*********** Geometrical Differences of the 1st and 2nd Molecule ***********
   
Note that atom numbering systems may be different between two molecules.
In all case, atom numbering system of the 1st molecule is used in the list.
   
***************************************************************************
1st molecule: D:\personal\Suenaga\MyMoMo\F10d29\PDB\GamessPM3_Benzene.pdb
2nd molecule: D:\personal\Suenaga\MyMoMo\F10d29\PDB\GamessPM3_Toluene.pdb
   
 Atom 1  -   Atom 2      Bond Length    Bond Length   Difference
of the 1st molecule      of the 1st     of the 2nd
----------------------------------------------------------------
 C    1  -   C    2       1.391061       1.396446      -0.005385
 C    1  -   C    6       1.391561       1.396446      -0.004885
 C    1  -   H    7       1.095000       1.485022      -0.390022
 C    2  -   C    1       1.391061       1.396446      -0.005385
 C    2  -   C    3       1.391000       1.390024       0.000976
 C    2  -   H    8       1.094127       1.096236      -0.002110
 C    3  -   C    2       1.391000       1.390024       0.000976
 C    3  -   C    4       1.390695       1.390339       0.000356
 C    3  -   H    9       1.094492       1.094863      -0.000371
 C    4  -   C    3       1.390695       1.390339       0.000356
 C    4  -   C    5       1.391061       1.391205      -0.000144
 C    4  -   H   10       1.095000       1.094007       0.000993
 C    5  -   C    4       1.391061       1.391205      -0.000144
 C    5  -   C    6       1.391000       1.390026       0.000974
 C    5  -   H   11       1.094492       1.095362      -0.000870
 C    6  -   C    1       1.391561       1.396446      -0.004885
 C    6  -   C    5       1.391000       1.390026       0.000974
 C    6  -   H   12       1.094492       1.094871      -0.000379
 H    7  -   C    1       1.095000       1.485022      -0.390022
 H    8  -   C    2       1.094127       1.096236      -0.002110
 H    9  -   C    3       1.094492       1.094863      -0.000371
 H   10  -   C    4       1.095000       1.094007       0.000993
 H   11  -   C    5       1.094492       1.095362      -0.000870
 H   12  -   C    6       1.094492       1.094871      -0.000379
----------------------------------------------------------------
The largest difference in bond length : C1-H7     -0.390022
----------------------------------------------------------------
   
   
 Atom 1  -   Atom 2  -   Atom 3     Bond Angle     Bond Angle     Difference
of the 1st molecule                 of the 1st     of the 2nd
----------------------------------------------------------------------------
 C    1  -   C    2  -   C    3     119.974778     120.191908      -0.217130
 C    1  -   C    2  -   H    8     119.968565     119.791894       0.176671
 C    1  -   C    6  -   C    5     119.969255     120.150689      -0.181434
 C    1  -   C    6  -   H   12     120.004428     119.811131       0.193297
 C    2  -   C    1  -   C    6     120.014777     119.451232       0.563545
 C    2  -   C    1  -   H    7     119.974778     120.272827      -0.298049
 C    2  -   C    3  -   C    4     120.031051     120.170398      -0.139347
 C    2  -   C    3  -   H    9     119.985127     119.831580       0.153547
 C    3  -   C    2  -   C    1     119.974778     120.191908      -0.217130
 C    3  -   C    2  -   H    8     120.056657     120.016169       0.040488
 C    3  -   C    4  -   C    5     119.994170     119.844661       0.149510
 C    3  -   C    4  -   H   10     120.031051     120.087788      -0.056736
 C    4  -   C    3  -   C    2     120.031051     120.170398      -0.139347
 C    4  -   C    3  -   H    9     119.983821     119.998010      -0.014189
 C    4  -   C    5  -   C    6     120.015969     120.190970      -0.175002
 C    4  -   C    5  -   H   11     120.040094     119.973319       0.066775
 C    5  -   C    4  -   C    3     119.994170     119.844661       0.149510
 C    5  -   C    4  -   H   10     119.974778     120.067141      -0.092363
 C    5  -   C    6  -   C    1     119.969255     120.150689      -0.181434
 C    5  -   C    6  -   H   12     120.026318     120.038151      -0.011833
 C    6  -   C    1  -   C    2     120.014777     119.451232       0.563545
 C    6  -   C    1  -   H    7     120.010445     120.272827      -0.262382
 C    6  -   C    5  -   C    4     120.015969     120.190970      -0.175002
 C    6  -   C    5  -   H   11     119.943937     119.835699       0.108238
 H    7  -   C    1  -   C    2     119.974778     120.272827      -0.298049
 H    7  -   C    1  -   C    6     120.010445     120.272827      -0.262382
 H    8  -   C    2  -   C    1     119.968565     119.791894       0.176671
 H    8  -   C    2  -   C    3     120.056657     120.016169       0.040488
 H    9  -   C    3  -   C    2     119.985127     119.831580       0.153547
 H    9  -   C    3  -   C    4     119.983821     119.998010      -0.014189
 H   10  -   C    4  -   C    3     120.031051     120.087788      -0.056736
 H   10  -   C    4  -   C    5     119.974778     120.067141      -0.092363
 H   11  -   C    5  -   C    4     120.040094     119.973319       0.066775
 H   11  -   C    5  -   C    6     119.943937     119.835699       0.108238
 H   12  -   C    6  -   C    1     120.004428     119.811131       0.193297
 H   12  -   C    6  -   C    5     120.026318     120.038151      -0.011833
----------------------------------------------------------------------------
The largest difference in bond angle : C2-C1-C6      0.563545
----------------------------------------------------------------------------
   
