PC-Compound ::= {
  id {
    id cid 637986
  },
  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
    },
    element {
      n,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      c,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h,
      h
    }
  },
  bonds {
    aid1 {
      1,
      1,
      1,
      2,
      2,
      2,
      3,
      3,
      3,
      4,
      4,
      4,
      5,
      5,
      6,
      6,
      6,
      7,
      7,
      7,
      8,
      8,
      9,
      9,
      9
    },
    aid2 {
      2,
      3,
      9,
      4,
      6,
      10,
      5,
      7,
      11,
      5,
      12,
      13,
      14,
      15,
      8,
      16,
      17,
      8,
      18,
      19,
      20,
      21,
      22,
      23,
      24
    },
    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
    }
  },
  stereo {
    tetrahedral {
      center 2,
      above 1,
      top 4,
      bottom 6,
      below 10,
      parity clockwise,
      type tetrahedral
    },
    tetrahedral {
      center 3,
      above 1,
      top 7,
      bottom 5,
      below 11,
      parity counterclockwise,
      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
      },
      conformers {
        {
          x {
            { 4126, 10, -3 },
            { 36482, 10, -4 },
            { 33894, 10, -4 },
            { 18163, 10, -4 },
            { 15575, 10, -4 },
            { 51834, 10, -4 },
            { 59924, 10, -4 },
            { 60969, 10, -4 },
            { 4626, 10, -3 },
            { 38682, 10, -4 },
            { 31694, 10, -4 },
            { 20283, 10, -4 },
            { 1225, 10, -3 },
            { 9662, 10, -4 },
            { 13454, 10, -4 },
            { 55211, 10, -4 },
            { 47226, 10, -4 },
            { 60947, 10, -4 },
            { 66121, 10, -4 },
            { 67034, 10, -4 },
            { 62885, 10, -4 },
            { 40891, 10, -4 },
            { 4936, 10, -3 },
            { 5163, 10, -3 }
          },
          y {
            { 11628, 10, -4 },
            { -7857, 10, -4 },
            { 1802, 10, -4 },
            { -15445, 10, -4 },
            { -5786, 10, -4 },
            { -20289, 10, -4 },
            { -6276, 10, -4 },
            { -16221, 10, -4 },
            { 20289, 10, -4 },
            { -16067, 10, -4 },
            { 10012, 10, -4 },
            { -21271, 10, -4 },
            { -1731, 10, -3 },
            { -765, 10, -3 },
            { 4, 10, -3 },
            { -25488, 10, -4 },
            { -24437, 10, -4 },
            { -161, 10, -4 },
            { -6465, 10, -4 },
            { -14932, 10, -4 },
            { -22118, 10, -4 },
            { 23389, 10, -4 },
            { 25658, 10, -4 },
            { 17189, 10, -4 }
          },
          style {
            annotation {
              wedge-up,
              wedge-down
            },
            aid1 {
              2,
              3
            },
            aid2 {
              10,
              11
            }
          }
        }
      }
    }
  },
  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 "2011.12.21"
      },
      value fval { 991, 10, -1 }
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Acceptor",
        datatype uint,
        implementation "E_NHACCEPTORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.12.21"
      },
      value ival 1
    },
    {
      urn {
        label "Count",
        name "Hydrogen Bond Donor",
        datatype uint,
        implementation "E_NHDONORS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.12.21"
      },
      value ival 0
    },
    {
      urn {
        label "Count",
        name "Rotatable Bond",
        datatype uint,
        implementation "E_NROTBONDS",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.12.21"
      },
      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 "2011.12.21"
      },
      value binary '00000371C07200000000000000000000000000000001600000002C0000
000600000000000000001C00000000000828C10004020003000000000000000000000000000000
000000080000000002008000040000000000800001108000000000000000000000000000000000
0000000000000000'H
    },
    {
      urn {
        label "IUPAC Name",
        name "Allowed",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2011.12.21"
      },
      value sval "(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane"
    },
    {
      urn {
        label "IUPAC Name",
        name "CAS-like Style",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2011.12.21"
      },
      value sval "(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane"
    },
    {
      urn {
        label "IUPAC Name",
        name "Preferred",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2011.12.21"
      },
      value sval "(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane"
    },
    {
      urn {
        label "IUPAC Name",
        name "Systematic",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2011.12.21"
      },
      value sval "(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane"
    },
    {
      urn {
        label "IUPAC Name",
        name "Traditional",
        datatype string,
        version "2.1.0",
        software "LexiChem",
        source "openeye.com",
        release "2011.12.21"
      },
      value sval "(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane"
    },
    {
      urn {
        label "InChI",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "nist.gov",
        release "2011.12.21"
      },
      value sval "InChI=1S/C8H15N/c1-9-7-3-2-4-8(9)6-5-7/h7-8H,2-6H2,1H3/t7-,8+"
    },
    {
      urn {
        label "InChIKey",
        name "Standard",
        datatype string,
        version "1.0.4",
        software "InChI",
        source "nist.gov",
        release "2011.12.21"
      },
      value sval "XLRPYZSEQKXZAA-OCAPTIKFSA-N"
    },
    {
      urn {
        label "Log P",
        name "XLogP3-AA",
        datatype double,
        version "3.0",
        source "sioc-ccbg.ac.cn",
        release "2011.12.21"
      },
      value fval { 17, 10, -1 }
    },
    {
      urn {
        label "Mass",
        name "Exact",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.12.21"
      },
      value fval { 125120449, 10, -6 }
    },
    {
      urn {
        label "Molecular Formula",
        datatype string,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.12.21"
      },
      value sval "C8H15N"
    },
    {
      urn {
        label "Molecular Weight",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.12.21"
      },
      value fval { 1252114, 10, -4 }
    },
    {
      urn {
        label "SMILES",
        name "Canonical",
        datatype string,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2011.12.21"
      },
      value sval "CN1C2CCCC1CC2"
    },
    {
      urn {
        label "SMILES",
        name "Isomeric",
        datatype string,
        version "1.7.6",
        software "OEChem",
        source "openeye.com",
        release "2011.12.21"
      },
      value sval "CN1[C@@H]2CCC[C@H]1CC2"
    },
    {
      urn {
        label "Topological",
        name "Polar Surface Area",
        datatype double,
        implementation "E_TPSA",
        version "3.384",
        software "Cactvs",
        source "xemistry.com",
        release "2011.12.21"
      },
      value fval { 32, 10, -1 }
    },
    {
      urn {
        label "Weight",
        name "MonoIsotopic",
        datatype double,
        version "2.1",
        software "PubChem",
        source "ncbi.nlm.nih.gov",
        release "2011.12.21"
      },
      value fval { 125120449, 10, -6 }
    }
  },
  count {
    heavy-atom 9,
    atom-chiral 2,
    atom-chiral-def 2,
    atom-chiral-undef 0,
    bond-chiral 0,
    bond-chiral-def 0,
    bond-chiral-undef 0,
    isotope-atom 0,
    covalent-unit 1,
    tautomers 1
  }
}