Van der Waals parameters and atom types

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 MMX MNEMO DESCRIPTION             R*         EPS      LPD     IHTYP   IHDON
   TYPE
  1   C    CSP3                  1.900       0.044       0       0       0
  2   Cc   CARBENE & SP2 ALKENE  1.940       0.044     110       0       0
  5   H    HYDROGEN              1.500       0.047       0      20       0
 12   Cle  CHLORIDE              2.030       0.240      10       0       0
 31   W5   TUNGSTEN 5            1.390       0.400       0       0       0
 32   H*   HYDROGEN COORD.       1.500       0.047       0      20       0
 33   C*   CARBON COORD.         1.900       0.044       0       0       0
 59   Cla  CHLORINE AXIAL        2.030       0.240      10       0       0

Streching and bond moment parameters

  MMX  MNEMONIC   KS       L0       L1     BOND MOM SSLOPE   TSLOPE
   BOND TYPE
 2-31   Cc-W5    5.960    1.877    0.000   -0.560    0.000    0.000
12-31  Cle-W5    2.000    2.384    0.000   -2.081    0.000    0.000
31-59   W5-Cla   2.000    2.384    0.000    2.081    0.000    0.000
 2-32   Cc-H*    4.400    1.110    0.000    0.200    0.000    0.000
 1-33    C-C*    4.400    1.523    0.000    0.000    0.000    0.000
 2-33   Cc-C*    5.000    1.497    0.000    0.300    0.000    0.000
 5-33    H-C*    4.600    1.113    0.000    0.000    0.000    0.000
31-33   W5-C*    2.500    2.417    0.000    2.394    0.000    0.000

Bending parameters
                      
  MMX      MENMONIC       KS       TYPE-1      TYPE-2      TYPE-3
     ANGLE TYPE                   (-CR2-)      (-CRH-)     (-CH2-)
 1- 2-31    C-Cc-W5     0.500     127.500     140.500      115.000 
 5- 2-31    H-Cc-W5     0.360     120.500       0.000       0.000
 2-31-12   Cc-W5-Cle    0.500     100.000       0.000       0.000
 2-31-59   Cc-W5-Cla    0.500      95.000       0.000       0.000
12-31-12  Cle-W5-Cle    0.300     135.000       0.000       0.000
12-31-59  Cle-W5-Cla    0.300      88.500       0.000       0.000
59-31-59  Cla-W5-Cla    0.300     170.500       0.000       0.000
 1- 1-33    C-W5-C*     0.450     109.470       0.000       0.000
 5- 1-33    H-W5-C*     0.360     109.390       0.000       0.000
 1-33- 2    C-C*-Cc     0.450     109.470       0.000       0.000
 5-33- 2    H-C*-Cc     0.360     109.390       0.000       0.000
 1-33- 5    C-C*-H      0.360     109.390       0.000       0.000
 5-33- 5    H-C*-H      0.320     109.400       0.000       0.000
 1- 2-32    C-Cc-H*     0.360     118.200       0.000       0.000
31- 2-32   W5-Cc-H*     0.400      72.200       0.000       0.000
31- 2-33   W5-Cc-C*     0.500     149.730       0.000       0.000
32- 2-33   H*-Cc-C*     0.360     138.070       0.000       0.000
 5- 2-32    H-Cc-H*     0.360     119.000       0.000       0.000

Torsional parameters:

   MMX          MNEMONIC         V1          V2          V3
   DIHEDRAL ANGLE TYPE
 1- 1- 2-31    C-C -Cc-W5     -0.440       0.240       0.060
 5- 1- 2-31    H-C -Cc-W5      0.000       0.000      -0.240
 1- 2-31-12    C-Cc-W5-Cle     0.000       1.950       0.000
 1- 2-31-59    C-Cc-W5-Cla     0.000      -1.950       0.000
 5- 2-31-12    H-Cc-W5-Cle     0.000       1.950       0.000
 5- 2-31-59    H-Cc-W5-Cla     0.000      -1.950       0.000
 1- 1- 2-32    C-C -Cc-H*      0.000       0.000       0.010
 1-33- 2-31    C-C*-Cc-W5     -0.440       0.240       0.060
 1-33- 2-32    C-C*-Cc-H*      0.000       0.000       0.010
 2-33- 1- 5   Cc-C*-C -H       0.000       0.000       0.500
 5-33- 1- 5    H-C*-C -H       0.000       0.000       0.240
 5- 1- 2-32    H-C -Cc-H*      0.000       0.000       0.520
 5-33- 2-31    H-C*-Cc-W5      0.000       0.000      -0.240
 5-33- 2-32    H-C*-Cc-H*      0.000       0.000       0.520
33- 2-31-12   C*-Cc-W5-Cle     0.000       1.950       0.000
33- 2-31-59   C*-Cc-W5-Cla     0.000      -1.950       0.000
32- 2-31-12   H*-Cc-W5-Cle     0.000       1.950       0.000
32- 2-31-59   H*-Cc-W5-Cla     0.000      -1.950       0.000



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