*********** 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\TinkerMM3_Benzene.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       1.342688       0.048373
 C    1  -   C    6       1.391561       1.341822       0.049739
 C    1  -   H    7       1.095000       1.104000      -0.009000
 C    2  -   C    1       1.391061       1.342688       0.048373
 C    2  -   C    3       1.391000       1.341000       0.050000
 C    2  -   H    8       1.094127       1.104421      -0.010294
 C    3  -   C    2       1.391000       1.341000       0.050000
 C    3  -   C    4       1.390695       1.342322       0.048373
 C    3  -   H    9       1.094492       1.104786      -0.010294
 C    4  -   C    3       1.390695       1.342322       0.048373
 C    4  -   C    5       1.391061       1.342688       0.048373
 C    4  -   H   10       1.095000       1.104000      -0.009000
 C    5  -   C    4       1.391061       1.342688       0.048373
 C    5  -   C    6       1.391000       1.342000       0.049000
 C    5  -   H   11       1.094492       1.103920      -0.009428
 C    6  -   C    1       1.391561       1.341822       0.049739
 C    6  -   C    5       1.391000       1.342000       0.049000
 C    6  -   H   12       1.094492       1.103421      -0.008928
 H    7  -   C    1       1.095000       1.104000      -0.009000
 H    8  -   C    2       1.094127       1.104421      -0.010294
 H    9  -   C    3       1.094492       1.104786      -0.010294
 H   10  -   C    4       1.095000       1.104000      -0.009000
 H   11  -   C    5       1.094492       1.103920      -0.009428
 H   12  -   C    6       1.094492       1.103421      -0.008928
----------------------------------------------------------------
The largest difference in bond length : C2-C3      0.050000
----------------------------------------------------------------
   
   
 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     119.983061      -0.008283
 C    1  -   C    2  -   H    8     119.968565     119.969623      -0.001058
 C    1  -   C    6  -   C    5     119.969255     120.004400      -0.035145
 C    1  -   C    6  -   H   12     120.004428     120.038179      -0.033751
 C    2  -   C    1  -   C    6     120.014777     120.012539       0.002238
 C    2  -   C    1  -   H    7     119.974778     119.983061      -0.008283
 C    2  -   C    3  -   C    4     120.031051     120.041364      -0.010313
 C    2  -   C    3  -   H    9     119.985127     119.976456       0.008671
 C    3  -   C    2  -   C    1     119.974778     119.983061      -0.008283
 C    3  -   C    2  -   H    8     120.056657     120.047316       0.009341
 C    3  -   C    4  -   C    5     119.994170     119.975575       0.018595
 C    3  -   C    4  -   H   10     120.031051     120.041364      -0.010313
 C    4  -   C    3  -   C    2     120.031051     120.041364      -0.010313
 C    4  -   C    3  -   H    9     119.983821     119.982180       0.001641
 C    4  -   C    5  -   C    6     120.015969     119.983061       0.032908
 C    4  -   C    5  -   H   11     120.040094     120.014550       0.025544
 C    5  -   C    4  -   C    3     119.994170     119.975575       0.018595
 C    5  -   C    4  -   H   10     119.974778     119.983061      -0.008283
 C    5  -   C    6  -   C    1     119.969255     120.004400      -0.035145
 C    5  -   C    6  -   H   12     120.026318     119.957421       0.068897
 C    6  -   C    1  -   C    2     120.014777     120.012539       0.002238
 C    6  -   C    1  -   H    7     120.010445     120.004400       0.006045
 C    6  -   C    5  -   C    4     120.015969     119.983061       0.032908
 C    6  -   C    5  -   H   11     119.943937     120.002389      -0.058452
 H    7  -   C    1  -   C    2     119.974778     119.983061      -0.008283
 H    7  -   C    1  -   C    6     120.010445     120.004400       0.006045
 H    8  -   C    2  -   C    1     119.968565     119.969623      -0.001058
 H    8  -   C    2  -   C    3     120.056657     120.047316       0.009341
 H    9  -   C    3  -   C    2     119.985127     119.976456       0.008671
 H    9  -   C    3  -   C    4     119.983821     119.982180       0.001641
 H   10  -   C    4  -   C    3     120.031051     120.041364      -0.010313
 H   10  -   C    4  -   C    5     119.974778     119.983061      -0.008283
 H   11  -   C    5  -   C    4     120.040094     120.014550       0.025544
 H   11  -   C    5  -   C    6     119.943937     120.002389      -0.058452
 H   12  -   C    6  -   C    1     120.004428     120.038179      -0.033751
 H   12  -   C    6  -   C    5     120.026318     119.957421       0.068897
----------------------------------------------------------------------------
The largest difference in bond angle : C5-C6-H12      0.068897
