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  Program version: Pilgrim vv2023.1a (2023-Jun-23)
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          A Thermal Rate Constant Calculator and            
              Kinetic Monte Carlo Simulator                 
                                                            
 -------------------------------------------------------------
  Current date (YY-MM-DD)   : 2025-07-22
  Current time (HH:MM:SS)   : 13:26:24
  Python interpreter version: 3.7.13
 -------------------------------------------------------------


     ---------------------
     KMC basic information
     ---------------------
       Simulation volume      : 6.338E-10 mL
       Time units             : min
       Writing step-time      : 0.01 min
       Total simulation time  : 90.0 min
     
       Initial populations, pop(i;t=0):
           pop(BPA ;t=0) = 5.000E+05 particles (==> 1.31E-06 mol/L)
           pop(H2O ;t=0) = 2.118E+13 particles (==> 5.55E+01 mol/L)
           pop(H4O2;t=0) = 2.118E+13 particles (==> 5.55E+01 mol/L)
           pop(H6O3;t=0) = 2.118E+13 particles (==> 5.55E+01 mol/L)
           pop(OH  ;t=0) = 9.000E+05 particles (==> 2.36E-06 mol/L)
     
       Population of limiting reactant (POP0): 5.000E+05 particles
     
       Rate constants:
           analytic1 for r1C1D.bw    (x2)
           analytic1 for r1C1D.fw    (x2)
           analytic1 for r1C1D_w1.bw (x2)
           analytic1 for r1C1D_w1.fw (x2)
           analytic1 for r1C1D_w2.bw (x2)
           analytic1 for r1C1D_w2.fw (x2)
           analytic1 for r2A2B.bw   
           analytic1 for r2A2B.fw   
           analytic1 for r2A2B_w1.bw
           analytic1 for r2A2B_w1.fw
           analytic1 for r2A2B_w2.bw
           analytic1 for r2A2B_w2.fw
           analytic1 for r2BR09.bw  
           analytic1 for r2BR09.fw  
           analytic1 for r2BR10.bw  
           analytic1 for r2BR10.fw  
           analytic1 for r2BR11.bw  
           analytic1 for r2BR11.fw  
           analytic1 for r3A3B.bw   
           analytic1 for r3A3B.fw   
           analytic1 for r3A3B_w1.bw
           analytic1 for r3A3B_w1.fw
           analytic1 for r3A3B_w2.bw
           analytic1 for r3A3B_w2.fw
           analytic1 for r3BR12.bw  
           analytic1 for r3BR12.fw  
           analytic1 for r3BR13.bw  
           analytic1 for r3BR13.fw  
           analytic1 for r3BR14.bw  
           analytic1 for r3BR14.fw  
           analytic1 for r4A4B.bw   
           analytic1 for r4A4B.fw   
           analytic1 for r4A4B_w1.bw
           analytic1 for r4A4B_w1.fw
           analytic1 for r4A5B.bw   
           analytic1 for r4A5B.fw   
           analytic1 for r4A5B_w1.bw
           analytic1 for r4A5B_w1.fw
