possible FAILURE:  check mdout.1az6.min.dif
/home/drpunit/amber12/test/sander_pbsa_delphi
54c54
<  Total surface charge      -0.9926
>  Total surface charge      -0.9985
### Maximum absolute error in matching lines = 5.90e-03 at line 54 field 4
### Maximum relative error in matching lines = 5.94e-03 at line 54 field 4
---------------------------------------
possible FAILURE:  check Na.inp1.out.dif
/home/drpunit/amber12/test/sander_pbsa_radi
20c20
<  PB Warning in pb_read(): cavity_surften=0.0378 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.04356.
> PB Warning in pb_read(): cavity_surften=0.0378 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.005000
21c21
<  PB Warning in pb_read(): cavity_offset=-0.5692 is optimized for inp=2  and should not be used with inp=1. It has been reset to -1.008.
> PB Warning in pb_read(): cavity_offset=-0.5692 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.
22c22
<  NATOM  =       1 NTYPES =       1 NBONH =       0 MBONA  =       0
> PB Warning in pb_read(): radiopt=1 should be set to 0 when inp = 1
23c23
<  NTHETH =       0 MTHETA =       0 NPHIH =       0 MPHIA  =       0
>  NATOM  =       1 NTYPES =       1 NBONH =       0 MBONA  =       0
24c24
<  NHPARM =       0 NPARM  =       0 NNB   =       1 NRES   =       1
>  NTHETH =       0 MTHETA =       0 NPHIH =       0 MPHIA  =       0
25c25
<  NBONA  =       0 NTHETA =       0 NPHIA =       0 NUMBND =       0
>  NHPARM =       0 NPARM  =       0 NNB   =       1 NRES   =       1
26c26
<  NUMANG =       0 NPTRA  =       0 NATYP =       1 NPHB   =       0
>  NBONA  =       0 NTHETA =       0 NPHIA =       0 NUMBND =       0
27c27
<  IFBOX  =       0 NMXRS  =       1 IFCAP =       0 NEXTRA =       0
>  NUMANG =       0 NPTRA  =       0 NATYP =       1 NPHB   =       0
28c28
<  NCOPY  =       0
>  IFBOX  =       0 NMXRS  =       1 IFCAP =       0 NEXTRA =       0
29c29
< --------------------------------------------------------------------------------
>  NCOPY  =       0
30c30
<    2.  CONTROL  DATA  FOR  THE  RUN
> --------------------------------------------------------------------------------
31c31
< --------------------------------------------------------------------------------
>    2.  CONTROL  DATA  FOR  THE  RUN
32c32
< Na+
> --------------------------------------------------------------------------------
33c33
< General flags:
> Na+
34c34
<      imin    =       1, nmropt  =       0
> General flags:
35c35
< Nature and format of input:
>      imin    =       1, nmropt  =       0
36c36
<      ntx     =       1, irest   =       0, ntrx    =       1
> Nature and format of input:
37c37
< Nature and format of output:
>      ntx     =       1, irest   =       0, ntrx    =       1
38c38
<      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
> Nature and format of output:
39c39
<      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
>      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
40c40
<      ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0
>      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
41c41
< Potential function:
>      ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0
42c42
<      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =      25
> Potential function:
43c43
<      ipol    =       0, gbsa    =       0, iesp    =       0
>      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =      25
44c44
<      dielc   =   1.00000, cut     =9999.00000, intdiel =   1.00000
>      ipol    =       0, gbsa    =       0, iesp    =       0
45c45
< Frozen or restrained atoms:
>      dielc   =   1.00000, cut     =9999.00000, intdiel =   1.00000
46c46
<      ibelly  =       0, ntr     =       0
> Frozen or restrained atoms:
47c47
< Energy minimization:
>      ibelly  =       0, ntr     =       0
48c48
<      maxcyc  =       1, ncyc    =      10, ntmin   =       1
> Energy minimization:
49c49
<      dx0     =   0.01000, drms    =   0.00010
>      maxcyc  =       1, ncyc    =      10, ntmin   =       1
50c50
< --------------------------------------------------------------------------------
>      dx0     =   0.01000, drms    =   0.00010
51c51
<    3.  ATOMIC COORDINATES AND VELOCITIES
> --------------------------------------------------------------------------------
52c52
< --------------------------------------------------------------------------------
>    3.  ATOMIC COORDINATES AND VELOCITIES
53c53
< Na+
> --------------------------------------------------------------------------------
54c54
<  begin time read from input coords =     0. ps
> Na+
55c55
<  Number of triangulated 3-point waters found:        0
>  begin time read from input coords =     0. ps
56c56
< --------------------------------------------------------------------------------
>  Number of triangulated 3-point waters found:        0
57c57
<    4.  RESULTS
> --------------------------------------------------------------------------------
58c58
< --------------------------------------------------------------------------------
>    4.  RESULTS
59c59
<  Total surface charge      -0.9875
> --------------------------------------------------------------------------------
60c60
<  Reaction field energy    -87.4429
>  Total surface charge      -0.9875
61c61
<  Cavity solvation energy   -135.5350
>  Reaction field energy   -109.3034
62c62
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>  Cavity solvation energy      0.6038
63c63
<       1      -2.2298E+2     0.     0.     Na+         1
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
64c64
<  BOND    =        0.  ANGLE   =        0.  DIHED      =        0.
>       1      -1.0870E+2     2.9708E-15     4.4910E-15     Na+         1
65c65
<  VDWAALS =        0.  EEL     =        0.  EPB        =      -87.4429
>  BOND    =        0.  ANGLE   =        0.  DIHED      =        0.
66c66
<  1-4 VDW =        0.  1-4 EEL =        0.  RESTRAINT  =        0.
>  VDWAALS =        0.  EEL     =        0.  EPB        =     -109.3034
67c67
<  ECAVITY =     -135.5350  EDISPER =        0.
>  1-4 VDW =        0.  1-4 EEL =        0.  RESTRAINT  =        0.
68c68
<                     FINAL RESULTS
>  ECAVITY =        0.6038  EDISPER =        0.
69c69
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>                     FINAL RESULTS
70c70
<       1      -2.2298E+2     0.     0.     Na+         1
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
71c71
<  BOND    =        0.  ANGLE   =        0.  DIHED      =        0.
>       1      -1.0870E+2     2.9708E-15     2.9825E-15     Na+         1
72c72
<  VDWAALS =        0.  EEL     =        0.  EPB        =      -87.4426
>  BOND    =        0.  ANGLE   =        0.  DIHED      =        0.
73c73
<  1-4 VDW =        0.  1-4 EEL =        0.  RESTRAINT  =        0.
>  VDWAALS =        0.  EEL     =        0.  EPB        =     -109.3033
74c74
<  ECAVITY =     -135.5350  EDISPER =        0.
>  1-4 VDW =        0.  1-4 EEL =        0.  RESTRAINT  =        0.
75c75
< --------------------------------------------------------------------------------
>  ECAVITY =        0.6038  EDISPER =        0.
76c76
<    5.  TIMINGS
> --------------------------------------------------------------------------------
77c77
< --------------------------------------------------------------------------------
>    5.  TIMINGS
---------------------------------------
possible FAILURE:  check nma.inp1.out.dif
/home/drpunit/amber12/test/sander_pbsa_radi
20c20
<  PB Warning in pb_read(): cavity_surften=0.0378 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.04356.
> PB Warning in pb_read(): cavity_surften=0.0378 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.005000
21c21
<  PB Warning in pb_read(): cavity_offset=-0.5692 is optimized for inp=2  and should not be used with inp=1. It has been reset to -1.008.
> PB Warning in pb_read(): cavity_offset=-0.5692 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.
22c22
<  NATOM  =      12 NTYPES =       7 NBONH =       7 MBONA  =       4
> PB Warning in pb_read(): radiopt=1 should be set to 0 when inp = 1
23c23
<  NTHETH =      14 MTHETA =       4 NPHIH =      21 MPHIA  =       3
>  NATOM  =      12 NTYPES =       7 NBONH =       7 MBONA  =       4
24c24
<  NHPARM =       0 NPARM  =       0 NNB   =      46 NRES   =       2
>  NTHETH =      14 MTHETA =       4 NPHIH =      21 MPHIA  =       3
25c25
<  NBONA  =       4 NTHETA =       4 NPHIA =       3 NUMBND =       7
>  NHPARM =       0 NPARM  =       0 NNB   =      46 NRES   =       2
26c26
<  NUMANG =      10 NPTRA  =       7 NATYP =       7 NPHB   =       0
>  NBONA  =       4 NTHETA =       4 NPHIA =       3 NUMBND =       7
27c27
<  IFBOX  =       0 NMXRS  =       6 IFCAP =       0 NEXTRA =       0
>  NUMANG =      10 NPTRA  =       7 NATYP =       7 NPHB   =       0
28c28
<  NCOPY  =       0
>  IFBOX  =       0 NMXRS  =       6 IFCAP =       0 NEXTRA =       0
29c29
< --------------------------------------------------------------------------------
>  NCOPY  =       0
30c30
<    2.  CONTROL  DATA  FOR  THE  RUN
> --------------------------------------------------------------------------------
31c31
< --------------------------------------------------------------------------------
>    2.  CONTROL  DATA  FOR  THE  RUN
32c32
< ACE
> --------------------------------------------------------------------------------
33c33
< General flags:
> ACE
34c34
<      imin    =       1, nmropt  =       0
> General flags:
35c35
< Nature and format of input:
>      imin    =       1, nmropt  =       0
36c36
<      ntx     =       1, irest   =       0, ntrx    =       1
> Nature and format of input:
37c37
< Nature and format of output:
>      ntx     =       1, irest   =       0, ntrx    =       1
38c38
<      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
> Nature and format of output:
39c39
<      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
>      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
40c40
<      ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0
>      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
41c41
< Potential function:
>      ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0
42c42
<      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =      25
> Potential function:
43c43
<      ipol    =       0, gbsa    =       0, iesp    =       0
>      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =      25
44c44
<      dielc   =   1.00000, cut     =9999.00000, intdiel =   1.00000
>      ipol    =       0, gbsa    =       0, iesp    =       0
45c45
< Frozen or restrained atoms:
>      dielc   =   1.00000, cut     =9999.00000, intdiel =   1.00000
46c46
<      ibelly  =       0, ntr     =       0
> Frozen or restrained atoms:
47c47
< Energy minimization:
>      ibelly  =       0, ntr     =       0
48c48
<      maxcyc  =       1, ncyc    =      10, ntmin   =       1
> Energy minimization:
49c49
<      dx0     =   0.01000, drms    =   0.00010
>      maxcyc  =       1, ncyc    =      10, ntmin   =       1
50c50
< --------------------------------------------------------------------------------
>      dx0     =   0.01000, drms    =   0.00010
51c51
<    3.  ATOMIC COORDINATES AND VELOCITIES
> --------------------------------------------------------------------------------
52c52
< --------------------------------------------------------------------------------
>    3.  ATOMIC COORDINATES AND VELOCITIES
53c53
< ACE
> --------------------------------------------------------------------------------
54c54
<  begin time read from input coords =     0. ps
> ACE
55c55
<  Number of triangulated 3-point waters found:        0
>  begin time read from input coords =     0. ps
56c56
< --------------------------------------------------------------------------------
>  Number of triangulated 3-point waters found:        0
57c57
<    4.  RESULTS
> --------------------------------------------------------------------------------
58c58
< --------------------------------------------------------------------------------
>    4.  RESULTS
59c59
<  Total surface charge       0.