----------------------------------------------------------------------------
   
   
 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          0.000000       0.000000
 C    1  -   C    2  -   C    3  -   H    9     180.000000        180.000000       0.000000
 C    1  -   C    6  -   C    5  -   C    4       0.000000          0.000000       0.000000
 C    1  -   C    6  -   C    5  -   H   11     180.000000        180.000000       0.000000
 C    2  -   C    1  -   C    6  -   C    5       0.000000          0.000000       0.000000
 C    2  -   C    1  -   C    6  -   H   12     180.000000        180.000000       0.000000
 C    2  -   C    3  -   C    4  -   C    5       0.000000          0.000000       0.000000
 C    2  -   C    3  -   C    4  -   H   10     180.000000        180.000000       0.000000
 C    3  -   C    2  -   C    1  -   C    6       0.000000          0.000000       0.000000
 C    3  -   C    2  -   C    1  -   H    7     180.000000        180.000000       0.000000
 C    3  -   C    4  -   C    5  -   C    6       0.000000          0.000000       0.000000
 C    3  -   C    4  -   C    5  -   H   11     180.000000        180.000000       0.000000
 C    4  -   C    3  -   C    2  -   C    1       0.000000          0.000000       0.000000
 C    4  -   C    3  -   C    2  -   H    8     180.000000        180.000000       0.000000
 C    4  -   C    5  -   C    6  -   C    1       0.000000          0.000000       0.000000
 C    4  -   C    5  -   C    6  -   H   12     180.000000        180.000000       0.000000
 C    5  -   C    4  -   C    3  -   C    2       0.000000          0.000000       0.000000
 C    5  -   C    4  -   C    3  -   H    9     180.000000        180.000000       0.000000
 C    5  -   C    6  -   C    1  -   C    2       0.000000          0.000000       0.000000
 C    5  -   C    6  -   C    1  -   H    7     180.000000        180.000000       0.000000
 C    6  -   C    1  -   C    2  -   C    3       0.000000          0.000000       0.000000
 C    6  -   C    1  -   C    2  -   H    8     180.000000        180.000000       0.000000
 C    6  -   C    5  -   C    4  -   C    3       0.000000          0.000000       0.000000
 C    6  -   C    5  -   C    4  -   H   10     180.000000        180.000000       0.000000
 H    7  -   C    1  -   C    2  -   C    3     180.000000        180.000000       0.000000
 H    7  -   C    1  -   C    2  -   H    8       0.000000          0.000000       0.000000
 H    7  -   C    1  -   C    6  -   C    5     180.000000        180.000000       0.000000
 H    7  -   C    1  -   C    6  -   H   12       0.000000          0.000000       0.000000
 H    8  -   C    2  -   C    1  -   C    6     180.000000        180.000000       0.000000
 H    8  -   C    2  -   C    1  -   H    7       0.000000          0.000000       0.000000
 H    8  -   C    2  -   C    3  -   C    4     180.000000        180.000000       0.000000
 H    8  -   C    2  -   C    3  -   H    9       0.000000          0.000000       0.000000
 H    9  -   C    3  -   C    2  -   C    1     180.000000        180.000000       0.000000
 H    9  -   C    3  -   C    2  -   H    8       0.000000          0.000000       0.000000
 H    9  -   C    3  -   C    4  -   C    5     180.000000        180.000000       0.000000
 H    9  -   C    3  -   C    4  -   H   10       0.000000          0.000000       0.000000
 H   10  -   C    4  -   C    3  -   C    2     180.000000        180.000000       0.000000
 H   10  -   C    4  -   C    3  -   H    9       0.000000          0.000000       0.000000
 H   10  -   C    4  -   C    5  -   C    6     180.000000        180.000000       0.000000
 H   10  -   C    4  -   C    5  -   H   11       0.000000          0.000000       0.000000
 H   11  -   C    5  -   C    4  -   C    3     180.000000        180.000000       0.000000
 H   11  -   C    5  -   C    4  -   H   10       0.000000          0.000000       0.000000
 H   11  -   C    5  -   C    6  -   C    1     180.000000        180.000000       0.000000
 H   11  -   C    5  -   C    6  -   H   12       0.000000          0.000000       0.000000
 H   12  -   C    6  -   C    1  -   C    2     180.000000        180.000000       0.000000
 H   12  -   C    6  -   C    1  -   H    7       0.000000          0.000000       0.000000
 H   12  -   C    6  -   C    5  -   C    4     180.000000        180.000000       0.000000
 H   12  -   C    6  -   C    5  -   H   11       0.000000          0.000000       0.000000
-------------------------------------------------------------------------------------------
    There is no difference in dihedral angle.
-------------------------------------------------------------------------------------------