           analytic1 for r4B4C.bw   
           analytic1 for r4B4C.fw   
           analytic1 for r4BR08.bw  
           analytic1 for r4BR08.fw  
           analytic1 for r4C4D.bw   
           analytic1 for r4C4D.fw   
           analytic1 for r4C4D_w1.bw
           analytic1 for r4C4D_w1.fw
           analytic1 for r4E4F.bw   
           analytic1 for r4E4F.fw   
           analytic1 for r4E4F_w1.bw
           analytic1 for r4E4F_w1.fw
           analytic1 for r4E4F_w2.bw
           analytic1 for r4E4F_w2.fw
           analytic1 for r5A3B.bw   
           analytic1 for r5A3B.fw   
           analytic1 for r5A3B_w1.bw
           analytic1 for r5A3B_w1.fw
           analytic1 for r5A3B_w2.bw
           analytic1 for r5A3B_w2.fw
           analytic1 for r5BR15.bw  
           analytic1 for r5BR15.fw  
           analytic1 for rBPAR01.bw  (x2)
           analytic1 for rBPAR01.fw  (x2)
           analytic1 for rBPAR02.bw  (x4)
           analytic1 for rBPAR02.fw  (x4)
           analytic1 for rBPAR03.bw  (x4)
           analytic1 for rBPAR03.fw  (x4)
           analytic1 for rBPAR04.bw  (x2)
           analytic1 for rBPAR04.fw  (x2)
           analytic1 for rBPAR05.bw 
           analytic1 for rBPAR05.fw 
           analytic1 for rBPAR06.bw  (x2)
           analytic1 for rBPAR06.fw  (x2)
           analytic1 for rBPAR07.bw  (x2)
           analytic1 for rBPAR07.fw  (x2)
           analytic1 for rR011B.bw  
           analytic1 for rR011B.fw  
           analytic1 for rR022A.bw  
           analytic1 for rR022A.fw  
           analytic1 for rR033A.bw  
           analytic1 for rR033A.fw  
           analytic1 for rR044A.bw   (x2)
           analytic1 for rR044A.fw   (x2)
           analytic1 for rR055A.bw   (x4)
           analytic1 for rR055A.fw   (x4)
           analytic1 for rR055B.bw   (x2)
           analytic1 for rR055B.fw   (x2)
           analytic1 for rR062B.bw  
           analytic1 for rR062B.fw  
           analytic1 for rR073B.bw  
           analytic1 for rR073B.fw  
           analytic1 for rR084E.bw   (x2)
           analytic1 for rR084E.fw   (x2)
           analytic1 for rR093C.bw  
           analytic1 for rR093C.fw  
           analytic1 for rR103E.bw  
           analytic1 for rR103E.fw  
           analytic1 for rR112C.bw  
           analytic1 for rR112C.fw  
           analytic1 for rR123C.bw  
           analytic1 for rR123C.fw  
           analytic1 for rR133D.bw  
           analytic1 for rR133D.fw  
           analytic1 for rR143E.bw  
           analytic1 for rR143E.fw  
           analytic1 for rR155C.bw  
           analytic1 for rR155C.fw  
           analytic1 for rR1A1C.bw   (x2)
           analytic1 for rR1A1C.fw   (x2)
     ---------------------
     
