PC-Compounds ::= {
  {
    id {
      id cid 60193454
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
        17,
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        20,
        21,
        22,
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        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49
      },
      element {
        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,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        13,
        13,
        14,
        14,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        27,
        27,
        27
      },
      aid2 {
        12,
        14,
        39,
        22,
        27,
        6,
        9,
        12,
        15,
        7,
        14,
        28,
        9,
        13,
        29,
        10,
        11,
        12,
        30,
        15,
        31,
        11,
        32,
        33,
        34,
        35,
        16,
        17,
        36,
        37,
        18,
        19,
        20,
        38,
        21,
        40,
        22,
        23,
        21,
        41,
        42,
        24,
        25,
        43,
        26,
        44,
        26,
        45,
        46,
        47,
        48,
        49
      },
      order {
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        triple,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 4,
        top 7,
        bottom 14,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 7,
        above 6,
        top 9,
        bottom 13,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 4,
        top 15,
        bottom 7,
        below 31,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
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          11,
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          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
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              { 448, 10, -3 },
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              { -24146, 10, -4 },
              { -33677, 10, -4 }
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            z {
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              { 7036, 10, -4 }
            },
            data {
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        data {
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            urn {
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            value fval { 8, 10, -1 }
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          {
            urn {
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    },
    props {
      {
        urn {
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          name "MMFF94 Partial",
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          source "OpenEye Scientific Software",
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        },
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        urn {
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        }
      }
    },
    count {
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      atom-chiral 3,
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    }
  }
}