PC-Compounds ::= {
  {
    id {
      id cid 1118937
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        16,
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        20,
        21,
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        24,
        25,
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        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        42,
        43,
        44,
        45,
        46
      },
      element {
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        o,
        o,
        o,
        n,
        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
      },
      charge {
        {
          aid 3,
          value -1
        },
        {
          aid 7,
          value 1
        }
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        11,
        11,
        12,
        14,
        14,
        15,
        16,
        16,
        17,
        17,
        18,
        18,
        19,
        20,
        20,
        20,
        21,
        21,
        21,
        22,
        23,
        23,
        24,
        25,
        25,
        26,
        26,
        27
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      aid2 {
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        13,
        7,
        7,
        8,
        13,
        29,
        15,
        27,
        22,
        9,
        10,
        28,
        12,
        14,
        16,
        18,
        13,
        20,
        21,
        30,
        15,
        19,
        31,
        17,
        22,
        32,
        19,
        25,
        23,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        24,
        24,
        41,
        42,
        26,
        43,
        27,
        45,
        46
      },
      order {
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 5,
        top 10,
        bottom 9,
        below 28,
        parity counterclockwise,
        type tetrahedral
      }
    },
    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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          11,
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          30,
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          34,
          35,
          36,
          37,
          38,
          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46
        },
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              { 367, 10, -3 },
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              { -25889, 10, -4 }
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            data {
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              {
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        data {
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            value fval { 8, 10, -1 }
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          {
            urn {
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    },
    props {
      {
        urn {
          label "Charge",
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          release "2012.11.26"
        },
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      {
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          "3 11 20 21 hydrophobe",
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          "6 6 15 17 25 26 27 rings",
          "6 9 12 14 15 17 19 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
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      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
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    }
  }
}