PC-Compounds ::= {
  {
    id {
      id cid 10313196
    },
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
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      },
      element {
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        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
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        h,
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        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        2,
        2,
        2,
        3,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
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        9,
        9,
        9,
        10,
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        10
      },
      aid2 {
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        27,
        4,
        5,
        7,
        11,
        6,
        8,
        12,
        9,
        13,
        14,
        10,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25
      },
      order {
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        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 3,
        above 4,
        top 7,
        bottom 5,
        below 11,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 4,
        above 3,
        top 6,
        bottom 8,
        below 12,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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        },
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        },
        conformers {
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              { -1124, 10, -4 },
              { 24014, 10, -4 },
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              { -14532, 10, -4 },
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              { -4956, 10, -4 },
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              { -2593, 10, -4 },
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              { -9559, 10, -4 },
              { -11999, 10, -4 },
              { -22295, 10, -4 },
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              { -25155, 10, -4 }
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            y {
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              { -8249, 10, -4 },
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              { -33579, 10, -4 },
              { -20833, 10, -4 },
              { 10769, 10, -4 },
              { 16496, 10, -4 }
            },
            z {
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              { 8097, 10, -4 },
              { 1508, 10, -4 },
              { -23191, 10, -4 },
              { -17432, 10, -4 }
            },
            data {
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                  version "2.1",
                  software "PubChem",
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                  release "2009.12.11"
                },
                value sval "009D5DEC00000001"
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              {
                urn {
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                  name "MMFF94 NoEstat",
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                  version "1.7.2",
                  software "Szybki",
                  source "openeye.com",
                  release "2012.11.26"
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                value fval { 154877, 10, -4 }
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              {
                urn {
                  label "Feature",
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                  software "PubChem",
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                },
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              {
                urn {
                  label "Fingerprint",
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                  version "2.1",
                  software "PubChem",
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              },
              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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              },
              {
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                  software "PubChem",
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                value fval { 358985, 10, -3 }
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              {
                urn {
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        data {
          {
            urn {
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            },
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          },
          {
            urn {
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              datatype uintvec,
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    },
    props {
      {
        urn {
          label "Charge",
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          software "OEChem",
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          release "2012.11.26"
        },
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      {
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        },
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      {
        urn {
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        },
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          "4 3 4 5 6 hydrophobe"
        }
      }
    },
    count {
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      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 2
    }
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}