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Table 1 list of classical atom properties for the molecule in Fig. 4

From: MET: a Java package for fast molecule equivalence testing

  Atom 1 Atom 2 Atom 3 Atom 4 Atom 5 Atom 6
Atomic number 6 6 6 17 8 7
Count of hydrogens 2 0 0 0 0 2
Count of deuterium 0 0 0 0 0 0
Formal charge 0 0 0 0 0 0
Count of single electrons 0 0 0 0 0 0
Count of single bonds 0 2 2 1 0 1
Count of double bonds 1 1 1 0 1 0
Count of triple bond 0 0 0 0 0 0