PC-Compounds ::= {
  {
    id {
      id cid 71315596
    },
    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,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50
      },
      element {
        o,
        o,
        o,
        o,
        o,
        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,
        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,
        5,
        5,
        6,
        7,
        7,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        11,
        12,
        12,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        17,
        19,
        19,
        20,
        21,
        22,
        23,
        24,
        24,
        24,
        25,
        26,
        26,
        27,
        29,
        29,
        30
      },
      aid2 {
        14,
        39,
        15,
        42,
        18,
        20,
        44,
        21,
        45,
        22,
        27,
        48,
        28,
        17,
        40,
        41,
        28,
        49,
        50,
        13,
        14,
        17,
        31,
        13,
        15,
        16,
        32,
        33,
        34,
        18,
        20,
        19,
        24,
        18,
        21,
        22,
        35,
        23,
        26,
        25,
        23,
        25,
        27,
        36,
        37,
        38,
        28,
        29,
        43,
        30,
        30,
        46,
        47
      },
      order {
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 13,
        top 17,
        bottom 14,
        below 31,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 13,
        top 16,
        bottom 15,
        below 32,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 1,
        top 11,
        bottom 18,
        below 20,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 2,
        top 12,
        bottom 19,
        below 24,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 9,
        top 22,
        bottom 11,
        below 35,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
          7,
          8,
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          11,
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          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50
        },
        conformers {
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            data {
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        data {
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          {
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    },
    props {
      {
        urn {
          label "Charge",
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          source "OpenEye Scientific Software",
          release "2019.06.18"
        },
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      {
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      {
        urn {
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          "6 11 12 13 14 16 18 rings",
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          "6 12 15 16 19 21 23 rings",
          "6 19 23 26 27 29 30 rings"
        }
      }
    },
    count {
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      atom-chiral 5,
      atom-chiral-def 5,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}