> --------------------------------------------------------------------------------
60c60
<  Reaction field energy     -8.9220
>  Total surface charge       0.
61c61
<  Cavity solvation energy   -272.2766
>  Reaction field energy     -9.6083
62c62
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>  Cavity solvation energy      1.3709
63c63
<       1      -3.0837E+2     4.4836     1.6029E+1     C           5
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
64c64
<  BOND    =        0.0203  ANGLE   =        0.0622  DIHED      =        2.3877
>       1      -3.5404E+1     4.4319     1.7525E+1     C           5
65c65
<  VDWAALS =        0.6127  EEL     =      -13.0252  EPB        =       -8.9220
>  BOND    =        0.0203  ANGLE   =        0.0622  DIHED      =        2.3877
66c66
<  1-4 VDW =        1.3142  1-4 EEL =      -18.5387  RESTRAINT  =        0.
>  VDWAALS =        0.6127  EEL     =      -13.0252  EPB        =       -9.6083
67c67
<  ECAVITY =     -272.2766  EDISPER =        0.
>  1-4 VDW =        1.3142  1-4 EEL =      -18.5387  RESTRAINT  =        0.
68c68
<   Maximum number of minimization cycles reached.
>  ECAVITY =        1.3709  EDISPER =        0.
69c69
<                     FINAL RESULTS
>   Maximum number of minimization cycles reached.
70c70
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>                     FINAL RESULTS
71c71
<       1      -3.0837E+2     4.4836     1.6029E+1     C           5
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
72c72
<  BOND    =        0.0203  ANGLE   =        0.0622  DIHED      =        2.3877
>       1      -3.5404E+1     4.4319     1.7525E+1     C           5
73c73
<  VDWAALS =        0.6127  EEL     =      -13.0252  EPB        =       -8.9221
>  BOND    =        0.0203  ANGLE   =        0.0622  DIHED      =        2.3877
74c74
<  1-4 VDW =        1.3142  1-4 EEL =      -18.5387  RESTRAINT  =        0.
>  VDWAALS =        0.6127  EEL     =      -13.0252  EPB        =       -9.6083
75c75
<  ECAVITY =     -272.2766  EDISPER =        0.
>  1-4 VDW =        1.3142  1-4 EEL =      -18.5387  RESTRAINT  =        0.
76c76
< --------------------------------------------------------------------------------
>  ECAVITY =        1.3709  EDISPER =        0.
77c77
<    5.  TIMINGS
> --------------------------------------------------------------------------------
78c78
< --------------------------------------------------------------------------------
>    5.  TIMINGS
---------------------------------------
possible FAILURE:  check da.inp1.out.dif
/home/drpunit/amber12/test/sander_pbsa_radi
20c20
<  PB Warning in pb_read(): cavity_surften=0.0378 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.04356.
> PB Warning in pb_read(): cavity_surften=0.0378 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.005000
21c21
<  PB Warning in pb_read(): cavity_offset=-0.5692 is optimized for inp=2  and should not be used with inp=1. It has been reset to -1.008.
> PB Warning in pb_read(): cavity_offset=-0.5692 is optimized for inp=2  and should not be used with inp=1. It has been reset to 0.
22c22
<  NATOM  =      18 NTYPES =       6 NBONH =       7 MBONA  =      12
> PB Warning in pb_read(): radiopt=1 should be set to 0 when inp = 1
23c23
<  NTHETH =      13 MTHETA =      17 NPHIH =      18 MPHIA  =      25
>  NATOM  =      18 NTYPES =       6 NBONH =       7 MBONA  =      12
24c24
<  NHPARM =       0 NPARM  =       0 NNB   =      80 NRES   =       1
>  NTHETH =      13 MTHETA =      17 NPHIH =      18 MPHIA  =      25
25c25
<  NBONA  =      12 NTHETA =      17 NPHIA =      25 NUMBND =      15
>  NHPARM =       0 NPARM  =       0 NNB   =      80 NRES   =       1
26c26
<  NUMANG =      24 NPTRA  =      13 NATYP =      12 NPHB   =       0
>  NBONA  =      12 NTHETA =      17 NPHIA =      25 NUMBND =      15
27c27
<  IFBOX  =       0 NMXRS  =      18 IFCAP =       0 NEXTRA =       0
>  NUMANG =      24 NPTRA  =      13 NATYP =      12 NPHB   =       0
28c28
<  NCOPY  =       0
>  IFBOX  =       0 NMXRS  =      18 IFCAP =       0 NEXTRA =       0
29c29
< --------------------------------------------------------------------------------
>  NCOPY  =       0
30c30
<    2.  CONTROL  DATA  FOR  THE  RUN
> --------------------------------------------------------------------------------
31c31
< --------------------------------------------------------------------------------
>    2.  CONTROL  DATA  FOR  THE  RUN
32c32
< DA
> --------------------------------------------------------------------------------
33c33
< General flags:
> DA
34c34
<      imin    =       1, nmropt  =       0
> General flags:
35c35
< Nature and format of input:
>      imin    =       1, nmropt  =       0
36c36
<      ntx     =       1, irest   =       0, ntrx    =       1
> Nature and format of input:
37c37
< Nature and format of output:
>      ntx     =       1, irest   =       0, ntrx    =       1
38c38
<      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
> Nature and format of output:
39c39
<      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
>      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
40c40
<      ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0
>      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
41c41
< Potential function:
>      ioutfm  =       0, ntwprt  =       0, idecomp =       0, rbornstat=      0
42c42
<      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =      25
> Potential function:
43c43
<      ipol    =       0, gbsa    =       0, iesp    =       0
>      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =      25
44c44
<      dielc   =   1.00000, cut     =9999.00000, intdiel =   1.00000
>      ipol    =       0, gbsa    =       0, iesp    =       0
45c45
< Frozen or restrained atoms:
>      dielc   =   1.00000, cut     =9999.00000, intdiel =   1.00000
46c46
<      ibelly  =       0, ntr     =       0
> Frozen or restrained atoms:
47c47
< Energy minimization:
>      ibelly  =       0, ntr     =       0
48c48
<      maxcyc  =       1, ncyc    =      10, ntmin   =       1
> Energy minimization:
49c49
<      dx0     =   0.01000, drms    =   0.00010
>      maxcyc  =       1, ncyc    =      10, ntmin   =       1
50c50
< --------------------------------------------------------------------------------
>      dx0     =   0.01000, drms    =   0.00010
51c51
<    3.  ATOMIC COORDINATES AND VELOCITIES
> --------------------------------------------------------------------------------
52c52
< --------------------------------------------------------------------------------
>    3.  ATOMIC COORDINATES AND VELOCITIES
53c53
< DA
> --------------------------------------------------------------------------------
54c54
<  begin time read from input coords =     0. ps
> DA
55c55
<  Number of triangulated 3-point waters found:        0
>  begin time read from input coords =     0. ps
56c56
< --------------------------------------------------------------------------------
>  Number of triangulated 3-point waters found:        0
57c57
<    4.  RESULTS
> --------------------------------------------------------------------------------
58c58
< --------------------------------------------------------------------------------
>    4.  RESULTS
59c59
<  Total surface charge       0.
> --------------------------------------------------------------------------------
60c60
<  Reaction field energy    -12.6328
>  Total surface charge       0.
61c61
<  Cavity solvation energy   -343.3842
>  Reaction field energy    -17.3088
62c62
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>  Cavity solvation energy      1.8232
63c63
<       1      -4.3674E+2     5.0910     1.7635E+1     N1         11
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
64c64
<  BOND    =        0.0058  ANGLE   =        0.0467  DIHED      =        0.0062
>       1      -9.6206E+1     5.3067     1.9773E+1     N1         11
65c65
<  VDWAALS =       -1.0176  EEL     =      -15.8966  EPB        =      -12.6328
>  BOND    =        0.0058  ANGLE   =        0.0467  DIHED      =        0.0062
66c66
<  1-4 VDW =        6.6808  1-4 EEL =      -70.5454  RESTRAINT  =        0.
>  VDWAALS =       -1.0176  EEL     =      -15.8966  EPB        =      -17.3088
67c67
<  ECAVITY =     -343.3842  EDISPER =        0.
>  1-4 VDW =        6.6808  1-4 EEL =      -70.5454  RESTRAINT  =        0.
68c68
<   Maximum number of minimization cycles reached.
>  ECAVITY =        1.8232  EDISPER =        0.
69c69
<                     FINAL RESULTS
>   Maximum number of minimization cycles reached.
70c70
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>                     FINAL RESULTS
71c71
<       1      -4.3674E+2     5.0910     1.7636E+1     N1         11
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
72c72
<  BOND    =        0.0058  ANGLE   =        0.0467  DIHED      =        0.0062
>       1      -9.6206E+1     5.3067     1.9773E+1     N1         11
73c73
<  VDWAALS =       -1.0176  EEL     =      -15.8966  EPB        =      -12.6328
>  BOND    =        0.0058  ANGLE   =        0.0467  DIHED      =        0.0062
74c74
<  1-4 VDW =        6.6808  1-4 EEL =      -70.5454  RESTRAINT  =        0.
>  VDWAALS =       -1.0176  EEL     =      -15.8966  EPB        =      -17.3088
75c75
<  ECAVITY =     -343.3842  EDISPER =        0.
>  1-4 VDW =        6.6808  1-4 EEL =      -70.5454  RESTRAINT  =        0.
76c76
< --------------------------------------------------------------------------------
>  ECAVITY =        1.8232  EDISPER =        0.
