old_contents: # Data sources
  database(
      thermoLibraries = ['primaryThermoLibrary'],
      reactionLibraries = [],
      seedMechanisms = [],
      kineticsDepositories = ['training'], #  'all', 'default'==['training'], [], 
      kineticsFamilies = ['!Intra_Disproportionation','!Substitution_O'],
      kineticsEstimator = 'rate rules',
  )
  
  # List of species
  species(
      label='n-decylbz',
      reactive=True,
      structure=SMILES("CCCCCCCCCCc1ccccc1"),
  )
  species(
      label='n-C11',
      reactive=True,
      structure=SMILES("CCCCCCCCCCC"),
  )
  species(
      label='n-C13',
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCC"),
  )
  species(
      label='n-C16',
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCCCCC"),
  )
  species(
      label='n-C19',
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCCCCCCCC"),
  )
  species(
      label='n-C21',
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCCCCCCCCCC"),
  )
  species(
      label='1M-napthalene',
      reactive=True,
      structure=SMILES("Cc1cccc2ccccc12"),
  )
  species(
      label='O2',
      reactive=True,
      structure=SMILES("O=O"),
  )
  
  # Reaction systems
  simpleReactor(
      temperature=(500,'K'),
      pressure=(201.0,'bar'),
      initialMoleFractions={
          "n-C11": 0.05,
          "n-C13": 0.19,
          "n-C16": 0.25,
          "n-C19": 0.18,
          "n-C21": 0.10,
          "n-decylbz": 0.12,
          "1M-napthalene": 0.1,
          "O2": 0.05,
      },
      terminationConversion={
          'O2': 0.5,
      },
      terminationTime=(3600,'s'),
  )
  
  simulator(
      atol=1e-16,
      rtol=1e-8,
  )
  
  model(
      toleranceKeepInEdge=0.0001,
      toleranceMoveToCore=0.01,
      toleranceInterruptSimulation=0.5,
      maximumEdgeSpecies=1000
  )
  
  options(
      units='si',
      saveRestartPeriod=None,
      drawMolecules=False,
      generatePlots=False,
  )
  
new_contents: # Data sources
  database(
      thermoLibraries = ['primaryThermoLibrary'],
      reactionLibraries = [],
      seedMechanisms = [],
      kineticsDepositories = ['training'], #  'all', 'default'==['training'], [], 
      kineticsFamilies = ['!Intra_Disproportionation','!Substitution_O'],
      kineticsEstimator = 'rate rules',
  )
  
  # List of species
  species(
      label='n-decylbz',
      multiplicity = 1,
      reactive=True,
      structure=SMILES("CCCCCCCCCCc1ccccc1"),
  )
  species(
      label='n-C11',
      multiplicity = 1,
      reactive=True,
      structure=SMILES("CCCCCCCCCCC"),
  )
  species(
      label='n-C13',
      multiplicity = 1,
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCC"),
  )
  species(
      label='n-C16',
      multiplicity = 1,
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCCCCC"),
  )
  species(
      label='n-C19',
      multiplicity = 1,
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCCCCCCCC"),
  )
  species(
      label='n-C21',
      multiplicity = 1,
      reactive=True,
      structure=SMILES("CCCCCCCCCCCCCCCCCCCCC"),
  )
  species(
      label='1M-napthalene',
      multiplicity = 1,
      reactive=True,
      structure=SMILES("Cc1cccc2ccccc12"),
  )
  species(
      label='O2',
      multiplicity = 3,
      reactive=True,
      structure=SMILES("[O][O]"),
  )
  
  # Reaction systems
  simpleReactor(
      temperature=(500,'K'),
      pressure=(201.0,'bar'),
      initialMoleFractions={
          "n-C11": 0.05,
          "n-C13": 0.19,
          "n-C16": 0.25,
          "n-C19": 0.18,
          "n-C21": 0.10,
          "n-decylbz": 0.12,
          "1M-napthalene": 0.1,
          "O2": 0.05,
      },
      terminationConversion={
          'O2': 0.5,
      },
      terminationTime=(3600,'s'),
  )
  
  simulator(
      atol=1e-16,
      rtol=1e-8,
  )
  
  model(
      toleranceKeepInEdge=0.0001,
      toleranceMoveToCore=0.01,
      toleranceInterruptSimulation=0.5,
      maximumEdgeSpecies=1000
  )
  
  options(
      units='si',
      saveRestartPeriod=None,
      drawMolecules=False,
      generatePlots=False,
  )
  
subject: Update RMG example diesel with multiplicity label