PC-Compounds ::= {
  {
    id {
      id cid 125516
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        29,
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        36,
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        38,
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        40,
        41,
        42,
        43,
        44,
        45,
        46,
        47,
        48
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        o,
        o,
        o,
        o,
        o,
        n,
        n,
        c,
        c,
        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
      }
    },
    bonds {
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        1,
        2,
        3,
        3,
        4,
        4,
        5,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        18,
        19,
        19,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        22
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        18,
        23,
        47,
        24,
        48,
        23,
        24,
        9,
        15,
        17,
        10,
        16,
        18,
        11,
        23,
        25,
        12,
        24,
        26,
        13,
        27,
        28,
        14,
        29,
        30,
        15,
        31,
        32,
        16,
        33,
        34,
        35,
        36,
        37,
        38,
        19,
        20,
        21,
        39,
        40,
        22,
        41,
        42,
        22,
        43,
        44,
        45,
        46
      },
      order {
        double,
        double,
        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,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 7,
        top 23,
        bottom 11,
        below 25,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 8,
        top 24,
        bottom 12,
        below 26,
        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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          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48
        },
        conformers {
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        data {
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          "3 3 5 23 anion",
          "3 4 6 24 anion",
          "4 19 20 21 22 hydrophobe",
          "5 7 9 11 13 15 rings",
          "5 8 10 12 14 16 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
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      atom-chiral-undef 0,
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      bond-chiral-def 0,
      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}