PC-Compound ::= {
  id {
    id cid 11384163
  },
  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,
      29,
      30,
      31,
      32,
      33,
      34,
      35,
      36,
      37,
      38,
      39,
      40,
      41,
      42,
      43,
      44,
      45,
      46,
      47,
      48,
      49,
      50,
      51,
      52
    },
    element {
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      1,
      1,
      2,
      2,
      2,
      2,
      3,
      3,
      3,
      3,
      4,
      4,
      4,
      4,
      5,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      8,
      9,
      10,
      11,
      11,
      11,
      12,
      12,
      12,
      13,
      13,
      13,
      14,
      15,
      16,
      17,
      17,
      18,
      18,
      19,
      19,
      20,
      20,
      21,
      21,
      22,
      22,
      23,
      23,
      24,
      24,
      25,
      26,
      27,
      28,
      29,
      30
    },
    aid2 {
      5,
      6,
      7,
      17,
      8,
      9,
      10,
      18,
      11,
      12,
      13,
      19,
      14,
      15,
      16,
      20,
      8,
      9,
      33,
      8,
      10,
      34,
      9,
      10,
      35,
      36,
      37,
      38,
      14,
      15,
      39,
      14,
      16,
      40,
      15,
      16,
      41,
      42,
      43,
      44,
      21,
      45,
      22,
      46,
      23,
      47,
      24,
      48,
      25,
      49,
      26,
      50,
      27,
      51,
      28,
      52,
      29,
      30,
      31,
      32,
      31,
      32
    },
    order {
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      double,
      single,
      double,
      single,
      double,
      single,
      double,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      single,
      triple,
      triple,
      triple,
      triple,
      single,
      single
    }
  },
  stereo {
    planar {
      left 17,
      ltop 1,
      lbottom 45,
      right 21,
      rtop 25,
      rbottom 49,
      parity same,
      type planar
    },
    planar {
      left 18,
      ltop 2,
      lbottom 46,
      right 22,
      rtop 26,
      rbottom 50,
      parity same,
      type planar
    },
    planar {
      left 19,
      ltop 3,
      lbottom 47,
      right 23,
      rtop 27,
      rbottom 51,
      parity same,
      type planar
    },
    planar {
      left 20,
      ltop 4,
      lbottom 48,
      right 24,
      rtop 28,
      rbottom 52,
      parity same,
      type planar
    }
  },
  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,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52
      },
      conformers {
        {
          x {
            { 80148, 10, -4 },
            { 58701, 10, -4 },
            { 47919, 10, -4 },
            { 34417, 10, -4 },
            { 90053, 10, -4 },
            { 81523, 10, -4 },
            { 74207, 10, -4 },
            { 91428, 10, -4 },
            { 84165, 10, -4 },
            { 66874, 10, -4 },
            { 20187, 10, -4 },
            { 34417, 10, -4 },
            { 3851, 10, -3 },
            { 27346, 10, -4 },
            { 27317, 10, -4 },
            { 41488, 10, -4 },
            { 84252, 10, -4 },
            { 50301, 10, -4 },
            { 56267, 10, -4 },
            { 29214, 10, -4 },
            { 86211, 10, -4 },
            { 42306, 10, -4 },
            { 6457, 10, -3 },
            { 26, 10, -1 },
            { 85876, 10, -4 },
            { 35315, 10, -4 },
            { 72206, 10, -4 },
            { 25014, 10, -4 },
            { 83275, 10, -4 },
            { 29853, 10, -4 },
            { 78601, 10, -4 },
            { 26331, 10, -4 },
            { 93793, 10, -4 },
            { 81982, 10, -4 },
            { 70462, 10, -4 },
            { 96373, 10, -4 },
            { 87528, 10, -4 },
            { 67636, 10, -4 },
            { 13987, 10, -4 },
            { 33391, 10, -4 },
            { 41901, 10, -4 },
            { 22971, 10, -4 },
            { 25718, 10, -4 },
