PC-Compounds ::= {
  {
    id {
      id cid 5282222
    },
    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
      },
      element {
        o,
        o,
        o,
        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 {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        10,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        18
      },
      aid2 {
        4,
        5,
        9,
        34,
        18,
        5,
        6,
        11,
        7,
        10,
        8,
        12,
        13,
        9,
        19,
        20,
        9,
        21,
        22,
        23,
        24,
        25,
        26,
        14,
        27,
        28,
        29,
        30,
        31,
        32,
        33,
        15,
        35,
        16,
        17,
        36,
        37,
        38,
        18,
        39,
        40
      },
      order {
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 4,
        above 1,
        top 6,
        bottom 5,
        below 11,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 5,
        above 1,
        top 4,
        bottom 7,
        below 10,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 2,
        top 8,
        bottom 7,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 11,
        ltop 4,
        lbottom 27,
        right 14,
        rtop 35,
        rbottom 15,
        parity opposite,
        type planar
      },
      planar {
        left 15,
        ltop 14,
        lbottom 16,
        right 17,
        rtop 18,
        rbottom 39,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
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          6,
          7,
          8,
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          10,
          11,
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          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40
        },
        conformers {
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              { 17435, 10, -4 }
            },
            data {
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        data {
          {
            urn {
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          },
          {
            urn {
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              datatype uintvec,
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            },
            value ivec {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          source "openeye.com",
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      {
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      {
        urn {
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          "1 3 acceptor",
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        }
      }
    },
    count {
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      atom-chiral 3,
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      atom-chiral-undef 0,
      bond-chiral 2,
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      bond-chiral-undef 0,
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      covalent-unit 1,
      tautomers 1
    }
  }
}