77c77
<    5.  TIMINGS
> --------------------------------------------------------------------------------
78c78
< --------------------------------------------------------------------------------
>    5.  TIMINGS
---------------------------------------
possible FAILURE:  check force.dat.dif
/home/drpunit/amber12/test/sander_pbsa_frc/dbf_1/polyALA
454c454
<         0.116733E+2        0.492497E+1       -0.642168E+1
>         0.116734E+2        0.492497E+1       -0.642168E+1
938c938
<         0.116733E+2        0.492497E+1       -0.642168E+1
>         0.116734E+2        0.492497E+1       -0.642168E+1
### Maximum absolute error in matching lines = 1.00e-04 at line 454 field 1
### Maximum relative error in matching lines = 8.57e-06 at line 454 field 1
---------------------------------------
possible FAILURE:  check force.dat.dif
/home/drpunit/amber12/test/sander_pbsa_frc/dbf_2/argasp
2c2
<        -0.112842       -0.102740        0.106051
>        -0.776784E-1       -0.766802E-1        0.106736
3c3
<         0.232480E-2       -0.219795E-2       -0.122122E-1
>         0.890860E-2       -0.497883E-2       -0.120332E-1
4c4
<        -0.422553E-2        0.162873E-2        0.102955E-1
>        -0.386637E-2        0.280859E-2        0.106399E-1
5c5
<         0.197284E-1       -0.186281E-1       -0.701936E-2
>         0.184376E-1       -0.160798E-1       -0.458346E-2
6c6
<        -0.795712E-2       -0.102253E-2       -0.216191E-1
>        -0.689051E-2        0.127911E-2       -0.191327E-1
7c7
<         0.209809E-1       -0.400176E-1        0.739824E-1
>         0.185690E-1       -0.461730E-1        0.732692E-1
8c8
<         0.286751        0.163644       -0.319703
>         0.228783        0.156623       -0.257557
9c9
<         0.401964       -0.244059E-1       -0.102554
>         0.455716       -0.210315E-1       -0.973878E-1
10c10
<        -0.186237E-1        0.180238       -0.408455
>        -0.339290E-1        0.183479       -0.406449
11c11
<        -0.187767       -0.562628E-1        0.110862
>        -0.195487       -0.878105E-1        0.158774
12c12
<        -0.242067E+1       -0.106017E+1        0.281080E+1
>        -0.315856E+1       -0.107060E+1        0.370505E+1
13c13
<        -0.181607E-1        0.699285E-2        0.181198E-1
>         0.497705E-2        0.308783E-2        0.277600E-1
14c14
<         0.288137        0.121757E-1       -0.283983
>         0.257121       -0.485946E-1       -0.299532
15c15
<         0.304589E+1        0.399472E+1       -0.149958E+1
>         0.276301E+1        0.427907E+1       -0.199542E+1
16c16
<         0.198338       -0.464197E-1       -0.341287
>         0.132090        0.108042       -0.494288
17c17
<        -0.229296       -0.308731        0.135320E-1
>        -0.193543       -0.390427       -0.133893
18c18
<        -0.326449E+1       -0.918046        0.483222E+1
>        -0.361341E+1       -0.778861        0.518454E+1
19c19
<        -0.202086       -0.471678       -0.117161
>        -0.940760E-1       -0.501517       -0.938693E-1
20c20
<        -0.799048E-1        0.148893E-1        0.803581E-4
>        -0.733905E-1        0.574290E-2        0.179721E-1
21c21
<         0.548995E-2       -0.906717E-1       -0.131453
>         0.269199E-1       -0.654732E-1       -0.142117
22c22
<        -0.632909E-1       -0.163712        0.109485
>        -0.647623E-1       -0.191798        0.102923
23c23
<        -0.102628        0.468199        0.466071
>        -0.744762E-1        0.400174        0.435914
24c24
<         0.424364E+1        0.470165E+1       -0.293013E+1
>         0.495130E+1        0.439281E+1       -0.352244E+1
25c25
<        -0.415483E+1       -0.438704E+1        0.341585E+1
>        -0.435545E+1       -0.423780E+1        0.312973E+1
26c26
<        -0.900783E-1        0.452064E-2       -0.100881
>        -0.880233E-1       -0.792009E-2       -0.999953E-1
27c27
<         0.185546        0.518068E-1       -0.600186E-1
>         0.222339        0.543852E-1       -0.632310E-1
29c29
<        -0.112842       -0.102740        0.106051
>        -0.776784E-1       -0.766802E-1        0.106736
30c30
<         0.232480E-2       -0.219795E-2       -0.122122E-1
>         0.890860E-2       -0.497883E-2       -0.120332E-1
31c31
<        -0.422553E-2        0.162873E-2        0.102955E-1
>        -0.386637E-2        0.280859E-2        0.106399E-1
32c32
<         0.197284E-1       -0.186281E-1       -0.701936E-2
>         0.184376E-1       -0.160798E-1       -0.458346E-2
33c33
<        -0.795712E-2       -0.102253E-2       -0.216191E-1
>        -0.689051E-2        0.127911E-2       -0.191327E-1
34c34
<         0.209809E-1       -0.400176E-1        0.739824E-1
>         0.185690E-1       -0.461730E-1        0.732692E-1
35c35
<         0.286751        0.163644       -0.319703
>         0.228783        0.156623       -0.257557
36c36
<         0.401964       -0.244059E-1       -0.102554
>         0.455716       -0.210315E-1       -0.973878E-1
37c37
<        -0.186237E-1        0.180238       -0.408455
>        -0.339290E-1        0.183479       -0.406449
38c38
<        -0.187767       -0.562628E-1        0.110862
>        -0.195487       -0.878105E-1        0.158774
39c39
<        -0.242067E+1       -0.106017E+1        0.281080E+1
>        -0.315856E+1       -0.107060E+1        0.370505E+1
40c40
<        -0.181607E-1        0.699285E-2        0.181198E-1
>         0.497705E-2        0.308783E-2        0.277600E-1
41c41
<         0.288137        0.121757E-1       -0.283983
>         0.257121       -0.485946E-1       -0.299532
42c42
<         0.304589E+1        0.399472E+1       -0.149958E+1
>         0.276301E+1        0.427907E+1       -0.199542E+1
43c43
<         0.198338       -0.464197E-1       -0.341287
>         0.132090        0.108042       -0.494288
44c44
<        -0.229296       -0.308731        0.135320E-1
>        -0.193543       -0.390427       -0.133893
45c45
<        -0.326449E+1       -0.918046        0.483222E+1
>        -0.361341E+1       -0.778861        0.518454E+1
46c46
<        -0.202086       -0.471678       -0.117161
>        -0.940760E-1       -0.501517       -0.938693E-1
47c47
<        -0.799048E-1        0.148893E-1        0.803581E-4
>        -0.733905E-1        0.574290E-2        0.179721E-1
48c48
<         0.548995E-2       -0.906717E-1       -0.131453
>         0.269199E-1       -0.654732E-1       -0.142117
49c49
<        -0.632909E-1       -0.163712        0.109485
>        -0.647623E-1       -0.191798        0.102923
50c50
<        -0.102628        0.468199        0.466071
>        -0.744762E-1        0.400174        0.435914
51c51
<         0.424364E+1        0.470165E+1       -0.293013E+1
>         0.495130E+1        0.439281E+1       -0.352244E+1
52c52
<        -0.415483E+1       -0.438704E+1        0.341585E+1
>        -0.435545E+1       -0.423780E+1        0.312973E+1
53c53
<        -0.900783E-1        0.452064E-2       -0.100881
>        -0.880233E-1       -0.792009E-2       -0.999953E-1
54c54
<         0.185546        0.518068E-1       -0.600186E-1
>         0.222339        0.543852E-1       -0.632310E-1
### Maximum absolute error in matching lines = 7.38e-01 at line 12 field 1
### Maximum relative error in matching lines = 4.65e+00 at line 13 field 1
---------------------------------------
possible FAILURE:  check force.dat.dif
/home/drpunit/amber12/test/sander_pbsa_frc/dbf_2/dadt
2c2
<        -0.127768       -0.505227       -0.301622E-1
>        -0.116047       -0.405564       -0.102155
3c3
<        -0.967616E-1       -0.478610       -0.889633E-1
>        -0.961417E-1       -0.423961       -0.894469E-1
4c4
<         0.666990       -0.684336       -0.145698
>         0.640569       -0.591871       -0.454011E-1
5c5
<         0.324292E-2       -0.368981E-2        0.474192E-1
>         0.143160E-1       -0.144596E-1        0.842790E-1
6c6
<         0.676041E-1       -0.953988E-2        0.314587E-1
>         0.442118E-1       -0.104190E-1       -0.345253E-2
7c7
<        -0.207526E-1        0.225783E-1       -0.224600E-1
>        -0.328907E-1        0.555001E-2       -0.220501E-1
8c8
<        -0.385471E-2       -0.398921E-2        0.207242E-1
>        -0.515904E-2        0.741307E-3       -0.153909E-2
9c9
<        -0.694310E-1        0.131333        0.154511E-1
>        -0.939591E-1        0.119538        0.105751E-1
10c10
<        -0.173933E-1        0.408760E-1       -0.484450E-1
>        -0.235167E-1        0.363442E-1       -0.531534E-1
11c11
<        -0.889765E-2       -0.112312       -0.897317E-2
>        -0.602041E-2       -0.103510       -0.119232E-1
12c12
<        -0.120234E-1        0.310713E-1        0.560688E-1
>        -0.168652E-1        0.370092E-1        0.713458E-1
13c13
<        -0.487662        0.808471        0.157624
>        -0.519884        0.887221        0.124391
14c14
<        -0.837901        0.184687E+1        0.116742
>        -0.861670        0.172552E+1        0.186659
15c15
<         0.319866E+1        0.249335E+1        0.376599
>         0.322035E+1        0.250191E+1       -0.153787E-1
16c16
<         0.465893       -0.886287E-1       -0.469307E-1
>         0.431589        0.298888E-1        0.270047E-1
17c17
<        -0.101662E-1       -0.360555E-1        0.344643E-1
>        -0.102125E-1       -0.359166E-1        0.341488E-1
18c18
<         0.152178E+1        0.370118E+1        0.302422
>         0.211637E+1        0.392161E+1        0.557994
19c19
<        -0.334537E+1       -0.123274E+1       -0.142709
>        -0.413485E+1       -0.149215E+1        0.299865
20c20
<         0.422614E-1       -0.312602E-1       -0.890179E-1
>         0.404673E-1       -0.373430E-1       -0.857647E-1
21c21
<         0.118004E-1       -0.258377E-1       -0.865133E-2
>         0.944261E-2       -0.130795E-1       -0.521671E-2
22c22
<         0.627894E-1       -0.476856E-1        0.744543E-1
>         0.597239E-1       -0.497205E-1        0.108582
23c23
<         0.722899E-2        0.105048        0.150592E-1
>         0.138156E-1        0.888793E-1        0.419309E-2
24c24
<        -0.228729E-1        0.615593E-2       -0.362909E-2
>        -0.220519E-1        0.661013E-2        0.686110E-3
25c25
<        -0.130394E-1       -0.247490E-1       -0.753768E-2
