PC-Compounds ::= {
  {
    id {
      id cid 6436015
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        16,
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        28,
        29,
        30,
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        32,
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        35,
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        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50
      },
      element {
        cl,
        o,
        o,
        o,
        o,
        o,
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        6,
        7,
        7,
        7,
        8,
        9,
        9,
        10,
        10,
        11,
        12,
        12,
        12,
        12,
        13,
        13,
        13,
        15,
        15,
        15,
        16,
        16,
        17,
        18,
        18,
        19,
        20,
        20,
        20,
        21,
        21,
        22,
        22,
        22,
        23,
        23,
        24,
        25,
        26,
        26,
        26,
        27,
        27,
        27
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      aid2 {
        14,
        7,
        25,
        17,
        19,
        8,
        11,
        25,
        8,
        11,
        13,
        9,
        10,
        17,
        14,
        16,
        14,
        15,
        18,
        20,
        28,
        29,
        30,
        31,
        22,
        32,
        33,
        19,
        34,
        36,
        21,
        35,
        23,
        37,
        38,
        39,
        24,
        26,
        40,
        41,
        42,
        24,
        43,
        44,
        27,
        45,
        46,
        47,
        48,
        49,
        50
      },
      order {
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 2,
        top 11,
        bottom 8,
        below 13,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 15,
        top 18,
        bottom 20,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      planar {
        left 18,
        ltop 12,
        lbottom 35,
        right 21,
        rtop 24,
        rbottom 26,
        parity same,
        type planar
      },
      planar {
        left 23,
        ltop 19,
        lbottom 43,
        right 24,
        rtop 44,
        rbottom 21,
        parity opposite,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
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          8,
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          20,
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          22,
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          35,
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          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50
        },
        conformers {
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            z {
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            },
            data {
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              {
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              {
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                  source "openeye.com",
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                },
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              {
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                  release "2012.11.26"
                },
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        data {
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            },
            value fval { 8, 10, -1 }
          },
          {
            urn {
              label "Diverse Conformer",
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            },
            value ivec {
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    props {
      {
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          software "OEChem",
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          release "2012.11.26"
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          "16 -0.15",
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          "19 0.08",
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      },
      {
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          software "OEChem",
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        },
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      },
      {
        urn {
          label "Features",
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          source "openeye.com",
          release "2012.11.26"
        },
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          "1 5 acceptor",
          "1 6 acceptor",
          "6 3 9 10 16 17 19 rings",
          "6 7 8 9 10 11 14 rings"
        }
      }
    },
    count {
      heavy-atom 27,
      atom-chiral 2,
      atom-chiral-def 2,
      atom-chiral-undef 0,
      bond-chiral 2,
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}