12,
      13,
      14,
      15,
      16,
      17,
      18,
      19,
      20,
      21,
      22,
      23,
      24,
      25,
      26,
      27,
      28
    },
    element {
      cl,
      cl,
      o,
      n,
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      2,
      3,
      3,
      4,
      4,
      4,
      5,
      5,
      6,
      6,
      6,
      8,
      8,
      8,
      9,
      9,
      10,
      10,
      10,
      11,
      11,
      12,
      13,
      14,
      14,
      15,
      15,
      16
    },
    aid2 {
      12,
      13,
      6,
      11,
      7,
      8,
      22,
      7,
      9,
      7,
      10,
      17,
      9,
      18,
      19,
      20,
      21,
      23,
      24,
      25,
      12,
      13,
      14,
      15,
      16,
      26,
      16,
      27,
      28
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      single,
      double,
      double,
      single,
      single,
      single,
      single
    }
  },
  stereo {
    tetrahedral {
      center 6,
      above 3,
      top 7,
      bottom 10,
      below 17,
      parity any,
      type tetrahedral
    }
  },
  coords {
    {
      type {
        twod,
        computed,
        units-unknown
      },
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28
      },
      conformers {
        {
          x {
            { 2, 10, 0 },
            { 54641, 10, -4 },
            { 3732, 10, -3 },
            { 37891, 10, -4 },
            { 54071, 10, -4 },
            { 45981, 10, -4 },
            { 45981, 10, -4 },
            { 40981, 10, -4 },
            { 50981, 10, -4 },
            { 54641, 10, -4 },
            { 3732, 10, -3 },
            { 2866, 10, -3 },
            { 45981, 10, -4 },
            { 2866, 10, -3 },
            { 45981, 10, -4 },
            { 3732, 10, -3 },
            { 45981, 10, -4 },
            { 41629, 10, -4 },
            { 34916, 10, -4 },
            { 57045, 10, -4 },
            { 50333, 10, -4 },
            { 31994, 10, -4 },
            { 51541, 10, -4 },
            { 6001, 10, -3 },
            { 57741, 10, -4 },
            { 23291, 10, -4 },
            { 5135, 10, -3 },
            { 3732, 10, -3 }
          },
          y {
            { -10194, 10, -4 },
            { -10194, 10, -4 },
            { -194, 10, -4 },
            { 20684, 10, -4 },
            { 20684, 10, -4 },
            { 4806, 10, -4 },
            { 14806, 10, -4 },
            { 30194, 10, -4 },
            { 30194, 10, -4 },
            { -194, 10, -4 },
            { -10194, 10, -4 },
            { -15194, 10, -4 },
            { -15194, 10, -4 },
            { -25194, 10, -4 },
            { -25194, 10, -4 },
            { -30194, 10, -4 },
            { -3694, 10, -4 },
            { 3636, 10, -3 },
            { 31483, 10, -4 },
            { 31483, 10, -4 },
            { 3636, 10, -3 },
            { 18768, 10, -4 },
            { -5564, 10, -4 },
            { -3294, 10, -4 },
            { 5175, 10, -4 },
            { -28294, 10, -4 },
            { -28294, 10, -4 },
            { -36394, 10, -4 }
          },
          style {
            annotation {
              wavy,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic,
              aromatic
            },
            aid1 {
              6,
              11,
              11,
              12,
              13,
              14,
              15
            },
            aid2 {
              17,
              12,
              13,
              14,
              15,
              16,
              16
            }
          }
        }
      }
    }
  },
  charge 0,
  props {
    {
      urn {
        label "Compound",
        name "Canonicalized",
        datatype uint,
        release "2011.04.04"
      },
      value ival 1
    },
    {
      urn {
        label "Compound Complexity",
        datatype double,
        implementation "E_COMPLEXITY",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 263, 10, 0 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 2
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 1
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value ival 3
    },
    {
      urn {
        label "Fingerprint",
        name "SubStructure Keys",
        datatype fingerprint,
        parameters "extended 2",
        implementation "E_SCREEN",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value binary '00000371C0732000060000000000000000000000000100000000300000
000000000000010000001E02100000000816E19026330682C00400A00022622404020801202540
0988803C0B880E6623853B1A973820A4D01198A807804000000000000000800800000000000100
1000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "2-[1-(2,6-dichlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "2-[1-[2,6-bis(chloranyl)phenoxy]ethyl]-4,5-dihydro-1H-imidaz
ole"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.0.2",
        software "LexiChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "2-[1-(2,6-dichlorophenoxy)ethyl]-2-imidazoline"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-
9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "KSMAGQUYOIHWFS-UHFFFAOYSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.09.13"
      },
      value fval { 26, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 258032668, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C11H12Cl2N2O"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 25913178, 10, -5 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "CC(C1=NCCN1)OC2=C(C=CC=C2Cl)Cl"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.09.13"
      },
      value fval { 336, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 258032668, 10, -6 }
    }
  },
  count {
    heavy-atom 16,
    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
  }
}