>        -0.377240E-2       -0.567857E-1        0.538000E-1
26c26
<         0.144370E+1        0.206113E+1       -0.250349
>         0.151938E+1        0.202062E+1       -0.443004
27c27
<        -0.431348        0.391183        0.103314
>        -0.288175        0.329966        0.293915E-2
28c28
<        -0.704642E-1       -0.309494E-1        0.918035E-1
>        -0.739753E-1       -0.331362E-1        0.934863E-1
29c29
<         0.363788       -0.413399        0.479439E-1
>         0.346475       -0.397316        0.265416E-1
30c30
<         0.171703E+1       -0.189757E+1       -0.176001
>         0.211202E+1       -0.246544E+1       -0.204247
31c31
<        -0.143006E-1        0.324292E-2       -0.128775E-1
>        -0.126820E-1        0.216308E-2        0.440236E-2
32c32
<         0.805404E-1       -0.165306       -0.217646E-1
>         0.639333E-1       -0.162822       -0.131218E-1
33c33
<         0.359496E-1       -0.509797E-1        0.547363E-1
>         0.413232E-1       -0.586645E-1        0.780608E-1
34c34
<        -0.105236        0.676282E-2        0.112265E-1
>        -0.776892E-1        0.858650E-3        0.106107E-2
35c35
<         0.227080E-1       -0.244746E-1       -0.688832E-1
>         0.262213E-1       -0.296876E-1       -0.798992E-1
36c36
<         0.872233E-1        0.577530E-2       -0.227129E-1
>         0.809599E-1       -0.690300E-2       -0.260051E-2
37c37
<        -0.434367E+1       -0.939968        0.405793
>        -0.458052E+1       -0.958730        0.771393
39c39
<        -0.127768       -0.505227       -0.301622E-1
>        -0.116047       -0.405564       -0.102155
40c40
<        -0.967616E-1       -0.478610       -0.889633E-1
>        -0.961417E-1       -0.423961       -0.894469E-1
41c41
<         0.666990       -0.684336       -0.145698
>         0.640569       -0.591871       -0.454011E-1
42c42
<         0.324292E-2       -0.368981E-2        0.474192E-1
>         0.143160E-1       -0.144596E-1        0.842790E-1
43c43
<         0.676041E-1       -0.953988E-2        0.314587E-1
>         0.442118E-1       -0.104190E-1       -0.345253E-2
44c44
<        -0.207526E-1        0.225783E-1       -0.224600E-1
>        -0.328907E-1        0.555001E-2       -0.220501E-1
45c45
<        -0.385471E-2       -0.398921E-2        0.207242E-1
>        -0.515904E-2        0.741307E-3       -0.153909E-2
46c46
<        -0.694310E-1        0.131333        0.154511E-1
>        -0.939591E-1        0.119538        0.105751E-1
47c47
<        -0.173933E-1        0.408760E-1       -0.484450E-1
>        -0.235167E-1        0.363442E-1       -0.531534E-1
48c48
<        -0.889765E-2       -0.112312       -0.897317E-2
>        -0.602041E-2       -0.103510       -0.119232E-1
49c49
<        -0.120234E-1        0.310713E-1        0.560688E-1
>        -0.168652E-1        0.370092E-1        0.713458E-1
50c50
<        -0.487662        0.808471        0.157624
>        -0.519884        0.887221        0.124391
51c51
<        -0.837901        0.184687E+1        0.116742
>        -0.861670        0.172552E+1        0.186659
52c52
<         0.319866E+1        0.249335E+1        0.376599
>         0.322035E+1        0.250191E+1       -0.153787E-1
53c53
<         0.465893       -0.886287E-1       -0.469307E-1
>         0.431589        0.298888E-1        0.270047E-1
54c54
<        -0.101662E-1       -0.360555E-1        0.344643E-1
>        -0.102125E-1       -0.359166E-1        0.341488E-1
55c55
<         0.152178E+1        0.370118E+1        0.302422
>         0.211637E+1        0.392161E+1        0.557994
56c56
<        -0.334537E+1       -0.123274E+1       -0.142709
>        -0.413485E+1       -0.149215E+1        0.299865
57c57
<         0.422614E-1       -0.312602E-1       -0.890179E-1
>         0.404673E-1       -0.373430E-1       -0.857647E-1
58c58
<         0.118004E-1       -0.258377E-1       -0.865133E-2
>         0.944261E-2       -0.130795E-1       -0.521671E-2
59c59
<         0.627894E-1       -0.476856E-1        0.744543E-1
>         0.597239E-1       -0.497205E-1        0.108582
60c60
<         0.722899E-2        0.105048        0.150592E-1
>         0.138156E-1        0.888793E-1        0.419309E-2
61c61
<        -0.228729E-1        0.615593E-2       -0.362909E-2
>        -0.220519E-1        0.661013E-2        0.686110E-3
62c62
<        -0.130394E-1       -0.247490E-1       -0.753768E-2
>        -0.377240E-2       -0.567857E-1        0.538000E-1
63c63
<         0.144370E+1        0.206113E+1       -0.250349
>         0.151938E+1        0.202062E+1       -0.443004
64c64
<        -0.431348        0.391183        0.103314
>        -0.288175        0.329966        0.293915E-2
65c65
<        -0.704642E-1       -0.309494E-1        0.918035E-1
>        -0.739753E-1       -0.331362E-1        0.934863E-1
66c66
<         0.363788       -0.413399        0.479439E-1
>         0.346475       -0.397316        0.265416E-1
67c67
<         0.171703E+1       -0.189757E+1       -0.176001
>         0.211202E+1       -0.246544E+1       -0.204247
68c68
<        -0.143006E-1        0.324292E-2       -0.128775E-1
>        -0.126820E-1        0.216308E-2        0.440236E-2
69c69
<         0.805404E-1       -0.165306       -0.217646E-1
>         0.639333E-1       -0.162822       -0.131218E-1
70c70
<         0.359496E-1       -0.509797E-1        0.547363E-1
>         0.413232E-1       -0.586645E-1        0.780608E-1
71c71
<        -0.105236        0.676282E-2        0.112265E-1
>        -0.776892E-1        0.858650E-3        0.106107E-2
72c72
<         0.227080E-1       -0.244746E-1       -0.688832E-1
>         0.262213E-1       -0.296876E-1       -0.798992E-1
73c73
<         0.872233E-1        0.577530E-2       -0.227129E-1
>         0.809599E-1       -0.690300E-2       -0.260051E-2
74c74
<        -0.434367E+1       -0.939968        0.405793
>        -0.458052E+1       -0.958730        0.771393
### Maximum absolute error in matching lines = 7.89e-01 at line 19 field 1
### Maximum relative error in matching lines = 3.41e+00 at line 5 field 1
---------------------------------------
possible FAILURE:  check force.dat.dif
/home/drpunit/amber12/test/sander_pbsa_frc/dbf_2/dgdc
2c2
<        -0.248963        0.272422       -0.605526
>        -0.241116        0.285217       -0.791848
3c3
<         0.196715E-1       -0.102109E-1        0.165198
>         0.184755       -0.430964E-1        0.144585
4c4
<         0.212168        0.295660       -0.432268E-1
>        -0.126030        0.378735       -0.639354E-1
5c5
<         0.221868        0.156161E+1       -0.178998
>         0.396896E-1        0.221101E+1       -0.781287
6c6
<         0.228827E-1       -0.371124        0.206997E-1
>        -0.171178       -0.390612        0.325902E-1
7c7
<         0.395391        0.634026        0.393979E+1
>         0.606317        0.754169        0.401280E+1
8c8
<         0.964962E-1        0.323526       -0.328866E-1
>        -0.137997E-1        0.336204       -0.507149E-1
9c9
<         0.369622E-1       -0.643253E-1       -0.107980
>         0.595128E-2       -0.589711E-1       -0.991265E-1
10c10
<         0.240789E-2       -0.169782E-1       -0.134362E-1
>        -0.610296E-2       -0.205448E-1       -0.150097E-1
11c11
<         0.886788E-2       -0.271644E-2        0.939611E-2
>         0.599689E-2       -0.496613E-2        0.705555E-2
12c12
<        -0.282833E-1       -0.270269E-1        0.952189E-2
>        -0.290495E-1       -0.327058E-1        0.854106E-2
13c13
<         0.149318E-1        0.919143E-1       -0.241961E-1
>         0.163355E-1        0.833932E-1       -0.227031E-1
14c14
<         0.267642E-1       -0.300086E-1        0.644530E-2
>         0.235335E-1       -0.421066E-1        0.523421E-2
15c15
<         0.783593E-1       -0.499941        0.282579
>         0.622893E-1       -0.432906        0.217404
16c16
<         0.114802E-1       -0.191710E+1        0.727022
>         0.754525E-1       -0.189257E+1        0.132932E+1
17c17
<         0.611623        0.685424        0.490885E+1
>         0.823642        0.518521        0.533795E+1
18c18
<        -0.424651       -0.316605E+1       -0.460918E+1
>         0.144089       -0.344207E+1       -0.467110E+1
19c19
<        -0.262287        0.253425E+1        0.200157
>        -0.352106        0.286046E+1       -0.359123
20c20
<        -0.499799       -0.251944E+1       -0.492797E+1
>        -0.115260E+1       -0.287661E+1       -0.590178E+1
21c21
<        -0.205144        0.603638        0.381740E-1
>        -0.296739        0.607700        0.174012
22c22
<         0.267369E-1       -0.123612       -0.201453E-1
>         0.257495E-1       -0.120748       -0.159301E-1
23c23
<        -0.588666E-2       -0.256774E-1       -0.598268E-2
>         0.222965E-2       -0.192960E-1       -0.450383E-2
24c24
<         0.230491E-1        0.275925E-1       -0.142160E-2
>         0.277940E-1        0.301285E-1       -0.894839E-3
25c25
<         0.386948E-2       -0.118282       -0.306258E-1
>        -0.657249E-2       -0.108953       -0.338121E-1
26c26
<        -0.276710E-1        0.272543E-1       -0.237030E-2
>        -0.277041E-1        0.333951E-1       -0.413550E-2
27c27
<         0.786667E-1        0.618583       -0.219846E-1
>        -0.124060E-1        0.580383       -0.196321E-1
28c28
<         0.116546        0.267790E+1       -0.211243
>         0.198605        0.361845E+1       -0.129392
29c29
<         0.162191E-1        0.361125        0.202610
>        -0.135886        0.404100        0.253376
30c30
<         0.828391E-1        0.509787        0.905369
>         0.337400        0.893679        0.133786E+1
31c31
<        -0.177381        0.118903       -0.829742E-2
>        -0.244336        0.123640       -0.923283E-1
32c32
<         0.248361       -0.293871E+1        0.278079E-1
>         0.954837E-1       -0.327550E+1        0.239629E-2
33c33
<         0.560452E-1       -0.589756        0.727042
>         0.826594E-1       -0.745996        0.111230E+1
34c34
<         0.167858       -0.145655E+1        0.204530
>         0.368963       -0.161202E+1        0.216049
35c35
<         0.488131E-1        0.284632E+1        0.518219E+1
>         0.106812        0.373373E+1        0.662543E+1
