PC-Compounds ::= {
  {
    id {
      id cid 11244847
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
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        17,
        18,
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        29,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        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
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        7,
        7,
        7,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        15,
        15,
        16,
        16,
        17,
        18,
        19,
        19,
        20,
        21,
        22,
        22,
        23,
        23,
        23,
        24,
        24,
        25,
        25,
        25
      },
      aid2 {
        7,
        11,
        8,
        18,
        9,
        35,
        14,
        20,
        18,
        20,
        8,
        12,
        13,
        9,
        26,
        10,
        27,
        11,
        14,
        15,
        28,
        29,
        30,
        31,
        32,
        33,
        16,
        17,
        34,
        17,
        19,
        36,
        22,
        21,
        37,
        21,
        38,
        23,
        24,
        39,
        40,
        41,
        25,
        42,
        43,
        44,
        45
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 2,
        top 7,
        bottom 9,
        below 26,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 3,
        top 8,
        bottom 10,
        below 27,
        parity clockwise,
        type tetrahedral
      },
      planar {
        left 22,
        ltop 18,
        lbottom 23,
        right 24,
        rtop 25,
        rbottom 42,
        parity same,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
          4,
          5,
          6,
          7,
          8,
          9,
          10,
          11,
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          18,
          19,
          20,
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          22,
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          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45
        },
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              { -1439, 10, -4 }
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              { -15968, 10, -4 },
              { -15862, 10, -4 },
              { -4694, 10, -4 }
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            data {
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              {
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        data {
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          {
            urn {
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            },
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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      {
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        },
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          "3 7 12 13 hydrophobe",
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          "6 10 11 14 15 16 17 rings",
          "6 4 14 16 19 20 21 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
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      atom-chiral-undef 0,
      bond-chiral 1,
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      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}