     
     --------------------
      T = 298.150 Kelvin 
     --------------------

         Processes to be considered:
             1D + H2O  --> 1C        (4.454E-52 (cm^3)^1/(molecule^1 sec))
             1C        --> 1D + H2O  (4.180E-31 sec^-1)
             1D + H4O2 --> 1C + H2O  (3.556E-48 (cm^3)^1/(molecule^1 sec))
             1C + H2O  --> 1D + H4O2 (5.352E-50 (cm^3)^1/(molecule^1 sec))
             1D + H6O3 --> 1C + H4O2 (5.582E-42 (cm^3)^1/(molecule^1 sec))
             1C + H4O2 --> 1D + H6O3 (5.764E-47 (cm^3)^1/(molecule^1 sec))
             2B + H2O  --> 2A        (8.673E-75 (cm^3)^1/(molecule^1 sec))
             2A        --> 2B + H2O  (9.703E-25 sec^-1)
             2B + H4O2 --> 2A + H2O  (1.332E-71 (cm^3)^1/(molecule^1 sec))
             2A + H2O  --> 2B + H4O2 (2.390E-44 (cm^3)^1/(molecule^1 sec))
             2B + H6O3 --> 2A + H4O2 (1.377E-75 (cm^3)^1/(molecule^1 sec))
             2A + H4O2 --> 2B + H6O3 (1.695E-51 (cm^3)^1/(molecule^1 sec))
             R09 + H2O --> 2B + OH   (1.061E-19 (cm^3)^1/(molecule^1 sec))
             2B + OH   --> R09 + H2O (1.399E-16 (cm^3)^1/(molecule^1 sec))
             R10 + H2O --> 2B + OH   (3.542E-19 (cm^3)^1/(molecule^1 sec))
             2B + OH   --> R10 + H2O (2.309E-15 (cm^3)^1/(molecule^1 sec))
             R11 + H2O --> 2B + OH   (4.949E-23 (cm^3)^1/(molecule^1 sec))
             2B + OH   --> R11 + H2O (6.120E-16 (cm^3)^1/(molecule^1 sec))
             3B + H2O  --> 3A        (5.010E-73 (cm^3)^1/(molecule^1 sec))
             3A        --> 3B + H2O  (6.377E-22 sec^-1)
             3B + H4O2 --> 3A + H2O  (7.942E-68 (cm^3)^1/(molecule^1 sec))
             3A + H2O  --> 3B + H4O2 (1.621E-39 (cm^3)^1/(molecule^1 sec))
             3B + H6O3 --> 3A + H4O2 (9.553E-66 (cm^3)^1/(molecule^1 sec))
             3A + H4O2 --> 3B + H6O3 (1.338E-40 (cm^3)^1/(molecule^1 sec))
             R12 + H2O --> 3B + OH   (2.312E-20 (cm^3)^1/(molecule^1 sec))
             3B + OH   --> R12 + H2O (3.083E-15 (cm^3)^1/(molecule^1 sec))
             R13 + H2O --> 3B + OH   (5.299E-32 (cm^3)^1/(molecule^1 sec))
             3B + OH   --> R13 + H2O (1.668E-27 (cm^3)^1/(molecule^1 sec))
             R14 + H2O --> 3B + OH   (2.634E-22 (cm^3)^1/(molecule^1 sec))
             3B + OH   --> R14 + H2O (3.986E-16 (cm^3)^1/(molecule^1 sec))
             4B + H2O  --> 4A        (2.029E-36 (cm^3)^1/(molecule^1 sec))
             4A        --> 4B + H2O  (1.102E-17 sec^-1)
             4B + H4O2 --> 4A + H2O  (6.761E-34 (cm^3)^1/(molecule^1 sec))
             4A + H2O  --> 4B + H4O2 (5.889E-38 (cm^3)^1/(molecule^1 sec))
             5B + H2O  --> 4A        (1.064E-45 (cm^3)^1/(molecule^1 sec))
             4A        --> 5B + H2O  (1.421E-14 sec^-1)
             5B + H4O2 --> 4A + H2O  (1.317E-38 (cm^3)^1/(molecule^1 sec))
             4A + H2O  --> 5B + H4O2 (2.821E-30 (cm^3)^1/(molecule^1 sec))
             4C        --> 4B        (4.654E+06 sec^-1)
             4B        --> 4C        (3.696E+05 sec^-1)
             R08 + H2O --> 4B + OH   (8.673E-59 (cm^3)^1/(molecule^1 sec))
             4B + OH   --> R08 + H2O (1.084E-14 (cm^3)^1/(molecule^1 sec))
             4D        --> 4C        (5.951E-14 sec^-1)
             4C        --> 4D        (3.937E-16 sec^-1)
             4D + H2O  --> 4C + H2O  (1.132E-24 (cm^3)^1/(molecule^1 sec))
             4C + H2O  --> 4D + H2O  (7.491E-27 (cm^3)^1/(molecule^1 sec))
             4F        --> 4E        (9.719E-16 sec^-1)
             4E        --> 4F        (1.723E-14 sec^-1)
             4F + H2O  --> 4E + H2O  (5.079E-25 (cm^3)^1/(molecule^1 sec))
             4E + H2O  --> 4F + H2O  (9.003E-24 (cm^3)^1/(molecule^1 sec))
             4F + H4O2 --> 4E + H4O2 (1.680E-20 (cm^3)^1/(molecule^1 sec))
             4E + H4O2 --> 4F + H4O2 (2.978E-19 (cm^3)^1/(molecule^1 sec))
             3B        --> 5A        (6.430E-37 sec^-1)
