PC-Compounds ::= {
  {
    id {
      id cid 44629928
    },
    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
      },
      element {
        p,
        o,
        o,
        o,
        o,
        o,
        o,
        n,
        n,
        n,
        n,
        n,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        c,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h,
        h
      }
    },
    bonds {
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        1,
        1,
        1,
        1,
        2,
        2,
        3,
        4,
        5,
        5,
        6,
        8,
        8,
        8,
        9,
        9,
        10,
        10,
        11,
        11,
        12,
        12,
        12,
        13,
        13,
        13,
        14,
        14,
        15,
        15,
        16,
        17,
        17,
        18,
        19,
        20,
        22
      },
      aid2 {
        3,
        4,
        6,
        7,
        14,
        16,
        13,
        17,
        15,
        29,
        31,
        16,
        18,
        19,
        19,
        20,
        18,
        22,
        21,
        22,
        21,
        33,
        34,
        14,
        15,
        23,
        17,
        24,
        16,
        25,
        26,
        27,
        28,
        20,
        30,
        21,
        32
      },
      order {
        single,
        single,
        single,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        double,
        double,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        single,
        double,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 13,
        above 3,
        top 15,
        bottom 14,
        below 23,
        parity counterclockwise,
        type tetrahedral
      },
      tetrahedral {
        center 14,
        above 2,
        top 13,
        bottom 17,
        below 24,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 15,
        above 5,
        top 13,
        bottom 16,
        below 25,
        parity any,
        type tetrahedral
      },
      tetrahedral {
        center 16,
        above 2,
        top 8,
        bottom 15,
        below 26,
        parity clockwise,
        type tetrahedral
      }
    },
    coords {
      {
        type {
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          units-angstroms
        },
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          22,
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          24,
          25,
          26,
          27,
          28,
          29,
          30,
          31,
          32,
          33,
          34
        },
        conformers {
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            data {
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        data {
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    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          software "OEChem",
          source "openeye.com",
          release "2012.11.26"
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          "6 1 3 4 13 14 17 rings",
          "6 10 11 18 20 21 22 rings"
        }
      }
    },
    count {
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      atom-chiral 4,
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    }
  }
}