PC-Compounds ::= {
  {
    id {
      id cid 45082511
    },
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
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      },
      element {
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        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        1,
        2,
        2,
        3,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
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        8,
        8,
        9,
        9
      },
      aid2 {
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        9,
        18,
        10,
        19,
        10,
        6,
        7,
        15,
        8,
        10,
        11,
        9,
        12,
        13,
        14,
        16,
        17
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 5,
        top 8,
        bottom 10,
        below 11,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 1,
        top 9,
        bottom 5,
        below 12,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          15,
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          18,
          19
        },
        conformers {
          {
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              { -36027, 10, -4 },
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              { 25521, 10, -4 },
              { -853, 10, -4 },
              { 7077, 10, -4 },
              { -14522, 10, -4 },
              { 4363, 10, -4 },
              { -22988, 10, -4 },
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              { 6955, 10, -4 },
              { -779, 10, -4 },
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              { -18903, 10, -4 },
              { -41263, 10, -4 },
              { 38901, 10, -4 }
            },
            y {
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              { 2669, 10, -4 },
              { -5468, 10, -4 },
              { 11923, 10, -4 },
              { 8394, 10, -4 },
              { -1041, 10, -4 },
              { 2988, 10, -4 },
              { -15111, 10, -4 },
              { 8082, 10, -4 },
              { 2735, 10, -4 },
              { 4, 10, -4 },
              { 5863, 10, -4 },
              { -17307, 10, -4 },
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              { 524, 10, -3 },
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              { -3159, 10, -4 }
            },
            z {
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              { 7638, 10, -4 }
            },
            data {
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              {
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                  source "openeye.com",
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                  software "PubChem",
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                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
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              },
              {
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                value fvec {
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              {
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              {
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        data {
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          {
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    props {
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        urn {
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          name "MMFF94 Partial",
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          version "1.9.0",
          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
        value slist {
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          "18 0.4",
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      },
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      {
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          "5 1 5 6 7 8 rings"
        }
      }
    },
    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 1
    }
  }
}