PC-Compounds ::= {
  {
    id {
      id cid 68116068
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        15,
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        19,
        20,
        21,
        22,
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        25,
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        27,
        28,
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        30,
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        32,
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        34,
        35,
        36,
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        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48,
        49,
        50,
        51,
        52,
        53,
        54,
        55
      },
      element {
        cl,
        cl,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
        h,
        h,
        h,
        h,
        h,
        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,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        18,
        18,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        23,
        24,
        24,
        24,
        25,
        26,
        26,
        27,
        27,
        27
      },
      aid2 {
        23,
        23,
        16,
        22,
        12,
        48,
        17,
        49,
        22,
        25,
        13,
        25,
        43,
        26,
        54,
        55,
        11,
        12,
        18,
        19,
        13,
        15,
        28,
        14,
        29,
        16,
        30,
        17,
        20,
        21,
        17,
        22,
        23,
        24,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        44,
        45,
        46,
        47,
        26,
        27,
        50,
        51,
        52,
        53
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 10,
        top 13,
        bottom 15,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 4,
        top 10,
        bottom 14,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 8,
        top 16,
        bottom 11,
        below 30,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 3,
        top 13,
        bottom 23,
        below 24,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 26,
        above 9,
        top 27,
        bottom 25,
        below 50,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53,
          54,
          55
        },
        conformers {
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            data {
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        data {
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          {
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    },
    props {
      {
        urn {
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          source "OpenEye Scientific Software",
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      {
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      {
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          "3 10 18 19 hydrophobe",
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          "6 10 11 12 14 15 17 rings",
          "6 3 11 13 15 16 22 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,
      tautomers 6
    }
  }
}