            { 47475, 10, -4 },
            { 90382, 10, -4 },
            { 49214, 10, -4 },
            { 56385, 10, -4 },
            { 23865, 10, -4 },
            { 92381, 10, -4 },
            { 39602, 10, -4 },
            { 66366, 10, -4 },
            { 2, 10, 0 }
          },
          y {
            { -18785, 10, -4 },
            { -30808, 10, -4 },
            { 29393, 10, -4 },
            { 21824, 10, -4 },
            { -17411, 10, -4 },
            { -2869, 10, -3 },
            { -24732, 10, -4 },
            { -27316, 10, -4 },
            { -25477, 10, -4 },
            { -28843, 10, -4 },
            { 21795, 10, -4 },
            { 35966, 10, -4 },
            { 17689, 10, -4 },
            { 28895, 10, -4 },
            { 14665, 10, -4 },
            { 28895, 10, -4 },
            { -11449, 10, -4 },
            { -30481, 10, -4 },
            { 30386, 10, -4 },
            { 15221, 10, -4 },
            { -3274, 10, -4 },
            { -27887, 10, -4 },
            { 29076, 10, -4 },
            { 7454, 10, -4 },
            { 5125, 10, -4 },
            { -23219, 10, -4 },
            { 25561, 10, -4 },
            { -894, 10, -4 },
            { 13118, 10, -4 },
            { -16829, 10, -4 },
            { 20105, 10, -4 },
            { -9196, 10, -4 },
            { -12466, 10, -4 },
            { -34874, 10, -4 },
            { -1979, 10, -3 },
            { -31056, 10, -4 },
            { -30686, 10, -4 },
            { -34996, 10, -4 },
            { 21808, 10, -4 },
            { 42081, 10, -4 },
            { 12499, 10, -4 },
            { 33288, 10, -4 },
            { 8675, 10, -4 },
            { 30506, 10, -4 },
            { -10517, 10, -4 },
            { -36585, 10, -4 },
            { 36585, 10, -4 },
            { 18355, 10, -4 },
            { -3879, 10, -4 },
            { -33466, 10, -4 },
            { 3501, 10, -3 },
            { 9018, 10, -4 }
          }
        }
      }
    }
  },
  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 { 121, 10, 1 }
    },
    {
      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 0
    },
    {
      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 0
    },
    {
      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 0
    },
    {
      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 '00000371E07C000000000000000000000000000060C000000000000000
000000000000000000001800000000000F00800000000000000000C01020420000000000200000
0808000000080000020000000000000080000800030080C00F8000000000000000800004000020
0000000000000000'H
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "InChI=1S/C32H20/c1-2-6-10-14-30-23-26-24(30)28-25(30)27(23)3
2(26,28)16-12-8-4-3-7-11-15-31-20-17-21(31)19-22(31)18(20)29(17,19)13-9-5-1/h9
-28H/b13-9-,14-10-,15-11-,16-12-"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.3",
        software "InChI",
        source "nist.gov",
        release "2011.09.13"
      },
      value sval "VDFDBIFYCQNLTN-NONDJZLBSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.09.13"
      },
      value fval { 59, 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 { 404156501, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value sval "C32H20"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 4045012, 10, -4 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C1=CC23C4C5C2C6C3C4C56C=CC#CC#CC=CC78C9C2C7C3C8C9C23C=CC#CC#
C1"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.4",
        software "OEChem",
        source "openeye.com",
        release "2011.09.13"
      },
      value sval "C\1=C\C23C4C5C2C6C5(C4C36)/C=C\C#CC#C/C=C\C78C9C2C7C3C2(C9C8
3)/C=C\C#CC#C1"
    },
    {
      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 { 0, 10, 0 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.09.13"
      },
      value fval { 404156501, 10, -6 }
    }
  },
  count {
    heavy-atom 32,
    atom-chiral 0,
    atom-chiral-def 0,
    atom-chiral-undef 0,
    bond-chiral 4,
    bond-chiral-def 4,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}