36c36
<         0.381316       -0.205897E+1       -0.535844E+1
>         0.450684       -0.166844E+1       -0.561873E+1
38c38
<        -0.248963        0.272422       -0.605526
>        -0.241116        0.285217       -0.791848
39c39
<         0.196715E-1       -0.102109E-1        0.165198
>         0.184755       -0.430964E-1        0.144585
40c40
<         0.212168        0.295660       -0.432268E-1
>        -0.126030        0.378735       -0.639354E-1
41c41
<         0.221868        0.156161E+1       -0.178998
>         0.396896E-1        0.221101E+1       -0.781287
42c42
<         0.228827E-1       -0.371124        0.206997E-1
>        -0.171178       -0.390612        0.325902E-1
43c43
<         0.395391        0.634026        0.393979E+1
>         0.606317        0.754169        0.401280E+1
44c44
<         0.964962E-1        0.323526       -0.328866E-1
>        -0.137997E-1        0.336204       -0.507149E-1
45c45
<         0.369622E-1       -0.643253E-1       -0.107980
>         0.595128E-2       -0.589711E-1       -0.991265E-1
46c46
<         0.240789E-2       -0.169782E-1       -0.134362E-1
>        -0.610296E-2       -0.205448E-1       -0.150097E-1
47c47
<         0.886788E-2       -0.271644E-2        0.939611E-2
>         0.599689E-2       -0.496613E-2        0.705555E-2
48c48
<        -0.282833E-1       -0.270269E-1        0.952189E-2
>        -0.290495E-1       -0.327058E-1        0.854106E-2
49c49
<         0.149318E-1        0.919143E-1       -0.241961E-1
>         0.163355E-1        0.833932E-1       -0.227031E-1
50c50
<         0.267642E-1       -0.300086E-1        0.644530E-2
>         0.235335E-1       -0.421066E-1        0.523421E-2
51c51
<         0.783593E-1       -0.499941        0.282579
>         0.622893E-1       -0.432906        0.217404
52c52
<         0.114802E-1       -0.191710E+1        0.727022
>         0.754525E-1       -0.189257E+1        0.132932E+1
53c53
<         0.611623        0.685424        0.490885E+1
>         0.823642        0.518521        0.533795E+1
54c54
<        -0.424651       -0.316605E+1       -0.460918E+1
>         0.144089       -0.344207E+1       -0.467110E+1
55c55
<        -0.262287        0.253425E+1        0.200157
>        -0.352106        0.286046E+1       -0.359123
56c56
<        -0.499799       -0.251944E+1       -0.492797E+1
>        -0.115260E+1       -0.287661E+1       -0.590178E+1
57c57
<        -0.205144        0.603638        0.381740E-1
>        -0.296739        0.607700        0.174012
58c58
<         0.267369E-1       -0.123612       -0.201453E-1
>         0.257495E-1       -0.120748       -0.159301E-1
59c59
<        -0.588666E-2       -0.256774E-1       -0.598268E-2
>         0.222965E-2       -0.192960E-1       -0.450383E-2
60c60
<         0.230491E-1        0.275925E-1       -0.142160E-2
>         0.277940E-1        0.301285E-1       -0.894839E-3
61c61
<         0.386948E-2       -0.118282       -0.306258E-1
>        -0.657249E-2       -0.108953       -0.338121E-1
62c62
<        -0.276710E-1        0.272543E-1       -0.237030E-2
>        -0.277041E-1        0.333951E-1       -0.413550E-2
63c63
<         0.786667E-1        0.618583       -0.219846E-1
>        -0.124060E-1        0.580383       -0.196321E-1
64c64
<         0.116546        0.267790E+1       -0.211243
>         0.198605        0.361845E+1       -0.129392
65c65
<         0.162191E-1        0.361125        0.202610
>        -0.135886        0.404100        0.253376
66c66
<         0.828391E-1        0.509787        0.905369
>         0.337400        0.893679        0.133786E+1
67c67
<        -0.177381        0.118903       -0.829742E-2
>        -0.244336        0.123640       -0.923283E-1
68c68
<         0.248361       -0.293871E+1        0.278079E-1
>         0.954837E-1       -0.327550E+1        0.239629E-2
69c69
<         0.560452E-1       -0.589756        0.727042
>         0.826594E-1       -0.745996        0.111230E+1
70c70
<         0.167858       -0.145655E+1        0.204530
>         0.368963       -0.161202E+1        0.216049
71c71
<         0.488131E-1        0.284632E+1        0.518219E+1
>         0.106812        0.373373E+1        0.662543E+1
72c72
<         0.381316       -0.205897E+1       -0.535844E+1
>         0.450684       -0.166844E+1       -0.561873E+1
### Maximum absolute error in matching lines = 6.53e-01 at line 20 field 1
### Maximum relative error in matching lines = 9.38e+00 at line 29 field 1
---------------------------------------
possible FAILURE:  check force.dat.dif
/home/drpunit/amber12/test/sander_pbsa_frc/dbf_2/lysasp
2c2
<         0.463604E-2        0.888902E-2       -0.369671E-2
>         0.679730E-2        0.752652E-2       -0.510404E-2
3c3
<         0.188349E-1       -0.111885E-1       -0.394215E-2
>         0.164170E-1       -0.933566E-2       -0.136062E-2
4c4
<        -0.225234E-1       -0.242925E-1        0.188810E-1
>        -0.118362E-1       -0.255124E-1        0.233402E-1
5c5
<        -0.282712E-1       -0.992719E-2       -0.758957E-2
>        -0.314537E-1       -0.147651E-1       -0.792946E-2
6c6
<         0.511330E-2       -0.249506E-1        0.146030E-1
>         0.382531E-2       -0.283550E-1        0.142508E-1
7c7
<         0.155210       -0.425462E-1       -0.251864
>         0.129635       -0.157227E-1       -0.142553
8c8
<         0.265345       -0.137540       -0.538069E-1
>         0.279123       -0.146023       -0.595170E-1
9c9
<        -0.619783E-1        0.521480E-1       -0.273384
>        -0.435213E-1       -0.876369E-2       -0.372648
10c10
<        -0.409797       -0.705459        0.269425
>        -0.460746       -0.672589        0.244774
11c11
<        -0.850323       -0.212421E-1       -0.959226E-2
>        -0.122072E+1        0.466702E-1       -0.357470E-2
12c12
<         0.201186       -0.479106        0.616017
>         0.145214       -0.597104        0.913322
13c13
<        -0.185740       -0.935568       -0.443645
>        -0.477623E-1       -0.885657       -0.443443
14c14
<        -0.175752E+1        0.270369E+1       -0.311860E+1
>        -0.186562E+1        0.255593E+1       -0.313360E+1
15c15
<        -0.242170E+1       -0.268457E+1        0.136226E+1
>        -0.240022E+1       -0.265056E+1        0.149315E+1
16c16
<         0.412759E+1       -0.870116        0.615950
>         0.470168E+1       -0.496380        0.596669
17c17
<        -0.481984E-2        0.524959E-2        0.121993E-1
>        -0.423260E-2        0.719168E-2        0.129829E-1
18c18
<        -0.837629E-2        0.453363E-2       -0.201908E-1
>        -0.928071E-2        0.853264E-2       -0.211922E-1
19c19
<         0.655607E-1       -0.171539       -0.616645E-1
>         0.649587E-1       -0.138794       -0.747712E-1
20c20
<         0.433524E-1        0.210545       -0.128950
>         0.562968E-1        0.215146       -0.131587
21c21
<        -0.647899E-1        0.242791        0.309526
>        -0.860097E-1        0.191907        0.235164
22c22
<        -0.466986E+1       -0.541377E+1        0.379892E+1
>        -0.644105E+1       -0.528440E+1        0.443760E+1
23c23
<         0.478232E+1        0.668546E+1       -0.158716E+1
>         0.474685E+1        0.797013E+1       -0.243755E+1
24c24
<         0.118905       -0.107919        0.285837E-2
>         0.167076       -0.111752       -0.109662E-1
25c25
<        -0.155460       -0.117727       -0.180255E-1
>        -0.123786       -0.902117E-1       -0.110870E-1
27c27
<         0.463604E-2        0.888902E-2       -0.369671E-2
>         0.679730E-2        0.752652E-2       -0.510404E-2
28c28
<         0.188349E-1       -0.111885E-1       -0.394215E-2
>         0.164170E-1       -0.933566E-2       -0.136062E-2
29c29
<        -0.225234E-1       -0.242925E-1        0.188810E-1
>        -0.118362E-1       -0.255124E-1        0.233402E-1
30c30
<        -0.282712E-1       -0.992719E-2       -0.758957E-2
>        -0.314537E-1       -0.147651E-1       -0.792946E-2
31c31
<         0.511330E-2       -0.249506E-1        0.146030E-1
>         0.382531E-2       -0.283550E-1        0.142508E-1
32c32
<         0.155210       -0.425462E-1       -0.251864
>         0.129635       -0.157227E-1       -0.142553
33c33
<         0.265345       -0.137540       -0.538069E-1
>         0.279123       -0.146023       -0.595170E-1
34c34
<        -0.619783E-1        0.521480E-1       -0.273384
>        -0.435213E-1       -0.876369E-2       -0.372648
35c35
<        -0.409797       -0.705459        0.269425
>        -0.460746       -0.672589        0.244774
36c36
<        -0.850323       -0.212421E-1       -0.959226E-2
>        -0.122072E+1        0.466702E-1       -0.357470E-2
37c37
<         0.201186       -0.479106        0.616017
>         0.145214       -0.597104        0.913322
38c38
<        -0.185740       -0.935568       -0.443645
>        -0.477623E-1       -0.885657       -0.443443
39c39
<        -0.175752E+1        0.270369E+1       -0.311860E+1
>        -0.186562E+1        0.255593E+1       -0.313360E+1
40c40
<        -0.242170E+1       -0.268457E+1        0.136226E+1
>        -0.240022E+1       -0.265056E+1        0.149315E+1
41c41
<         0.412759E+1       -0.870116        0.615950
>         0.470168E+1       -0.496380        0.596669
42c42
<        -0.481984E-2        0.524959E-2        0.121993E-1
>        -0.423260E-2        0.719168E-2        0.129829E-1
43c43
<        -0.837629E-2        0.453363E-2       -0.201908E-1
>        -0.928071E-2        0.853264E-2       -0.211922E-1
44c44
<         0.655607E-1       -0.171539       -0.616645E-1
>         0.649587E-1       -0.138794       -0.747712E-1
45c45
<         0.433524E-1        0.210545       -0.128950
>         0.562968E-1        0.215146       -0.131587
46c46
<        -0.647899E-1        0.242791        0.309526
>        -0.860097E-1        0.191907        0.235164
47c47
<        -0.466986E+1       -0.541377E+1        0.379892E+1
>        -0.644105E+1       -0.528440E+1        0.443760E+1
48c48
<         0.478232E+1        0.668546E+1       -0.158716E+1
>         0.474685E+1        0.797013E+1       -0.243755E+1
49c49
<         0.118905       -0.107919        0.285837E-2
>         0.167076       -0.111752       -0.109662E-1
