PC-Compounds ::= {
  {
    id {
      id cid 60192909
    },
    atoms {
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        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
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        19,
        20,
        21,
        22,
        23,
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        25,
        26,
        27,
        28,
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        30,
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        35,
        36,
        37,
        38,
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        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53
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      element {
        s,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        c,
        c,
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        c,
        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        1,
        1,
        2,
        2,
        5,
        5,
        6,
        7,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        26,
        26,
        27,
        27,
        28,
        28,
        29,
        29,
        30,
        30,
        31
      },
      aid2 {
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        4,
        5,
        14,
        11,
        38,
        8,
        9,
        12,
        8,
        9,
        10,
        32,
        11,
        33,
        12,
        34,
        13,
        15,
        35,
        36,
        16,
        18,
        19,
        20,
        17,
        37,
        21,
        39,
        21,
        40,
        24,
        41,
        22,
        42,
        23,
        43,
        44,
        25,
        45,
        25,
        46,
        26,
        47,
        48,
        27,
        28,
        29,
        49,
        30,
        50,
        31,
        51,
        31,
        52,
        53
      },
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        double,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 8,
        top 9,
        bottom 10,
        below 32,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 8,
        above 5,
        top 7,
        bottom 11,
        below 33,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 5,
        top 12,
        bottom 7,
        below 34,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 18,
        ltop 13,
        lbottom 41,
        right 24,
        rtop 47,
        rbottom 26,
        parity opposite,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          4,
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          6,
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          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
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            z {
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            data {
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                  label "Energy",
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              {
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                  label "Shape",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fvec {
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                  release "2012.11.26"
                },
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              {
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                  release "2012.11.26"
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        data {
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            },
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          {
            urn {
              label "Diverse Conformer",
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              datatype uintvec,
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            },
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    props {
      {
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          software "OEChem",
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          release "2012.11.26"
        },
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        }
      },
      {
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          label "Count",
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        },
        value fval { 68, 10, -1 }
      },
      {
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          label "Features",
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          "6 14 19 20 22 23 25 rings",
          "6 26 27 28 29 30 31 rings"
        }
      }
    },
    count {
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      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 1,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}