             5A        --> 3B        (1.403E-20 sec^-1)
             3B + H2O  --> 5A + H2O  (7.640E-46 (cm^3)^1/(molecule^1 sec))
             5A + H2O  --> 3B + H2O  (1.667E-29 (cm^3)^1/(molecule^1 sec))
             3B + H4O2 --> 5A + H4O2 (1.535E-38 (cm^3)^1/(molecule^1 sec))
             5A + H4O2 --> 3B + H4O2 (3.349E-22 (cm^3)^1/(molecule^1 sec))
             R15 + H2O --> 5B + OH   (1.241E-30 (cm^3)^1/(molecule^1 sec))
             5B + OH   --> R15 + H2O (1.419E-19 (cm^3)^1/(molecule^1 sec))
             R01       --> BPA + OH  (7.450E+00 sec^-1)
             BPA + OH  --> R01       (4.390E-13 (cm^3)^1/(molecule^1 sec))
             R02       --> BPA + OH  (8.484E+02 sec^-1)
             BPA + OH  --> R02       (3.410E-12 (cm^3)^1/(molecule^1 sec))
             R03       --> BPA + OH  (5.844E+02 sec^-1)
             BPA + OH  --> R03       (4.520E-11 (cm^3)^1/(molecule^1 sec))
             R04       --> BPA + OH  (4.268E-01 sec^-1)
             BPA + OH  --> R04       (2.428E-12 (cm^3)^1/(molecule^1 sec))
             R05 + H2O --> BPA + OH  (2.962E-36 (cm^3)^1/(molecule^1 sec))
             BPA + OH  --> R05 + H2O (1.226E-11 (cm^3)^1/(molecule^1 sec))
             R06 + H2O --> BPA + OH  (2.228E-22 (cm^3)^1/(molecule^1 sec))
             BPA + OH  --> R06 + H2O (2.986E-15 (cm^3)^1/(molecule^1 sec))
             R07 + H2O --> BPA + OH  (1.722E-19 (cm^3)^1/(molecule^1 sec))
             BPA + OH  --> R07 + H2O (1.796E-14 (cm^3)^1/(molecule^1 sec))
             1B + R1A  --> R01       (5.658E-31 (cm^3)^1/(molecule^1 sec))
             R01       --> 1B + R1A  (1.822E+04 sec^-1)
             2A        --> R02 + OH  (1.545E-33 sec^-1)
             R02 + OH  --> 2A        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             3A        --> R03 + OH  (4.469E-30 sec^-1)
             R03 + OH  --> 3A        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             4A        --> R04 + OH  (3.862E-31 sec^-1)
             R04 + OH  --> 4A        (2.464E-11 (cm^3)^1/(molecule^1 sec))
             5A        --> R05 + OH  (2.837E-25 sec^-1)
             R05 + OH  --> 5A        (4.928E-11 (cm^3)^1/(molecule^1 sec))
             5B        --> R05 + OH  (3.964E-24 sec^-1)
             R05 + OH  --> 5B        (2.464E-11 (cm^3)^1/(molecule^1 sec))
             2B        --> R06 + OH  (4.287E-62 sec^-1)
             R06 + OH  --> 2B        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             3B        --> R07 + OH  (3.924E-64 sec^-1)
             R07 + OH  --> 3B        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             4E        --> R08 + OH  (4.878E-38 sec^-1)
             R08 + OH  --> 4E        (2.464E-11 (cm^3)^1/(molecule^1 sec))
             3C        --> R09 + OH  (5.363E-63 sec^-1)
             R09 + OH  --> 3C        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             3E        --> R10 + OH  (1.252E-63 sec^-1)
             R10 + OH  --> 3E        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             2C        --> R11 + OH  (4.005E-58 sec^-1)
             R11 + OH  --> 2C        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             3C        --> R12 + OH  (4.618E-61 sec^-1)
             R12 + OH  --> 3C        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             3D        --> R13 + OH  (3.645E-64 sec^-1)
             R13 + OH  --> 3D        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             3E        --> R14 + OH  (2.471E-61 sec^-1)
             R14 + OH  --> 3E        (1.232E-11 (cm^3)^1/(molecule^1 sec))
             5C + R1A  --> R15       (3.649E-26 (cm^3)^1/(molecule^1 sec))
             R15       --> 5C + R1A  (5.232E+13 sec^-1)
             1C        --> R1A + OH  (5.880E-42 sec^-1)
             R1A + OH  --> 1C        (2.464E-11 (cm^3)^1/(molecule^1 sec))
         
