PC-Compounds ::= {
  {
    id {
      id cid 72135
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
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        20,
        21,
        22,
        23,
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        25,
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        27,
        28,
        29,
        30,
        31,
        32
      },
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        o,
        o,
        n,
        n,
        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
      }
    },
    bonds {
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        1,
        2,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        6,
        7,
        7,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
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        12,
        12,
        13,
        13,
        14,
        14,
        14,
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      },
      aid2 {
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        11,
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        10,
        15,
        26,
        11,
        15,
        27,
        7,
        8,
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        17,
        10,
        11,
        13,
        12,
        18,
        19,
        20,
        21,
        22,
        14,
        23,
        24,
        16,
        25,
        28,
        29,
        30,
        31,
        32
      },
      order {
        double,
        double,
        double,
        single,
        single,
        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
      }
    },
    stereo {
      tetrahedral {
        center 6,
        above 7,
        top 8,
        bottom 9,
        below 17,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          22,
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          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32
        },
        conformers {
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              { -16429, 10, -4 },
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            y {
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              { -9986, 10, -4 },
              { -4903, 10, -4 },
              { 4666, 10, -4 },
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              { -23453, 10, -4 }
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            data {
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                  release "2012.11.26"
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                urn {
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                },
                value fval { 45713, 10, -3 }
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              {
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              {
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                  release "2012.11.26"
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                value fvec {
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        data {
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          {
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    },
    props {
      {
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          source "openeye.com",
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      },
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      {
        urn {
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          "1 3 acceptor",
          "1 4 donor",
          "1 5 donor",
          "1 9 hydrophobe",
          "6 4 5 7 10 11 15 rings"
        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 0,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 5
    }
  }
}