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 ###            TINKER  ---  Software Tools for Molecular Design            ###
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 ##                        Version 6.2  February 2013                        ##
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 ##               Copyright (c)  Jay William Ponder  1990-2013               ##
 ###                           All Rights Reserved                          ###
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 Enter Cartesian Coordinate File Name :  
 Enter Central Atoms of the 1st Torsion : 
 Enter Central Atoms of the 2nd Torsion [Optional, <CR>=None] : 
 Torsions Crossing the Central Bond :

 Torsion    1 :        1-C       5-C       8-O       9-H  
 Torsion    2 :        6-H       5-C       8-O       9-H  
 Torsion    3 :        7-H       5-C       8-O       9-H  

 Choose Torsions for Fitting from Above List :  
 Enter Total Number of Conformations :  
 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   1

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   2

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   3

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   4

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   5

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   6

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   7

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   8

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation   9

 Enter the Name of the Gaussian Output File :  
 Finished Reading Conformation  10

 Relative Conformational Energy (QM)       1      1.7484 Kcal/mole
 Relative Conformational Energy (QM)       2      1.3053 Kcal/mole
 Relative Conformational Energy (QM)       3      0.4383 Kcal/mole
 Relative Conformational Energy (QM)       4      0.0000 Kcal/mole
 Relative Conformational Energy (QM)       5      0.3691 Kcal/mole
 Relative Conformational Energy (QM)       6      1.1594 Kcal/mole
 Relative Conformational Energy (QM)       7      1.5891 Kcal/mole
 Relative Conformational Energy (QM)       8      1.2678 Kcal/mole
 Relative Conformational Energy (QM)       9      0.6029 Kcal/mole
 Relative Conformational Energy (QM)      10      0.2804 Kcal/mole

 Initial Torsional Parameters:

 torsion   40  40  36  37  -1.447   0.531   0.317   0.000   0.000   0.000
 Fixed Torsion        1     5     8     9

 Fitting Torsion Number    1     Flag    0
 Variable   1   1     Variable Flag    T
 Variable   1   2     Variable Flag    T
 Variable   1   3     Variable Flag    T
 Variable   1   4     Variable Flag    F
 Variable   1   5     Variable Flag    F
 Variable   1   6     Variable Flag    F

 All the Torsions Across the Bond :
 Fitting Torsion Number    1     Flag    0
 Fitting Torsion Number    2     Flag    0
 Fitting Torsion Number    3     Flag    0
 Fitting Torsion Value    1    1      0.0001

 Minimizing Structure     1
 Fitting Torsion Value    2    1     19.9998

 Minimizing Structure     2
 Fitting Torsion Value    3    1     39.9998

 Minimizing Structure     3
 Fitting Torsion Value    4    1     59.9999

 Minimizing Structure     4
 Fitting Torsion Value    5    1     79.9999

 Minimizing Structure     5
 Fitting Torsion Value    6    1    100.0000

 Minimizing Structure     6
 Fitting Torsion Value    7    1    119.9999

 Minimizing Structure     7
 Fitting Torsion Value    8    1    140.0001

 Minimizing Structure     8
 Fitting Torsion Value    9    1    159.9999

 Minimizing Structure     9
 Fitting Torsion Value   10    1    179.9999

 Minimizing Structure    10

 Relative Conformational Energy (MM)       1      2.6056 Kcal/mole
 Relative Conformational Energy (MM)       2      2.2985 Kcal/mole
 Relative Conformational Energy (MM)       3      1.5925 Kcal/mole
 Relative Conformational Energy (MM)       4      0.9633 Kcal/mole
 Relative Conformational Energy (MM)       5      0.7426 Kcal/mole
 Relative Conformational Energy (MM)       6      0.8357 Kcal/mole
 Relative Conformational Energy (MM)       7      0.8643 Kcal/mole
 Relative Conformational Energy (MM)       8      0.5940 Kcal/mole
 Relative Conformational Energy (MM)       9      0.1893 Kcal/mole
 Relative Conformational Energy (MM)      10      0.0000 Kcal/mole

