PC-Compounds ::= {
  {
    id {
      id cid 70963169
    },
    atoms {
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        2,
        3,
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        44,
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        o,
        o,
        o,
        o,
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        c,
        c,
        c,
        c,
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        c,
        c,
        c,
        c,
        c,
        c,
        c,
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        h,
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        h,
        h,
        h,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        2,
        3,
        4,
        4,
        5,
        6,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        9,
        10,
        10,
        11,
        11,
        13,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        15,
        16,
        16,
        16,
        17,
        17,
        17,
        18,
        19,
        19,
        19,
        21,
        21,
        23,
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        25,
        25,
        26,
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        27
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        20,
        22,
        49,
        22,
        10,
        12,
        14,
        11,
        18,
        30,
        11,
        28,
        12,
        29,
        15,
        16,
        17,
        20,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40,
        41,
        19,
        21,
        22,
        42,
        23,
        24,
        25,
        43,
        26,
        44,
        27,
        46,
        27,
        47,
        48
      },
      order {
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        single,
        double,
        double,
        single,
        single,
        double,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
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        single,
        single,
        double,
        single,
        double,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 10,
        above 1,
        top 8,
        bottom 11,
        below 28,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 9,
        top 10,
        bottom 12,
        below 29,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 19,
        above 18,
        top 21,
        bottom 22,
        below 42,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          39,
          40,
          41,
          42,
          43,
          44,
          45,
          46,
          47,
          48,
          49
        },
        conformers {
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            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 Scientific Software",
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        },
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          "11 0.28",
          "12 0.58",
          "13 0.23",
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      {
        urn {
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          "3 4 5 20 anion",
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          "4 13 15 16 17 hydrophobe",
          "4 8 10 11 12 rings",
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        }
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    },
    count {
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      bond-chiral 0,
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    }
  }
}