PC-Compounds ::= {
  {
    id {
      id cid 46874453
    },
    atoms {
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        2,
        3,
        4,
        5,
        6,
        7,
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        10,
        11,
        12,
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        o,
        o,
        o,
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        n,
        n,
        n,
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        n,
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        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
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    },
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        1,
        2,
        2,
        3,
        3,
        4,
        4,
        5,
        5,
        6,
        6,
        6,
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        7,
        8,
        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
        11,
        12,
        12,
        12,
        13,
        14,
        14,
        15,
        15,
        16,
        16,
        17,
        18,
        19,
        22,
        22,
        22,
        22,
        23,
        23,
        24,
        24,
        25,
        25,
        26,
        27,
        28,
        28,
        29,
        29,
        30,
        30,
        31
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      aid2 {
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        15,
        12,
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        14,
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        16,
        41,
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        13,
        17,
        18,
        18,
        19,
        17,
        21,
        20,
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        47,
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        26,
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        32,
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        15,
        34,
        16,
        35,
        36,
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        19,
        40,
        20,
        23,
        24,
        42,
        43,
        25,
        27,
        44,
        45,
        26,
        28,
        29,
        46,
        30,
        50,
        31,
        51,
        31,
        52,
        53
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        double,
        single,
        single,
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        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
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        single,
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        single,
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        single,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 12,
        above 2,
        top 14,
        bottom 13,
        below 32,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 13,
        above 1,
        top 6,
        bottom 12,
        below 33,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 3,
        top 15,
        bottom 12,
        below 34,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 1,
        top 16,
        bottom 14,
        below 35,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          computed,
          units-angstroms
        },
        aid {
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          44,
          45,
          46,
          47,
          48,
          49,
          50,
          51,
          52,
          53
        },
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          "1 3 acceptor",
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          "3 6 7 18 cation",
          "3 6 8 17 cation",
          "3 8 9 21 cation",
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          "5 11 23 25 26 27 rings",
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          "6 25 26 28 29 30 31 rings",
          "6 8 9 17 19 20 21 rings"
        }
      }
    },
    count {
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      atom-chiral 4,
      atom-chiral-def 3,
      atom-chiral-undef 1,
      bond-chiral 0,
      bond-chiral-def 0,
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    }
  }
}