PC-Compounds ::= {
  {
    id {
      id cid 177236
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
        8,
        9,
        10,
        11,
        12,
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        18,
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        41,
        42,
        43,
        44,
        45,
        46,
        47,
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        49,
        50,
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        52
      },
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        o,
        o,
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        c,
        c,
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        c,
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        h,
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        h,
        h,
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        h,
        h,
        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,
        6,
        6,
        7,
        7,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        18,
        18,
        18,
        19,
        19,
        20,
        20,
        21,
        21,
        22,
        22,
        23,
        24,
        26,
        27,
        28,
        29,
        29,
        29,
        30,
        30,
        30
      },
      aid2 {
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        18,
        10,
        25,
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        45,
        17,
        26,
        29,
        27,
        30,
        25,
        26,
        25,
        27,
        10,
        11,
        12,
        17,
        31,
        13,
        15,
        14,
        16,
        19,
        32,
        20,
        33,
        21,
        34,
        22,
        35,
        36,
        37,
        38,
        23,
        39,
        24,
        40,
        23,
        41,
        24,
        42,
        43,
        44,
        28,
        28,
        46,
        47,
        48,
        49,
        50,
        51,
        52
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
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        single,
        single,
        single,
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        double,
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        single,
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        double,
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        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 2,
        top 9,
        bottom 17,
        below 31,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
          1,
          2,
          3,
          4,
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          6,
          7,
          8,
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          10,
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          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52
        },
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              { -12227, 10, -4 }
            },
            data {
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              },
              {
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              {
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        data {
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          {
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    },
    props {
      {
        urn {
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
        },
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          "29 0.28",
          "3 -0.65",
          "30 0.28",
          "32 0.15",
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      {
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        }
      }
    },
    count {
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      atom-chiral 1,
      atom-chiral-def 1,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
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      covalent-unit 1,
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    }
  }
}