PC-Compounds ::= {
  {
    id {
      id cid 5377538
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        49,
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        51,
        52,
        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60,
        61,
        62
      },
      element {
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        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
        c,
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        c,
        c,
        c,
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        c,
        c,
        c,
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        c,
        c,
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        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
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        1,
        2,
        2,
        3,
        3,
        4,
        5,
        6,
        6,
        7,
        8,
        8,
        9,
        9,
        10,
        11,
        12,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        21,
        22,
        23,
        23,
        24,
        24,
        25,
        26,
        26,
        27,
        27,
        29,
        29,
        30,
        31,
        31,
        31,
        32,
        33,
        34,
        34,
        35,
        37,
        37,
        37,
        38,
        38,
        38,
        40,
        40,
        40
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      aid2 {
        14,
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        16,
        35,
        18,
        28,
        20,
        21,
        33,
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        28,
        30,
        61,
        36,
        62,
        35,
        39,
        13,
        16,
        17,
        18,
        14,
        21,
        41,
        15,
        19,
        16,
        20,
        42,
        43,
        22,
        24,
        44,
        45,
        23,
        26,
        22,
        25,
        27,
        25,
        29,
        28,
        30,
        33,
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        37,
        32,
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        49,
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        36,
        51,
        40,
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        53,
        54,
        55,
        56,
        57,
        58,
        59,
        60
      },
      order {
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        single,
        single,
        single,
        single,
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        double,
        double,
        single,
        single,
        double,
        single,
        single,
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        single,
        single,
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        single,
        single,
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        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 13,
        top 16,
        bottom 17,
        below 18,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 12,
        top 14,
        bottom 21,
        below 41,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 1,
        top 13,
        bottom 15,
        below 19,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 14,
        top 16,
        bottom 20,
        below 42,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 2,
        top 12,
        bottom 15,
        below 43,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          3,
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          6,
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          11,
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          52,
          53,
          54,
          55,
          56,
          57,
          58,
          59,
          60,
          61,
          62
        },
        conformers {
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            y {
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            z {
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              { 14225, 10, -4 }
            },
            data {
              {
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                  release "2009.12.11"
                },
                value sval "00520E0200000004"
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              {
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                }
              },
              {
                urn {
                  label "Shape",
                  name "Multipoles",
                  datatype doublevec,
                  version "1.8.3",
                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              },
              {
                urn {
                  label "Shape",
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                  datatype double,
                  version "2.1",
                  software "PubChem",
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                  release "2012.11.26"
                },
                value fval { 1756135, 10, -3 }
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              {
                urn {
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                  software "OEShape",
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                  release "2012.11.26"
                },
                value fval { 3812, 10, -1 }
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        data {
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            urn {
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            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
              name "ID List",
              datatype uintvec,
              release "2012.02.08"
            },
            value ivec {
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        }
      }
    },
    props {
      {
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          source "openeye.com",
          release "2012.11.26"
        },
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      },
      {
        urn {
          label "Count",
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          software "OEChem",
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        },
        value fval { 36, 10, -1 }
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      {
        urn {
          label "Features",
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          datatype stringlist,
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "6 19 23 26 29 34 36 rings",
          "6 3 12 17 18 24 28 rings",
          "6 6 23 25 29 33 39 rings",
          "8 12 13 14 15 16 17 20 22 rings"
        }
      }
    },
    count {
      heavy-atom 40,
      atom-chiral 5,
      atom-chiral-def 0,
      atom-chiral-undef 5,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 180
    }
  }
}