         Evolution of populations(s) with time:
         
              time (min) |  0.000E+00 |  1.000E-02 |  2.001E-02 |  3.001E-02 |  4.002E-02 
              step       |          0 |    1414593 |    1417802 |    1420636 |    1422778 
             -----------------------------------------------------------------------------
              1B         |   0.00E+00 |   4.64E+03 |   4.65E+03 |   4.65E+03 |   4.66E+03 
              1C         |   0.00E+00 |   3.99E+03 |   4.00E+03 |   4.01E+03 |   4.01E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   0.00E+00 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   0.00E+00 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   0.00E+00 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   0.00E+00 |   8.21E+04 |   8.24E+04 |   8.25E+04 |   8.26E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   0.00E+00 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   0.00E+00 |   1.16E+02 |   1.60E+01 |   1.90E+01 |   9.00E+00 
              5B         |   0.00E+00 |   4.08E+04 |   4.08E+04 |   4.09E+04 |   4.09E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   5.00E+05 |   4.53E+04 |   4.56E+04 |   4.58E+04 |   4.59E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   9.00E+05 |   1.00E+00 |   1.00E+00 |   1.00E+00 |   1.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   0.00E+00 |   3.00E+00 |   2.00E+00 |   2.00E+00 |   0.00E+00 
              R04        |   0.00E+00 |   2.41E+03 |   1.91E+03 |   1.48E+03 |   1.17E+03 
              R05        |   0.00E+00 |   6.28E+03 |   6.33E+03 |   6.37E+03 |   6.39E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   0.00E+00 |   6.47E+02 |   6.51E+02 |   6.46E+02 |   6.45E+02 
         
         
              time (min) |  5.002E-02 |  6.003E-02 |  7.003E-02 |  8.009E-02 |  9.012E-02 
              step       |    1424318 |    1425559 |    1426402 |    1427028 |    1427681 
             -----------------------------------------------------------------------------
              1B         |   4.66E+03 |   4.67E+03 |   4.67E+03 |   4.67E+03 |   4.67E+03 
              1C         |   4.01E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   8.27E+04 |   8.27E+04 |   8.28E+04 |   8.28E+04 |   8.28E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   5.00E+00 |   9.00E+00 |   4.00E+00 |   3.00E+00 |   3.00E+00 
              5B         |   4.09E+04 |   4.10E+04 |   4.10E+04 |   4.10E+04 |   4.10E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   4.60E+04 |   4.61E+04 |   4.62E+04 |   4.62E+04 |   4.63E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   1.00E+00 |   0.00E+00 |   2.00E+00 |   1.00E+00 |   1.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   3.00E+00 |   1.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R04        |   9.23E+02 |   7.28E+02 |   5.88E+02 |   4.82E+02 |   3.80E+02 
              R05        |   6.39E+03 |   6.40E+03 |   6.39E+03 |   6.40E+03 |   6.41E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   6.50E+02 |   6.50E+02 |   6.51E+02 |   6.50E+02 |   6.49E+02 
         
         
              time (min) |  1.003E-01 |  1.104E-01 |  1.207E-01 |  1.310E-01 |  1.413E-01 
              step       |    1428274 |    1428708 |    1428917 |    1429179 |    1429361 
             -----------------------------------------------------------------------------
              1B         |   4.67E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 
              1C         |   4.02E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   8.28E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   1.00E+00 |   1.00E+00 |   0.00E+00 |   1.00E+00 |   1.00E+00 
              5B         |   4.10E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   4.63E+04 |   4.64E+04 |   4.64E+04 |   4.64E+04 |   4.64E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   1.00E+00 |   1.00E+00 |   1.00E+00 |   1.00E+00 |   1.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R04        |   2.92E+02 |   2.28E+02 |   1.96E+02 |   1.56E+02 |   1.31E+02 
              R05        |   6.41E+03 |   6.40E+03 |   6.41E+03 |   6.42E+03 |   6.42E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   6.51E+02 |   6.52E+02 |   6.54E+02 |   6.56E+02 |   6.56E+02 
         
         
              time (min) |  1.518E-01 |  1.618E-01 |  1.728E-01 |  1.834E-01 |  1.934E-01 
              step       |    1429498 |    1429712 |    1429878 |    1429927 |    1430015 
             -----------------------------------------------------------------------------
              1B         |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 
              1C         |   4.02E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   1.00E+00 |   0.00E+00 |   1.00E+00 |   0.00E+00 |   0.00E+00 
              5B         |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   4.64E+04 |   4.64E+04 |   4.64E+04 |   4.64E+04 |   4.64E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   1.00E+00 |   1.00E+00 |   1.00E+00 |   1.00E+00 |   1.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R04        |   1.09E+02 |   8.30E+01 |   6.10E+01 |   5.30E+01 |   4.10E+01 
              R05        |   6.42E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   6.57E+02 |   6.56E+02 |   6.56E+02 |   6.56E+02 |   6.57E+02 
         