50c50
<        -0.155460       -0.117727       -0.180255E-1
>        -0.123786       -0.902117E-1       -0.110870E-1
### Maximum absolute error in matching lines = 1.77e+00 at line 22 field 1
### Maximum relative error in matching lines = 2.89e+00 at line 13 field 1
---------------------------------------
possible FAILURE:  check force.dat.dif
/home/drpunit/amber12/test/sander_pbsa_frc/dbf_2/polyALA
2c2
<        -0.997185       -0.113347E+1       -0.198543
>        -0.106127E+1       -0.121791E+1       -0.279432
3c3
<        -0.746057        0.159701E+1       -0.141123E+1
>        -0.629699        0.133089E+1       -0.117861E+1
4c4
<         0.771399E-1       -0.102103       -0.502899E-1
>         0.776499E-1       -0.103121       -0.607603E-1
5c5
<         0.246946       -0.247218       -0.132553
>         0.227628       -0.176431       -0.845284E-1
6c6
<        -0.332472E-1        0.917471E-2       -0.694842E-2
>        -0.335041E-1        0.185692E-2       -0.125675E-1
7c7
<        -0.669223E-1        0.120027        0.119209E-1
>        -0.901656E-1        0.120600        0.198188E-1
8c8
<         0.791728E-1        0.586585E-2        0.427421E-1
>         0.898466E-1       -0.298446E-3        0.375712E-1
9c9
<        -0.238173E-1       -0.481344E-1        0.290763E-2
>        -0.132983E-1       -0.708621E-1        0.148196E-1
10c10
<        -0.226655E-1       -0.327571E-1       -0.361421
>        -0.425557E-1       -0.402510E-1       -0.415057
11c11
<         0.176389E+1       -0.327362        0.187527E+1
>         0.174894E+1       -0.482822        0.167837E+1
12c12
<        -0.235395        0.473897E-1       -0.945459E-1
>        -0.220911        0.397864E-1       -0.885006E-1
13c13
<        -0.232843E+1        0.426417E-1        0.845578E-1
>        -0.267917E+1        0.204102        0.103972
14c14
<         0.500975E-1        0.208581E-1        0.413677E-1
>         0.566372E-1        0.203867E-1        0.444130E-1
15c15
<         0.189296        0.453296E-1        0.283585
>         0.185260        0.853637E-1        0.380874
16c16
<        -0.386422E-1       -0.193585E-1       -0.242407E-1
>        -0.302625E-1       -0.143672E-1       -0.206682E-1
17c17
<        -0.627228E-1       -0.760789E-1       -0.166016
>        -0.701091E-1       -0.738699E-1       -0.154534
18c18
<         0.644684E-1        0.677495E-1       -0.832883E-2
>         0.584955E-1        0.111260       -0.210273E-2
19c19
<        -0.484555E-1       -0.121824E-1        0.626045E-1
>        -0.597060E-1       -0.247358E-1        0.843116E-1
20c20
<        -0.189356E-1        0.681189E-1       -0.225007E-1
>        -0.263120E-1        0.686589E-1       -0.237436E-1
21c21
<         0.536447        0.246819E+1        0.827477E-1
>         0.615685        0.243871E+1        0.328085
22c22
<        -0.931309E-1       -0.542181E-1       -0.244782E-1
>        -0.111110       -0.474998E-1       -0.273900E-1
23c23
<        -0.205709E+1       -0.674738       -0.334918
>        -0.205868E+1       -0.846978       -0.435210
24c24
<         0.365061E-2        0.577738E-1       -0.369026E-1
>         0.426408E-2        0.651249E-1       -0.463766E-1
25c25
<         0.877767E-1        0.388550       -0.797301E-1
>         0.810888E-1        0.367105       -0.590875E-1
26c26
<        -0.286575E-1       -0.508385E-1        0.320300E-1
>        -0.237179E-1       -0.398895E-1        0.305999E-1
27c27
<         0.610156E-3       -0.141341        0.580018E-1
>        -0.186209E-2       -0.158933        0.616200E-1
28c28
<         0.733599E-1        0.100767E-1       -0.631806E-1
>         0.591481E-1        0.568535E-2       -0.106415
29c29
<        -0.662908E-1        0.340839E-1       -0.751680E-2
>        -0.835362E-1        0.305967E-1       -0.470273E-2
30c30
<        -0.628404E-2       -0.509968E-1       -0.787733E-1
>        -0.377958E-2       -0.499528E-1       -0.838491E-1
31c31
<         0.778661        0.231343       -0.234218E+1
>         0.715776        0.174432       -0.221088E+1
32c32
<        -0.483296E-1       -0.525290E-1       -0.377167E-1
>        -0.657142E-1       -0.746281E-1       -0.545165E-1
33c33
<        -0.131902E+1       -0.866218       -0.235517
>        -0.131243E+1       -0.101008E+1       -0.168891
34c34
<         0.443288E-1       -0.294940E-1       -0.592781E-1
>         0.330633E-1       -0.250639E-1       -0.574695E-1
35c35
<         0.141491       -0.959324E-1       -0.324737
>         0.128821       -0.168380       -0.413903
36c36
<        -0.567115E-1       -0.471149E-2        0.109032E-1
>        -0.416754E-1       -0.607504E-2        0.163729E-1
37c37
<        -0.287793E-2        0.838534E-2        0.725254E-1
>        -0.565737E-2       -0.396453E-2        0.825750E-1
38c38
<         0.105529       -0.255478E-1        0.680296E-2
>         0.988247E-1       -0.187609E-1        0.199233E-1
39c39
<        -0.423946E-1       -0.431624E-1       -0.371045E-1
>        -0.515367E-1       -0.433788E-1       -0.416297E-1
40c40
<         0.220092E-1       -0.632640E-1        0.567887E-1
>         0.206989E-1       -0.553246E-1        0.458873E-1
41c41
<         0.177968E+1       -0.174267E+1        0.440427
>         0.162289E+1       -0.184884E+1        0.308321
42c42
<        -0.523499E-1       -0.733937E-1        0.934532E-1
>        -0.553088E-1       -0.845083E-1        0.913085E-1
43c43
<        -0.101290        0.206475E-1        0.221530
>        -0.110023       -0.124224E-1        0.338281
44c44
<         0.736655E-1       -0.331792E-1        0.412181E-1
>         0.612530E-1       -0.148972E-1        0.605717E-1
45c45
<         0.279841       -0.237995        0.145233
>         0.262918       -0.259017        0.246864
46c46
<        -0.544612E-1       -0.145991E-1       -0.719875E-2
>        -0.681039E-1       -0.202395E-1       -0.544398E-2
47c47
<        -0.411036E-1        0.837790E-1       -0.442764E-1
>        -0.504052E-1        0.815845E-1       -0.366362E-1
48c48
<         0.736806E-1        0.519349E-1        0.358451E-1
>         0.831398E-1        0.520655E-1        0.456799E-1
49c49
<        -0.346218E-1       -0.507853E-1        0.390707E-1
>        -0.343953E-1       -0.679932E-1        0.424237E-1
50c50
<        -0.134717E-1        0.576323E-1        0.417014E-1
>        -0.194320E-1        0.545676E-1        0.378294E-1
51c51
<         0.107018E+1        0.125880E+1        0.162984E+1
>         0.104226E+1        0.118795E+1        0.160315E+1
52c52
<        -0.116594        0.737174E-1        0.651469E-1
>        -0.908703E-1        0.613292E-1        0.513664E-1
53c53
<        -0.139515        0.749663E-1       -0.727768E-1
>        -0.184868        0.117126       -0.842680E-1
54c54
<         0.311503E-1        0.830267E-1        0.173131E-1
>        -0.104660E-2        0.478114E-1        0.214921E-1
55c55
<         0.161369        0.288484        0.172899
>         0.159224        0.334703        0.229096
56c56
<        -0.104407       -0.584440E-1        0.450410E-1
>        -0.732305E-1       -0.416839E-1        0.327562E-1
57c57
<        -0.257477E-1       -0.607581E-1       -0.757762E-1
>        -0.283731E-1       -0.603222E-1       -0.715224E-1
58c58
<         0.589975E-1        0.586178E-1       -0.543875E-1
>         0.531963E-1        0.781754E-1       -0.502350E-1
59c59
<        -0.540862E-1        0.257083E-1        0.398082E-1
>        -0.627586E-1        0.302973E-1        0.593753E-1
60c60
<        -0.252251E-1        0.321116E-1       -0.874469E-1
>        -0.301724E-1        0.437014E-1       -0.842087E-1
61c61
<         0.335325        0.189602E+1       -0.150693E+1
>         0.368626        0.200493E+1       -0.169685E+1
62c62
<        -0.129551       -0.230848E-2       -0.982698E-1
>        -0.828974E-1       -0.468968E-3       -0.715244E-1
63c63
<        -0.979303E-1       -0.150435       -0.112663
>        -0.106566       -0.146840       -0.133899
64c64
<         0.432254E-1        0.352086E-1       -0.946188E-1
>         0.370688E-1        0.311786E-1       -0.891546E-1
65c65
<         0.937239E-1        0.161666       -0.325385
>         0.112181        0.209014       -0.277251
66c66
<        -0.921593E-1       -0.349714E-2        0.276326E-1
>        -0.771133E-1       -0.908525E-2        0.259124E-1
67c67
<         0.224617E-2       -0.788173E-1        0.771699E-1
>         0.455186E-2       -0.492590E-1        0.494064E-1
68c68
<         0.778447E-1       -0.325823E-1       -0.457954E-1
>         0.102698       -0.413671E-1       -0.455047E-1
69c69
<        -0.629048E-1        0.631041E-2       -0.387265E-1
>        -0.694257E-1        0.168563E-1       -0.427913E-1
70c70
<         0.221292E-1       -0.988581E-1       -0.165578E-1
>         0.239264E-1       -0.838497E-1       -0.192577E-1
71c71
<         0.136191E+1       -0.148144E+1       -0.136926E+1
>         0.128520E+1       -0.150362E+1       -0.162130E+1
72c72
<        -0.409689E-1       -0.112627        0.219642E-2
>        -0.391097E-1       -0.975902E-1        0.935258E-2
73c73
<        -0.573910E-1       -0.829680E-1        0.155634
>        -0.389233E-1       -0.100604        0.114325
74c74
<         0.788359E-1       -0.807380E-1       -0.630656E-2
>         0.832032E-1       -0.833475E-1        0.864369E-2
75c75
<         0.286679       -0.252255       -0.143914
>         0.368118       -0.343866       -0.105877
76c76
<        -0.193850       -0.384391E-1       -0.362227E-1
>        -0.124776       -0.165420E-1       -0.113841E-1
77c77
<        -0.311710E-1        0.880529E-1        0.502731E-1
>        -0.356456E-1        0.101845        0.749602E-1
78c78
<         0.835356E-1        0.167321E-2        0.411350E-1
>         0.942333E-1        0.325856E-2        0.368969E-1
79c79
<        -0.305986E-1       -0.702718E-1       -0.376135E-2
>        -0.481468E-1       -0.965918E-1       -0.761024E-2
80c80
<         0.168022E-1        0.287211E-2        0.670131E-1
>         0.179835E-1        0.832858E-2        0.118802
81c81
<         0.156670E+1       -0.626486        0.175230E+1
>         0.152770E+1       -0.616372        0.155513E+1
82c82
<        -0.670796E-1       -0.842285E-2        0.109473