   
 Atom 1  -   Atom 2  -   Atom 3  -   Atom 4    Dihedral Angle   Dihedral Angle   Difference
of the 1st molecule                            of the 1st       of the 2nd
-------------------------------------------------------------------------------------------
 C    1  -   C    2  -   C    3  -   C    4       0.000000          0.002809      -0.002809
 C    1  -   C    2  -   C    3  -   H    9     180.000000        179.958666       0.041334
 C    1  -   C    6  -   C    5  -   C    4       0.000000          0.002808      -0.002808
 C    1  -   C    6  -   C    5  -   H   11     180.000000        179.959030       0.040970
 C    2  -   C    1  -   C    6  -   C    5       0.000000          0.098992      -0.098992
 C    2  -   C    1  -   C    6  -   H   12     180.000000        179.838769       0.161231
 C    2  -   C    3  -   C    4  -   C    5       0.000000          0.093985      -0.093985
 C    2  -   C    3  -   C    4  -   H   10     180.000000        179.861084       0.138916
 C    3  -   C    2  -   C    1  -   C    6       0.000000          0.099034      -0.099034
 C    3  -   C    2  -   C    1  -   H    7     180.000000        179.260857       0.739143
 C    3  -   C    4  -   C    5  -   C    6       0.000000          0.094005      -0.094005
 C    3  -   C    4  -   C    5  -   H   11     180.000000        179.944210       0.055790
 C    4  -   C    3  -   C    2  -   C    1       0.000000          0.002809      -0.002809
 C    4  -   C    3  -   C    2  -   H    8     180.000000        179.935343       0.064657
 C    4  -   C    5  -   C    6  -   C    1       0.000000          0.002808      -0.002808
 C    4  -   C    5  -   C    6  -   H   12     180.000000        179.934811       0.065189
 C    5  -   C    4  -   C    3  -   C    2       0.000000          0.093985      -0.093985
 C    5  -   C    4  -   C    3  -   H    9     180.000000        179.944604       0.055396
 C    5  -   C    6  -   C    1  -   C    2       0.000000          0.098992      -0.098992
 C    5  -   C    6  -   C    1  -   H    7     180.000000        179.260898       0.739102
 C    6  -   C    1  -   C    2  -   C    3       0.000000          0.099034      -0.099034
 C    6  -   C    1  -   C    2  -   H    8     180.000000        179.839257       0.160743
 C    6  -   C    5  -   C    4  -   C    3       0.000000          0.094005      -0.094005
 C    6  -   C    5  -   C    4  -   H   10     180.000000        179.861152       0.138848
 H    7  -   C    1  -   C    2  -   C    3     180.000000        179.260857       0.739143
 H    7  -   C    1  -   C    2  -   H    8       0.000000          0.800852      -0.800852
 H    7  -   C    1  -   C    6  -   C    5     180.000000        179.260898       0.739102
 H    7  -   C    1  -   C    6  -   H   12       0.000000          0.801341      -0.801341
 H    8  -   C    2  -   C    1  -   C    6     180.000000        179.839257       0.160743
 H    8  -   C    2  -   C    1  -   H    7       0.000000          0.800852      -0.800852
 H    8  -   C    2  -   C    3  -   C    4     180.000000        179.935343       0.064657
 H    8  -   C    2  -   C    3  -   H    9       0.000000          0.103182      -0.103182
 H    9  -   C    3  -   C    2  -   C    1     180.000000        179.958666       0.041334
 H    9  -   C    3  -   C    2  -   H    8       0.000000          0.103182      -0.103182
 H    9  -   C    3  -   C    4  -   C    5     180.000000        179.944604       0.055396
 H    9  -   C    3  -   C    4  -   H   10       0.000000          0.177505      -0.177505
 H   10  -   C    4  -   C    3  -   C    2     180.000000        179.861084       0.138916
 H   10  -   C    4  -   C    3  -   H    9       0.000000          0.177505      -0.177505
 H   10  -   C    4  -   C    5  -   C    6     180.000000        179.861152       0.138848
 H   10  -   C    4  -   C    5  -   H   11       0.000000          0.177063      -0.177063
 H   11  -   C    5  -   C    4  -   C    3     180.000000        179.944210       0.055790
 H   11  -   C    5  -   C    4  -   H   10       0.000000          0.177063      -0.177063
 H   11  -   C    5  -   C    6  -   C    1     180.000000        179.959030       0.040970
 H   11  -   C    5  -   C    6  -   H   12       0.000000          0.103351      -0.103351
 H   12  -   C    6  -   C    1  -   C    2     180.000000        179.838769       0.161231
 H   12  -   C    6  -   C    1  -   H    7       0.000000          0.801341      -0.801341
 H   12  -   C    6  -   C    5  -   C    4     180.000000        179.934811       0.065189
 H   12  -   C    6  -   C    5  -   H   11       0.000000          0.103351      -0.103351
-------------------------------------------------------------------------------------------
The largest difference in dihedral angle : H7-C1-C6-H12     -0.801341
-------------------------------------------------------------------------------------------