 Energy RMS Difference :              0.7385

 Conformation    1     Weight  0.6188
 Conformation    2     Weight  0.4703
 Conformation    3     Weight  0.4716
 Conformation    4     Weight  0.9951
 Conformation    5     Weight  0.5159
 Conformation    6     Weight  0.4967
 Conformation    7     Weight  0.9882
 Conformation    8     Weight  0.5778
 Conformation    9     Weight  0.5773
 Conformation   10     Weight  0.7345

 Derivative :        1   1  1.0000
 Derivative :        1   2  0.0000
 Derivative :        1   3  1.0000
 Energy Difference :       1      0.2272
 Derivative :        2   1  0.9698
 Derivative :        2   2  0.1170
 Derivative :        2   3  0.7500
 Energy Difference :       2      0.3897
 Derivative :        3   1  0.8830
 Derivative :        3   2  0.4132
 Derivative :        3   3  0.2500
 Energy Difference :       3      0.6751
 Derivative :        4   1  0.7500
 Derivative :        4   2  0.7500
 Derivative :        4   3  0.0000
 Energy Difference :       4      0.7763
 Derivative :        5   1  0.5868
 Derivative :        5   2  0.9698
 Derivative :        5   3  0.2500
 Energy Difference :       5      0.6186
 Derivative :        6   1  0.4132
 Derivative :        6   2  0.9698
 Derivative :        6   3  0.7500
 Energy Difference :       6      0.3312
 Derivative :        7   1  0.2500
 Derivative :        7   2  0.7500
 Derivative :        7   3  1.0000
 Energy Difference :       7      0.1287
 Derivative :        8   1  0.1170
 Derivative :        8   2  0.4132
 Derivative :        8   3  0.7500
 Energy Difference :       8      0.1141
 Derivative :        9   1  0.0302
 Derivative :        9   2  0.1170
 Derivative :        9   3  0.2500
 Energy Difference :       9      0.1841
 Derivative :       10   1  0.0000
 Derivative :       10   2  0.0000
 Derivative :       10   3  0.0000
 Energy Difference :      10      0.2196

 Total Variable Number        4

 Matrix A Elements :
       2.3213      1.4930      1.5967      3.0777
       1.4930      2.2615      1.5134      3.0256
       1.5967      1.5134      2.5737      3.1567
       3.0777      3.0256      3.1567      6.4461

 Minimizing Structure    1  with New Parameters
 Minimizing Structure    2  with New Parameters
 Minimizing Structure    3  with New Parameters
 Minimizing Structure    4  with New Parameters
 Minimizing Structure    5  with New Parameters
 Minimizing Structure    6  with New Parameters
 Minimizing Structure    7  with New Parameters
 Minimizing Structure    8  with New Parameters
 Minimizing Structure    9  with New Parameters
 Minimizing Structure   10  with New Parameters

 Relative Conformational Energy (MM)       1      1.7135 Kcal/mole
 Relative Conformational Energy (MM)       2      1.3086 Kcal/mole
 Relative Conformational Energy (MM)       3      0.4738 Kcal/mole
 Relative Conformational Energy (MM)       4      0.0000 Kcal/mole
 Relative Conformational Energy (MM)       5      0.3323 Kcal/mole
 Relative Conformational Energy (MM)       6      1.1254 Kcal/mole
 Relative Conformational Energy (MM)       7      1.5894 Kcal/mole
 Relative Conformational Energy (MM)       8      1.2940 Kcal/mole
 Relative Conformational Energy (MM)       9      0.6017 Kcal/mole
 Relative Conformational Energy (MM)      10      0.2520 Kcal/mole

 Energy RMS With Fitting Parmeters :              0.0255

 Optimized Torsional Parameters:

 torsion   40  40  36  37  -1.888 0.0 1    0.268 180.0 2    0.744 0.0 3
