PC-Compounds ::= {
  {
    id {
      id cid 56623402
    },
    atoms {
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        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 {
        s,
        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
      }
    },
    bonds {
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        1,
        1,
        2,
        2,
        3,
        4,
        4,
        5,
        6,
        6,
        6,
        7,
        7,
        7,
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        8,
        9,
        9,
        10,
        10,
        10,
        11,
        11,
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        13,
        13,
        14,
        14,
        14,
        16,
        16,
        16,
        17,
        17,
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      },
      aid2 {
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        9,
        11,
        33,
        12,
        15,
        34,
        15,
        7,
        9,
        12,
        8,
        10,
        15,
        13,
        14,
        11,
        18,
        16,
        17,
        19,
        12,
        20,
        21,
        22,
        23,
        24,
        25,
        26,
        27,
        28,
        29,
        30,
        31,
        32
      },
      order {
        single,
        single,
        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,
        single,
        single,
        single
      }
    },
    stereo {
      tetrahedral {
        center 7,
        above 6,
        top 8,
        bottom 10,
        below 15,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 9,
        above 1,
        top 6,
        bottom 11,
        below 18,
        parity clockwise,
        type tetrahedral
      },
      tetrahedral {
        center 11,
        above 2,
        top 12,
        bottom 9,
        below 20,
        parity counterclockwise,
        type tetrahedral
      }
    },
    coords {
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        type {
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        },
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          26,
          27,
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          30,
          31,
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        },
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              {
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              {
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    },
    props {
      {
        urn {
          label "Charge",
          name "MMFF94 Partial",
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          source "OpenEye Scientific Software",
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      {
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          "3 4 5 15 anion",
          "3 8 13 14 hydrophobe",
          "4 6 9 11 12 rings",
          "7 1 6 7 8 9 11 12 rings"
        }
      }
    },
    count {
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      atom-chiral 3,
      atom-chiral-def 3,
      atom-chiral-undef 0,
      bond-chiral 0,
      bond-chiral-def 0,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 4
    }
  }
}