>        -0.584766E-1       -0.955057E-3        0.981662E-1
83c83
<        -0.137068        0.133728        0.127251
>        -0.169085        0.143765        0.766586E-1
84c84
<         0.580886E-1        0.386241E-1        0.693629E-1
>         0.604342E-1        0.417152E-1        0.646569E-1
85c85
<         0.207635        0.223276E-1        0.293877
>         0.217697        0.315689E-1        0.268773
86c86
<        -0.438721E-1       -0.197506E-1       -0.527418E-2
>        -0.457053E-1       -0.244591E-1       -0.183216E-2
87c87
<        -0.418176E-1        0.167708E-1       -0.652838E-1
>        -0.488883E-1        0.214382E-1       -0.908717E-1
88c88
<         0.794070E-1        0.742002E-1       -0.440204E-2
>         0.893959E-1        0.124106       -0.341310E-2
89c89
<        -0.375672E-1       -0.138254E-1        0.566011E-1
>        -0.744489E-1       -0.195781E-1        0.699578E-1
90c90
<        -0.996458E-2        0.500236E-1       -0.325505E-3
>        -0.909065E-2        0.569799E-1       -0.227835E-2
91c91
<         0.137548E+1        0.296514E+1        0.166188E-1
>         0.157157E+1        0.307449E+1       -0.906196E-1
92c92
<        -0.118922        0.600378E-1       -0.310411E-1
>        -0.901368E-1        0.504863E-1       -0.172977E-1
93c93
<        -0.996900E-1       -0.127840E-1       -0.109732
>        -0.124938       -0.855546E-2       -0.137262
94c94
<         0.200725E-1        0.790624E-1       -0.316407E-1
>         0.172973E-1        0.661492E-1       -0.246246E-1
95c95
<         0.764985E-1        0.345579       -0.419960E-1
>         0.266156E-1        0.457240       -0.511206E-1
96c96
<        -0.573082E-1       -0.103631E-1        0.282031E-1
>        -0.720672E-1       -0.235277E-1        0.305452E-1
97c97
<         0.492508E-2       -0.894502E-1       -0.273185E-2
>        -0.460169E-2       -0.904542E-1       -0.104188E-1
98c98
<         0.808244E-1        0.152956E-1       -0.649813E-1
>         0.109235        0.154292E-1       -0.712836E-1
99c99
<        -0.637929E-1        0.342094E-1       -0.246476E-3
>        -0.738940E-1        0.308926E-1       -0.364483E-2
100c100
<         0.225487E-2       -0.461340E-1       -0.705520E-1
>        -0.123384E-2       -0.475318E-1       -0.825342E-1
101c101
<         0.304641E+1        0.227808E+1       -0.271866E+1
>         0.305087E+1        0.218079E+1       -0.273410E+1
102c102
<        -0.700348E-1       -0.840199E-1       -0.575366E-1
>        -0.516316E-1       -0.581160E-1       -0.469544E-1
103c103
<        -0.625990E-1       -0.228358        0.178170E-1
>        -0.791547E-1       -0.293434        0.127926E-1
104c104
<         0.512198E-1       -0.358328E-1       -0.806445E-1
>         0.479781E-1       -0.397924E-1       -0.602975E-1
105c105
<         0.183174       -0.775252E-1       -0.292860
>         0.178950       -0.726794E-1       -0.496519
106c106
<        -0.856798E-1        0.856402E-3        0.343157E-1
>        -0.105806       -0.543024E-2        0.438639E-1
107c107
<        -0.780707E-2        0.266862E-2        0.731210E-1
>        -0.146644E-1       -0.902643E-2        0.735247E-1
108c108
<         0.989354E-1       -0.373200E-1        0.377937E-2
>         0.149352       -0.501865E-1        0.186381E-2
109c109
<        -0.527154E-1       -0.398162E-1       -0.337135E-1
>        -0.484859E-1       -0.338410E-1       -0.460211E-1
110c110
<         0.216098E-1       -0.524516E-1        0.531640E-1
>         0.275412E-1       -0.527830E-1        0.471674E-1
111c111
<         0.418729E+1       -0.441842       -0.201715E+1
>         0.471748E+1       -0.786139       -0.180320E+1
112c112
<        -0.526042E-1       -0.823980E-1        0.911076E-1
>        -0.674282E-1       -0.100677        0.109819
113c113
<        -0.969588E-1        0.284714E-2        0.244469
>        -0.101529        0.308881E-1        0.189400
114c114
<         0.501937       -0.234438E-1        0.160497
>         0.421799        0.707581E-4        0.174661
115c115
<         0.389701       -0.219115        0.240190
>         0.443464       -0.209815        0.284528
116c116
<        -0.814272E-1       -0.177220E-1       -0.205224E-1
>        -0.581187E-1        0.116981E-1       -0.131984E-1
117c117
<        -0.395699E-1        0.680009E-1       -0.329187E-1
>        -0.428581E-1        0.647558E-1       -0.287465E-1
118c118
<         0.125530        0.843246E-1        0.337124E-1
>         0.128047        0.930946E-1        0.533396E-1
119c119
<        -0.306921E-1       -0.515483E-1        0.356747E-1
>        -0.309937E-1       -0.504978E-1        0.494007E-1
120c120
<         0.178353E+1        0.999458        0.143974E+1
>         0.186003E+1        0.102960E+1        0.144244E+1
121c121
<         0.354401        0.182098E+1       -0.402721E+1
>         0.248090        0.185682E+1       -0.402243E+1
123c123
<        -0.997185       -0.113347E+1       -0.198543
>        -0.106127E+1       -0.121791E+1       -0.279432
124c124
<        -0.746057        0.159701E+1       -0.141123E+1
>        -0.629699        0.133089E+1       -0.117861E+1
125c125
<         0.771399E-1       -0.102103       -0.502899E-1
>         0.776499E-1       -0.103121       -0.607603E-1
126c126
<         0.246946       -0.247218       -0.132553
>         0.227628       -0.176431       -0.845284E-1
127c127
<        -0.332472E-1        0.917471E-2       -0.694842E-2
>        -0.335041E-1        0.185692E-2       -0.125675E-1
128c128
<        -0.669223E-1        0.120027        0.119209E-1
>        -0.901656E-1        0.120600        0.198188E-1
129c129
<         0.791728E-1        0.586585E-2        0.427421E-1
>         0.898466E-1       -0.298446E-3        0.375712E-1
130c130
<        -0.238173E-1       -0.481344E-1        0.290763E-2
>        -0.132983E-1       -0.708621E-1        0.148196E-1
131c131
<        -0.226655E-1       -0.327571E-1       -0.361421
>        -0.425557E-1       -0.402510E-1       -0.415057
132c132
<         0.176389E+1       -0.327362        0.187527E+1
>         0.174894E+1       -0.482822        0.167837E+1
133c133
<        -0.235395        0.473897E-1       -0.945459E-1
>        -0.220911        0.397864E-1       -0.885006E-1
134c134
<        -0.232843E+1        0.426417E-1        0.845578E-1
>        -0.267917E+1        0.204102        0.103972
135c135
<         0.500975E-1        0.208581E-1        0.413677E-1
>         0.566372E-1        0.203867E-1        0.444130E-1
136c136
<         0.189296        0.453296E-1        0.283585
>         0.185260        0.853637E-1        0.380874
137c137
<        -0.386422E-1       -0.193585E-1       -0.242407E-1
>        -0.302625E-1       -0.143672E-1       -0.206682E-1
138c138
<        -0.627228E-1       -0.760789E-1       -0.166016
>        -0.701091E-1       -0.738699E-1       -0.154534
139c139
<         0.644684E-1        0.677495E-1       -0.832883E-2
>         0.584955E-1        0.111260       -0.210273E-2
140c140
<        -0.484555E-1       -0.121824E-1        0.626045E-1
>        -0.597060E-1       -0.247358E-1        0.843116E-1
141c141
<        -0.189356E-1        0.681189E-1       -0.225007E-1
>        -0.263120E-1        0.686589E-1       -0.237436E-1
142c142
<         0.536447        0.246819E+1        0.827477E-1
>         0.615685        0.243871E+1        0.328085
143c143
<        -0.931309E-1       -0.542181E-1       -0.244782E-1
>        -0.111110       -0.474998E-1       -0.273900E-1
144c144
<        -0.205709E+1       -0.674738       -0.334918
>        -0.205868E+1       -0.846978       -0.435210
145c145
<         0.365061E-2        0.577738E-1       -0.369026E-1
>         0.426408E-2        0.651249E-1       -0.463766E-1
146c146
<         0.877767E-1        0.388550       -0.797301E-1
>         0.810888E-1        0.367105       -0.590875E-1
147c147
<        -0.286575E-1       -0.508385E-1        0.320300E-1
>        -0.237179E-1       -0.398895E-1        0.305999E-1
148c148
<         0.610156E-3       -0.141341        0.580018E-1
>        -0.186209E-2       -0.158933        0.616200E-1
149c149
<         0.733599E-1        0.100767E-1       -0.631806E-1
>         0.591481E-1        0.568535E-2       -0.106415
150c150
<        -0.662908E-1        0.340839E-1       -0.751680E-2
>        -0.835362E-1        0.305967E-1       -0.470273E-2
151c151
<        -0.628404E-2       -0.509968E-1       -0.787733E-1
>        -0.377958E-2       -0.499528E-1       -0.838491E-1
152c152
<         0.778661        0.231343       -0.234218E+1
>         0.715776        0.174432       -0.221088E+1
153c153
<        -0.483296E-1       -0.525290E-1       -0.377167E-1
>        -0.657142E-1       -0.746281E-1       -0.545165E-1
154c154
<        -0.131902E+1       -0.866218       -0.235517
>        -0.131243E+1       -0.101008E+1       -0.168891
155c155
<         0.443288E-1       -0.294940E-1       -0.592781E-1
>         0.330633E-1       -0.250639E-1       -0.574695E-1
156c156
<         0.141491       -0.959324E-1       -0.324737
>         0.128821       -0.168380       -0.413903
157c157
<        -0.567115E-1       -0.471149E-2        0.109032E-1
>        -0.416754E-1       -0.607504E-2        0.163729E-1
158c158
<        -0.287793E-2        0.838534E-2        0.725254E-1
>        -0.565737E-2       -0.396453E-2        0.825750E-1
159c159
<         0.105529       -0.255478E-1        0.680296E-2
>         0.988247E-1       -0.187609E-1        0.199233E-1
160c160
<        -0.423946E-1       -0.431624E-1       -0.371045E-1
>        -0.515367E-1       -0.433788E-1       -0.416297E-1
161c161
<         0.220092E-1       -0.632640E-1        0.567887E-1
>         0.206989E-1       -0.553246E-1        0.458873E-1
162c162
<         0.177968E+1       -0.174267E+1        0.440427
>         0.162289E+1       -0.184884E+1        0.308321
163c163
<        -0.523499E-1       -0.733937E-1        0.934532E-1
>        -0.553088E-1       -0.845083E-1        0.913085E-1
164c164
<        -0.101290        0.206475E-1        0.221530
>        -0.110023       -0.124224E-1        0.338281
165c165
<         0.736655E-1       -0.331792E-1        0.412181E-1
>         0.612530E-1       -0.148972E-1        0.605717E-1
