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                  { 18, 10, -2 },
                  { 319, 10, -1 },
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                  { 458, 10, -2 },
                  { -33, 10, -2 },
                  { -274, 10, -2 },
                  { 25, 10, -2 },
                  { 114, 10, -2 }
                }
              },
              {
                urn {
                  label "Shape",
                  name "Self Overlap",
                  datatype double,
                  version "2.1",
                  software "PubChem",
                  source "ncbi.nlm.nih.gov",
                  release "2012.11.26"
                },
                value fval { 1721064, 10, -3 }
              },
              {
                urn {
                  label "Shape",
                  name "Volume",
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                  software "OEShape",
                  source "openeye.com",
                  release "2012.11.26"
                },
                value fval { 4848, 10, -1 }
              }
            }
          }
        },
        data {
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              label "Conformer",
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            },
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          },
          {
            urn {
              label "Diverse Conformer",
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            },
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        },
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          source "openeye.com",
          release "2012.11.26"
        },
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          "6 16 17 18 19 20 21 rings",
          "6 2 3 4 5 6 7 rings"
        }
      }
    },
    count {
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      atom-chiral 2,
      atom-chiral-def 0,
      atom-chiral-undef 2,
      bond-chiral 8,
      bond-chiral-def 8,
      bond-chiral-undef 0,
      isotope-atom 0,
      covalent-unit 1,
      tautomers 1
    }
  }
}