PC-Compounds ::= {
  {
    id {
      id cid 71201915
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
        18,
        19,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41
      },
      element {
        o,
        n,
        n,
        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
      }
    },
    bonds {
      aid1 {
        1,
        2,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        15,
        16,
        17,
        17,
        18,
        19,
        19,
        20,
        21,
        21,
        21
      },
      aid2 {
        8,
        8,
        11,
        26,
        18,
        20,
        5,
        6,
        7,
        22,
        6,
        8,
        23,
        24,
        25,
        9,
        10,
        12,
        27,
        13,
        28,
        14,
        15,
        29,
        16,
        30,
        16,
        31,
        17,
        18,
        32,
        33,
        34,
        35,
        19,
        36,
        37,
        20,
        38,
        21,
        39,
        40,
        41
      },
      order {
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 4,
        above 5,
        top 7,
        bottom 6,
        below 22,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 4,
        top 8,
        bottom 6,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 2,
        top 15,
        bottom 14,
        below 29,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
          12,
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          14,
          15,
          16,
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          18,
          19,
          20,
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          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41
        },
        conformers {
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            y {
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              { -31602, 10, -4 }
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              { 1349, 10, -3 },
              { -9465, 10, -4 },
              { -16819, 10, -4 },
              { 351, 10, -4 }
            },
            data {
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                value sval "043E747B00000001"
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              {
                urn {
                  label "Energy",
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              {
                urn {
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              {
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                  release "2019.06.18"
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        data {
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            urn {
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          {
            urn {
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    props {
      {
        urn {
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          datatype stringlist,
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          software "OEChem",
          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
        value slist {
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        }
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    },
    count {
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      atom-chiral 3,
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      bond-chiral 0,
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      covalent-unit 1,
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    }
  }
}