         
              time (min) |  2.036E-01 |  2.137E-01 |  2.252E-01 |  2.391E-01 |  2.543E-01 
              step       |    1430073 |    1430113 |    1430157 |    1430186 |    1430218 
             -----------------------------------------------------------------------------
              1B         |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 
              1C         |   4.02E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 |   4.02E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5B         |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   4.64E+04 |   4.64E+04 |   4.64E+04 |   4.64E+04 |   4.65E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   1.00E+00 |   1.00E+00 |   0.00E+00 |   1.00E+00 |   1.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R04        |   3.30E+01 |   2.50E+01 |   2.10E+01 |   1.50E+01 |   1.10E+01 
              R05        |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   6.58E+02 |   6.58E+02 |   6.58E+02 |   6.57E+02 |   6.57E+02 
         
         
              time (min) |  2.702E-01 |  2.879E-01 |  3.001E-01 |  3.221E-01 |  3.445E-01 
              step       |    1430239 |    1430242 |    1430244 |    1430246 |    1430252 
             -----------------------------------------------------------------------------
              1B         |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 
              1C         |   4.03E+03 |   4.03E+03 |   4.03E+03 |   4.03E+03 |   4.03E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5B         |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   4.65E+04 |   4.65E+04 |   4.65E+04 |   4.65E+04 |   4.65E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   1.00E+00 |   1.00E+00 |   1.00E+00 |   1.00E+00 |   1.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R04        |   5.00E+00 |   4.00E+00 |   3.00E+00 |   2.00E+00 |   1.00E+00 
              R05        |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   6.56E+02 |   6.56E+02 |   6.56E+02 |   6.56E+02 |   6.56E+02 
         
         
              time (min) |  4.276E-01 |  6.057E-01 |  5.079E+01 |  5.187E+01 |  6.008E+01 
              step       |    1430265 |    1430267 |    1430269 |    1430270 |    1430271 
             -----------------------------------------------------------------------------
              1B         |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 
              1C         |   4.03E+03 |   4.03E+03 |   4.03E+03 |   4.03E+03 |   4.03E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5B         |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   4.65E+04 |   4.65E+04 |   4.65E+04 |   4.65E+04 |   4.65E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   1.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R04        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R05        |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   6.56E+02 |   6.56E+02 |   6.56E+02 |   6.56E+02 |   6.56E+02 
         
         
              time (min) |  6.235E+01 |  6.936E+01 |  7.894E+01 |  7.939E+01 |  8.292E+01 
              step       |    1430272 |    1430273 |    1430274 |    1430275 |    1430276 
             -----------------------------------------------------------------------------
              1B         |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 |   4.68E+03 
              1C         |   4.03E+03 |   4.03E+03 |   4.03E+03 |   4.03E+03 |   4.03E+03 
              1D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              2A         |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 |   1.94E+04 
              2B         |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 |   2.40E+01 
              2C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3A         |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 |   2.77E+05 
              3B         |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 |   8.29E+04 
              3C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              3E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4A         |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 |   2.20E+04 
              4B         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4D         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4E         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              4F         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5A         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              5B         |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 |   4.11E+04 
              5C         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              BPA        |   4.65E+04 |   4.65E+04 |   4.65E+04 |   4.65E+04 |   4.65E+04 
              H2O        |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H4O2       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              H6O3       |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 |   2.12E+13 
              OH         |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R01        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R02        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R03        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R04        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R05        |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 |   6.43E+03 
              R06        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R07        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R08        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R09        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R10        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R11        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R12        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R13        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R14        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R15        |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 |   0.00E+00 
              R1A        |   6.56E+02 |   6.56E+02 |   6.56E+02 |   6.56E+02 |   6.56E+02 
         
