PC-Compounds ::= {
  {
    id {
      id cid 70150320
    },
    atoms {
      aid {
        1,
        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
        13,
        14,
        15,
        16,
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        20,
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        22,
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        42,
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        44,
        45,
        46,
        47,
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        50,
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      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        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
      },
      charge {
        {
          aid 6,
          value -1
        },
        {
          aid 10,
          value 1
        }
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        4,
        5,
        5,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        16,
        18,
        20,
        20,
        20,
        21,
        21,
        22,
        22,
        24,
        24,
        25,
        26,
        26,
        26,
        27,
        27,
        28,
        28,
        29,
        29,
        30,
        31,
        32,
        33,
        33,
        33
      },
      aid2 {
        21,
        23,
        11,
        44,
        19,
        23,
        30,
        33,
        10,
        10,
        13,
        14,
        19,
        17,
        25,
        32,
        12,
        20,
        23,
        15,
        18,
        17,
        18,
        16,
        34,
        35,
        19,
        21,
        17,
        22,
        36,
        26,
        37,
        38,
        39,
        40,
        24,
        27,
        25,
        28,
        29,
        41,
        42,
        43,
        32,
        45,
        30,
        46,
        31,
        47,
        31,
        48,
        49,
        50,
        51,
        52
      },
      order {
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 2,
        top 20,
        bottom 12,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      planar {
        left 27,
        ltop 22,
        lbottom 45,
        right 32,
        rtop 10,
        rbottom 49,
        parity any,
        type planar
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
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          8,
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          42,
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          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52
        },
        conformers {
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            z {
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            data {
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                },
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              {
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              {
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                  release "2012.11.26"
                },
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                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 1401163, 10, -3 }
              },
              {
                urn {
                  label "Shape",
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        data {
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          {
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            },
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    props {
      {
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          name "MMFF94 Partial",
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          source "openeye.com",
          release "2012.11.26"
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      {
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        },
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      {
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        },
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          "1 7 acceptor",
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          "5 8 13 14 16 17 rings",
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          "6 24 25 28 29 30 31 rings",
          "6 8 12 13 15 18 19 rings",
          "6 9 16 17 22 24 25 rings"
        }
      }
    },
    count {
      heavy-atom 33,
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      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 1,
      bond-chiral-def 0,
      bond-chiral-undef 1,
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      covalent-unit 1,
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    }
  }
}