PC-Compounds ::= {
  {
    id {
      id cid 68091307
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        3,
        4,
        5,
        5,
        5,
        6,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        15,
        17,
        17,
        17
      },
      aid2 {
        10,
        12,
        9,
        25,
        13,
        27,
        14,
        10,
        14,
        15,
        14,
        16,
        17,
        15,
        16,
        16,
        31,
        11,
        12,
        18,
        11,
        19,
        20,
        21,
        13,
        22,
        23,
        24,
        26,
        28,
        29,
        30
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 9,
        above 2,
        top 11,
        bottom 12,
        below 18,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 1,
        top 5,
        bottom 11,
        below 19,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 1,
        top 9,
        bottom 13,
        below 22,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
        aid {
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          19,
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          21,
          22,
          23,
          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31
        },
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            z {
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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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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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        }
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    },
    count {
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      atom-chiral-def 2,
      atom-chiral-undef 1,
      bond-chiral 0,
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      bond-chiral-undef 0,
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    }
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}