         
              time (min) |  9.896E+01 
              step       |    1430277 
             -------------------------
              1B         |   4.68E+03 
              1C         |   4.03E+03 
              1D         |   0.00E+00 
              2A         |   1.94E+04 
              2B         |   2.40E+01 
              2C         |   0.00E+00 
              3A         |   2.77E+05 
              3B         |   8.29E+04 
              3C         |   0.00E+00 
              3D         |   0.00E+00 
              3E         |   0.00E+00 
              4A         |   2.20E+04 
              4B         |   0.00E+00 
              4C         |   0.00E+00 
              4D         |   0.00E+00 
              4E         |   0.00E+00 
              4F         |   0.00E+00 
              5A         |   0.00E+00 
              5B         |   4.11E+04 
              5C         |   0.00E+00 
              BPA        |   4.65E+04 
              H2O        |   2.12E+13 
              H4O2       |   2.12E+13 
              H6O3       |   2.12E+13 
              OH         |   0.00E+00 
              R01        |   0.00E+00 
              R02        |   0.00E+00 
              R03        |   0.00E+00 
              R04        |   0.00E+00 
              R05        |   6.43E+03 
              R06        |   0.00E+00 
              R07        |   0.00E+00 
              R08        |   0.00E+00 
              R09        |   0.00E+00 
              R10        |   0.00E+00 
              R11        |   0.00E+00 
              R12        |   0.00E+00 
              R13        |   0.00E+00 
              R14        |   0.00E+00 
              R15        |   0.00E+00 
              R1A        |   6.56E+02 
         

     ------------------------
      Simulation time in min 
     ------------------------
     
          ---------------------
            T (K)  | sim. time 
          ---------------------
            298.15 |  9.90E+01 
          ---------------------
     
     
     ----------------------------
      Final ratios (pop(i)/POP0) 
     ----------------------------
     
          -----------------------------------------------------------
            T (K)  |      1B |      1C |      1D |      2A |      2B 
          -----------------------------------------------------------
            298.15 |   0.009 |   0.008 |   0.000 |   0.039 |   0.000 
          -----------------------------------------------------------
     
          -----------------------------------------------------------
            T (K)  |      2C |      3A |      3B |      3C |      3D 
          -----------------------------------------------------------
            298.15 |   0.000 |   0.554 |   0.166 |   0.000 |   0.000 
          -----------------------------------------------------------
     
          -----------------------------------------------------------
            T (K)  |      3E |      4A |      4B |      4C |      4D 
          -----------------------------------------------------------
            298.15 |   0.000 |   0.044 |   0.000 |   0.000 |   0.000 
          -----------------------------------------------------------
     
          -----------------------------------------------------------
            T (K)  |      4E |      4F |      5A |      5B |      5C 
          -----------------------------------------------------------
            298.15 |   0.000 |   0.000 |   0.000 |   0.082 |   0.000 
          -----------------------------------------------------------
     
          -----------------------------------------------------------
            T (K)  |     BPA |     H2O |    H4O2 |    H6O3 |      OH 
          -----------------------------------------------------------
            298.15 |   0.093 | 4.2E+07 | 4.2E+07 | 4.2E+07 |   0.000 
          -----------------------------------------------------------
     
          -----------------------------------------------------------
            T (K)  |     R01 |     R02 |     R03 |     R04 |     R05 
          -----------------------------------------------------------
            298.15 |   0.000 |   0.000 |   0.000 |   0.000 |   0.013 
          -----------------------------------------------------------
     
          -----------------------------------------------------------
            T (K)  |     R06 |     R07 |     R08 |     R09 |     R10 
          -----------------------------------------------------------
            298.15 |   0.000 |   0.000 |   0.000 |   0.000 |   0.000 
          -----------------------------------------------------------
     
          -----------------------------------------------------------
            T (K)  |     R11 |     R12 |     R13 |     R14 |     R15 
          -----------------------------------------------------------
            298.15 |   0.000 |   0.000 |   0.000 |   0.000 |   0.000 
          -----------------------------------------------------------
     
          -------------------
            T (K)  |     R1A 
          -------------------
            298.15 |   0.001 
          -------------------
     
     
WARNING! THREE LINES ARE BEING COMMENTED! UNDO THIS!!
                                                            ----------------------------
                                                            | Current date: 2025-07-22 |
                                                            | Current time:   13:28:03 |
                                                            | Elapsed time:   1.6 mins |
                                                            ----------------------------
