File: Cis_complete_pathway.yaml

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--- # PES
# Double S addition
   Reaction: [Int-I+TolS+TolSH, Int-II+TolSH, Int-III] 

--- # SPECIES
   Int-I     : Int-I_*
   TolS      : TolS
   TolSH     : TolSH
   Int-II    : Int-II_*
   Int-III   : Int-III_*

--- # FORMAT
   zero: Int-I+TolS+TolSH
   dec : 1
   units: kcal/mol