PC-Compounds ::= {
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    },
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        2,
        3,
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        5,
        6,
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        {
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    bonds {
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        2,
        2,
        3,
        3,
        3,
        3,
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        5,
        5,
        5,
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      },
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
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      }
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        },
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              { 21528, 10, -4 },
              { 6665, 10, -4 },
              { 2797, 10, -3 },
              { 27974, 10, -4 },
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              { -14988, 10, -4 },
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              { -21363, 10, -4 },
              { -15414, 10, -4 }
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            y {
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              { -10438, 10, -4 },
              { 3464, 10, -4 },
              { 2139, 10, -4 },
              { -2605, 10, -4 },
              { -2596, 10, -4 },
              { 13566, 10, -4 },
              { 11983, 10, -4 },
              { -11581, 10, -4 },
              { -797, 10, -4 },
              { 14129, 10, -4 },
              { -13417, 10, -4 },
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            data {
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                  release "2010.05.05"
                },
                value sval "02BAAE0A00000001"
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                  software "PubChem",
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                  "2748010 2 18123472678956424119",
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              {
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.01.18"
                },
                value fval { 1222, 10, -1 }
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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      {
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      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 7,
      covalent-unit 1,
      tautomers 2
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}