PC-Compounds ::= {
  {
    id {
      id cid 439197
    },
    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,
        30,
        31,
        32,
        33,
        34,
        35,
        36,
        37,
        38,
        39,
        40
      },
      element {
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
      aid1 {
        1,
        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        7,
        7,
        8,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        13,
        13,
        14,
        14,
        14,
        15,
        15,
        16,
        17,
        17,
        19,
        19,
        20,
        21,
        21,
        21
      },
      aid2 {
        12,
        16,
        13,
        30,
        15,
        33,
        16,
        34,
        17,
        35,
        18,
        39,
        19,
        40,
        18,
        20,
        11,
        20,
        29,
        12,
        13,
        22,
        15,
        23,
        14,
        24,
        16,
        25,
        26,
        17,
        27,
        18,
        19,
        28,
        31,
        32,
        21,
        36,
        37,
        38
      },
      order {
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        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
      }
    },
    stereo {
      tetrahedral {
        center 11,
        above 10,
        top 12,
        bottom 13,
        below 22,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 12,
        above 1,
        top 15,
        bottom 11,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 2,
        top 14,
        bottom 11,
        below 24,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 3,
        top 12,
        bottom 17,
        below 27,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 1,
        top 4,
        bottom 14,
        below 18,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 17,
        above 5,
        top 15,
        bottom 19,
        below 28,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
          threed,
          computed,
          units-angstroms
        },
        aid {
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          2,
          3,
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          6,
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          30,
          31,
          32,
          33,
          34,
          35,
          36,
          37,
          38,
          39,
          40
        },
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            data {
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    count {
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}