PC-Compounds ::= {
  {
    id {
      id cid 28468335
    },
    atoms {
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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,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        9,
        9,
        10,
        10,
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      },
      aid2 {
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        6,
        8,
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        9,
        10,
        11,
        15,
        12,
        16,
        12,
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      },
      order {
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        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 4,
        top 8,
        bottom 6,
        below 13,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          10,
          11,
          12,
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          14,
          15,
          16,
          17,
          18,
          19
        },
        conformers {
          {
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              { 17644, 10, -4 },
              { 14103, 10, -4 },
              { 347, 10, -4 },
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              { -3121, 10, -3 }
            },
            y {
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              { 13323, 10, -4 },
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              { -1, 10, 0 },
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              { 1743, 10, -3 }
            },
            z {
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              { 1914, 10, -4 },
              { -564, 10, -4 },
              { -7095, 10, -4 },
              { 3298, 10, -4 },
              { 1684, 10, -4 },
              { -493, 10, -4 },
              { 1558, 10, -4 },
              { 2233, 10, -4 },
              { -2269, 10, -4 },
              { 464, 10, -4 },
              { -1774, 10, -4 },
              { 13365, 10, -4 },
              { -2029, 10, -4 },
              { 3997, 10, -4 },
              { -3975, 10, -4 },
              { -6268, 10, -4 },
              { -5686, 10, -4 },
              { -3135, 10, -4 }
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            data {
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              {
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              {
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              },
              {
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        data {
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          {
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              release "2010.05.05"
            },
            value ivec {
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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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      {
        urn {
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        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 3
    }
  }
}