PC-Compounds ::= {
  {
    id {
      id cid 23516940
    },
    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,
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      },
      element {
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        o,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        2,
        3,
        3,
        3,
        4,
        4,
        4,
        5,
        5,
        5,
        5,
        6,
        6,
        7,
        7,
        9,
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        10,
        11,
        11,
        11,
        12,
        13,
        13,
        14,
        14,
        15,
        16
      },
      aid2 {
        15,
        8,
        6,
        11,
        20,
        8,
        10,
        21,
        6,
        7,
        8,
        9,
        17,
        18,
        10,
        13,
        12,
        19,
        14,
        12,
        22,
        23,
        24,
        15,
        25,
        16,
        26,
        16,
        27
      },
      order {
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 5,
        above 6,
        top 8,
        bottom 7,
        below 9,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          17,
          18,
          19,
          20,
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          22,
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        },
        conformers {
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            y {
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            z {
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              { 334, 10, -4 },
              { -15, 10, -3 }
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            data {
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              {
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              {
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                },
                value fvec {
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        data {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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      {
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      {
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          "6 3 5 6 9 11 12 rings",
          "6 7 10 13 14 15 16 rings"
        }
      }
    },
    count {
      heavy-atom 16,
      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 2
    }
  }
}