PC-Compounds ::= {
  {
    id {
      id cid 1227498
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
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        40,
        41,
        42,
        43,
        44
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        f,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
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        2,
        3,
        3,
        4,
        5,
        5,
        6,
        7,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        12,
        12,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
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        17,
        17,
        18,
        18,
        19,
        19,
        20,
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        22,
        22,
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        25,
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        26,
        26,
        27,
        28,
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        12,
        10,
        10,
        11,
        13,
        17,
        16,
        18,
        14,
        31,
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        20,
        21,
        22,
        32,
        33,
        34,
        35,
        23,
        36,
        21,
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        25,
        26,
        38,
        24,
        29,
        24,
        39,
        27,
        40,
        28,
        41,
        30,
        30,
        42,
        43
      },
      order {
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
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        single,
        single,
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        single,
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        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      planar {
        left 9,
        ltop 10,
        lbottom 11,
        right 13,
        rtop 14,
        rbottom 31,
        parity any,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          4,
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          8,
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          10,
          11,
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          34,
          35,
          36,
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          38,
          39,
          40,
          41,
          42,
          43,
          44
        },
        conformers {
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              { -3302, 10, -4 }
            },
            data {
              {
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                },
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              {
                urn {
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                },
                value fval { 50807, 10, -3 }
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              {
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                },
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              {
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                },
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              {
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                  release "2012.11.26"
                },
                value fval { 312, 10, 0 }
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        data {
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            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
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            },
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    },
    props {
      {
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        },
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      },
      {
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          release "2012.11.26"
        },
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      {
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          software "OEShape",
          source "openeye.com",
          release "2012.11.26"
        },
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          "5 3 14 15 19 21 rings",
          "5 7 8 9 10 11 rings",
          "6 12 16 18 22 23 24 rings",
          "6 20 25 26 27 28 30 rings"
        }
      }
    },
    count {
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      atom-chiral 0,
      atom-chiral-def 0,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}