PC-Compounds ::= {
  {
    id {
      id cid 66905586
    },
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
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      },
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        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        2,
        2,
        3,
        4,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
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      aid2 {
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        15,
        9,
        16,
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        17,
        11,
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      order {
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        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 4,
        above 5,
        top 6,
        bottom 12,
        below 13,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
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          19,
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        },
        conformers {
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            y {
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              { -11583, 10, -4 },
              { 10633, 10, -4 },
              { -23751, 10, -4 }
            },
            z {
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              { 18817, 10, -4 },
              { -17948, 10, -4 },
              { -1599, 10, -4 }
            },
            data {
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                  release "2012.05.21"
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              {
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              {
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              {
                urn {
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                  software "PubChem",
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                }
              },
              {
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                },
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              {
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        data {
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              release "2012.05.21"
            },
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          {
            urn {
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              datatype uintvec,
              release "2012.05.21"
            },
            value ivec {
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        }
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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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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        }
      }
    },
    count {
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      atom-chiral 1,
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      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}