PC-Compounds ::= {
  {
    id {
      id cid 152226
    },
    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
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        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,
        4,
        5,
        5,
        6,
        6,
        7,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        14,
        14,
        14,
        15,
        15,
        15
      },
      aid2 {
        11,
        12,
        12,
        14,
        8,
        21,
        9,
        22,
        10,
        23,
        13,
        29,
        13,
        9,
        10,
        16,
        11,
        17,
        12,
        18,
        13,
        19,
        20,
        15,
        24,
        25,
        26,
        27,
        28
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 8,
        above 3,
        top 9,
        bottom 10,
        below 16,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 4,
        top 8,
        bottom 11,
        below 17,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 10,
        above 5,
        top 12,
        bottom 8,
        below 18,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 1,
        top 9,
        bottom 13,
        below 19,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 1,
        top 2,
        bottom 10,
        below 20,
        parity any,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          20,
          21,
          22,
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          24,
          25,
          26,
          27,
          28,
          29
        },
        conformers {
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            y {
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              { -11055, 10, -4 },
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              { -13693, 10, -4 },
              { -4853, 10, -4 },
              { -28044, 10, -4 }
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            z {
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              { -76, 10, -3 },
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              { -107, 10, -4 }
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            data {
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              {
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        data {
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          {
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    },
    props {
      {
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        value fval { 42, 10, -1 }
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          "1 6 acceptor",
          "1 7 acceptor",
          "3 6 7 13 anion",
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        }
      }
    },
    count {
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      atom-chiral 5,
      atom-chiral-def 4,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
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  }
}