166c166
<         0.279841       -0.237995        0.145233
>         0.262918       -0.259017        0.246864
167c167
<        -0.544612E-1       -0.145991E-1       -0.719875E-2
>        -0.681039E-1       -0.202395E-1       -0.544398E-2
168c168
<        -0.411036E-1        0.837790E-1       -0.442764E-1
>        -0.504052E-1        0.815845E-1       -0.366362E-1
169c169
<         0.736806E-1        0.519349E-1        0.358451E-1
>         0.831398E-1        0.520655E-1        0.456799E-1
170c170
<        -0.346218E-1       -0.507853E-1        0.390707E-1
>        -0.343953E-1       -0.679932E-1        0.424237E-1
171c171
<        -0.134717E-1        0.576323E-1        0.417014E-1
>        -0.194320E-1        0.545676E-1        0.378294E-1
172c172
<         0.107018E+1        0.125880E+1        0.162984E+1
>         0.104226E+1        0.118795E+1        0.160315E+1
173c173
<        -0.116594        0.737174E-1        0.651469E-1
>        -0.908703E-1        0.613292E-1        0.513664E-1
174c174
<        -0.139515        0.749663E-1       -0.727768E-1
>        -0.184868        0.117126       -0.842680E-1
175c175
<         0.311503E-1        0.830267E-1        0.173131E-1
>        -0.104660E-2        0.478114E-1        0.214921E-1
176c176
<         0.161369        0.288484        0.172899
>         0.159224        0.334703        0.229096
177c177
<        -0.104407       -0.584440E-1        0.450410E-1
>        -0.732305E-1       -0.416839E-1        0.327562E-1
178c178
<        -0.257477E-1       -0.607581E-1       -0.757762E-1
>        -0.283731E-1       -0.603222E-1       -0.715224E-1
179c179
<         0.589975E-1        0.586178E-1       -0.543875E-1
>         0.531963E-1        0.781754E-1       -0.502350E-1
180c180
<        -0.540862E-1        0.257083E-1        0.398082E-1
>        -0.627586E-1        0.302973E-1        0.593753E-1
181c181
<        -0.252251E-1        0.321116E-1       -0.874469E-1
>        -0.301724E-1        0.437014E-1       -0.842087E-1
182c182
<         0.335325        0.189602E+1       -0.150693E+1
>         0.368626        0.200493E+1       -0.169685E+1
183c183
<        -0.129551       -0.230848E-2       -0.982698E-1
>        -0.828974E-1       -0.468968E-3       -0.715244E-1
184c184
<        -0.979303E-1       -0.150435       -0.112663
>        -0.106566       -0.146840       -0.133899
185c185
<         0.432254E-1        0.352086E-1       -0.946188E-1
>         0.370688E-1        0.311786E-1       -0.891546E-1
186c186
<         0.937239E-1        0.161666       -0.325385
>         0.112181        0.209014       -0.277251
187c187
<        -0.921593E-1       -0.349714E-2        0.276326E-1
>        -0.771133E-1       -0.908525E-2        0.259124E-1
188c188
<         0.224617E-2       -0.788173E-1        0.771699E-1
>         0.455186E-2       -0.492590E-1        0.494064E-1
189c189
<         0.778447E-1       -0.325823E-1       -0.457954E-1
>         0.102698       -0.413671E-1       -0.455047E-1
190c190
<        -0.629048E-1        0.631041E-2       -0.387265E-1
>        -0.694257E-1        0.168563E-1       -0.427913E-1
191c191
<         0.221292E-1       -0.988581E-1       -0.165578E-1
>         0.239264E-1       -0.838497E-1       -0.192577E-1
192c192
<         0.136191E+1       -0.148144E+1       -0.136926E+1
>         0.128520E+1       -0.150362E+1       -0.162130E+1
193c193
<        -0.409689E-1       -0.112627        0.219642E-2
>        -0.391097E-1       -0.975902E-1        0.935258E-2
194c194
<        -0.573910E-1       -0.829680E-1        0.155634
>        -0.389233E-1       -0.100604        0.114325
195c195
<         0.788359E-1       -0.807380E-1       -0.630656E-2
>         0.832032E-1       -0.833475E-1        0.864369E-2
196c196
<         0.286679       -0.252255       -0.143914
>         0.368118       -0.343866       -0.105877
197c197
<        -0.193850       -0.384391E-1       -0.362227E-1
>        -0.124776       -0.165420E-1       -0.113841E-1
198c198
<        -0.311710E-1        0.880529E-1        0.502731E-1
>        -0.356456E-1        0.101845        0.749602E-1
199c199
<         0.835356E-1        0.167321E-2        0.411350E-1
>         0.942333E-1        0.325856E-2        0.368969E-1
200c200
<        -0.305986E-1       -0.702718E-1       -0.376135E-2
>        -0.481468E-1       -0.965918E-1       -0.761024E-2
201c201
<         0.168022E-1        0.287211E-2        0.670131E-1
>         0.179835E-1        0.832858E-2        0.118802
202c202
<         0.156670E+1       -0.626486        0.175230E+1
>         0.152770E+1       -0.616372        0.155513E+1
203c203
<        -0.670796E-1       -0.842285E-2        0.109473
>        -0.584766E-1       -0.955057E-3        0.981662E-1
204c204
<        -0.137068        0.133728        0.127251
>        -0.169085        0.143765        0.766586E-1
205c205
<         0.580886E-1        0.386241E-1        0.693629E-1
>         0.604342E-1        0.417152E-1        0.646569E-1
206c206
<         0.207635        0.223276E-1        0.293877
>         0.217697        0.315689E-1        0.268773
207c207
<        -0.438721E-1       -0.197506E-1       -0.527418E-2
>        -0.457053E-1       -0.244591E-1       -0.183216E-2
208c208
<        -0.418176E-1        0.167708E-1       -0.652838E-1
>        -0.488883E-1        0.214382E-1       -0.908717E-1
209c209
<         0.794070E-1        0.742002E-1       -0.440204E-2
>         0.893959E-1        0.124106       -0.341310E-2
210c210
<        -0.375672E-1       -0.138254E-1        0.566011E-1
>        -0.744489E-1       -0.195781E-1        0.699578E-1
211c211
<        -0.996458E-2        0.500236E-1       -0.325505E-3
>        -0.909065E-2        0.569799E-1       -0.227835E-2
212c212
<         0.137548E+1        0.296514E+1        0.166188E-1
>         0.157157E+1        0.307449E+1       -0.906196E-1
213c213
<        -0.118922        0.600378E-1       -0.310411E-1
>        -0.901368E-1        0.504863E-1       -0.172977E-1
214c214
<        -0.996900E-1       -0.127840E-1       -0.109732
>        -0.124938       -0.855546E-2       -0.137262
215c215
<         0.200725E-1        0.790624E-1       -0.316407E-1
>         0.172973E-1        0.661492E-1       -0.246246E-1
216c216
<         0.764985E-1        0.345579       -0.419960E-1
>         0.266156E-1        0.457240       -0.511206E-1
217c217
<        -0.573082E-1       -0.103631E-1        0.282031E-1
>        -0.720672E-1       -0.235277E-1        0.305452E-1
218c218
<         0.492508E-2       -0.894502E-1       -0.273185E-2
>        -0.460169E-2       -0.904542E-1       -0.104188E-1
219c219
<         0.808244E-1        0.152956E-1       -0.649813E-1
>         0.109235        0.154292E-1       -0.712836E-1
220c220
<        -0.637929E-1        0.342094E-1       -0.246476E-3
>        -0.738940E-1        0.308926E-1       -0.364483E-2
221c221
<         0.225487E-2       -0.461340E-1       -0.705520E-1
>        -0.123384E-2       -0.475318E-1       -0.825342E-1
222c222
<         0.304641E+1        0.227808E+1       -0.271866E+1
>         0.305087E+1        0.218079E+1       -0.273410E+1
223c223
<        -0.700348E-1       -0.840199E-1       -0.575366E-1
>        -0.516316E-1       -0.581160E-1       -0.469544E-1
224c224
<        -0.625990E-1       -0.228358        0.178170E-1
>        -0.791547E-1       -0.293434        0.127926E-1
225c225
<         0.512198E-1       -0.358328E-1       -0.806445E-1
>         0.479781E-1       -0.397924E-1       -0.602975E-1
226c226
<         0.183174       -0.775252E-1       -0.292860
>         0.178950       -0.726794E-1       -0.496519
227c227
<        -0.856798E-1        0.856402E-3        0.343157E-1
>        -0.105806       -0.543024E-2        0.438639E-1
228c228
<        -0.780707E-2        0.266862E-2        0.731210E-1
>        -0.146644E-1       -0.902643E-2        0.735247E-1
229c229
<         0.989354E-1       -0.373200E-1        0.377937E-2
>         0.149352       -0.501865E-1        0.186381E-2
230c230
<        -0.527154E-1       -0.398162E-1       -0.337135E-1
>        -0.484859E-1       -0.338410E-1       -0.460211E-1
231c231
<         0.216098E-1       -0.524516E-1        0.531640E-1
>         0.275412E-1       -0.527830E-1        0.471674E-1
232c232
<         0.418729E+1       -0.441842       -0.201715E+1
>         0.471748E+1       -0.786139       -0.180320E+1
233c233
<        -0.526042E-1       -0.823980E-1        0.911076E-1
>        -0.674282E-1       -0.100677        0.109819
234c234
<        -0.969588E-1        0.284714E-2        0.244469
>        -0.101529        0.308881E-1        0.189400
235c235
<         0.501937       -0.234438E-1        0.160497
>         0.421799        0.707581E-4        0.174661
236c236
<         0.389701       -0.219115        0.240190
>         0.443464       -0.209815        0.284528
237c237
<        -0.814272E-1       -0.177220E-1       -0.205224E-1
>        -0.581187E-1        0.116981E-1       -0.131984E-1
238c238
<        -0.395699E-1        0.680009E-1       -0.329187E-1
>        -0.428581E-1        0.647558E-1       -0.287465E-1
239c239
<         0.125530        0.843246E-1        0.337124E-1
>         0.128047        0.930946E-1        0.533396E-1
240c240
<        -0.306921E-1       -0.515483E-1        0.356747E-1
>        -0.309937E-1       -0.504978E-1        0.494007E-1
241c241
<         0.178353E+1        0.999458        0.143974E+1
>         0.186003E+1        0.102960E+1        0.144244E+1
242c242
<         0.354401        0.182098E+1       -0.402721E+1
>         0.248090        0.185682E+1       -0.402243E+1
### Maximum absolute error in matching lines = 5.30e-01 at line 111 field 1
### Maximum relative error in matching lines = 3.08e+01 at line 54 field 1
---------------------------------------
possible FAILURE:  check force.dat.dif
/home/drpunit/amber12/test/sander_pbsa_frc/dbf_2/polyAT
2c2
<         0.555849E+1        0.581576E+1        0.164932E+1
>         0.621091E+1        0.781794E+1        0.239481E+1
3c3
<         0.162862E+1        0.125201       -0.930519
>         0.202897E+1        0.323844       -0.142971E+1
4c4
<         0.326463       -0.782074E-1        0.212936
>         0.297083       -0.893402E-1        0.197899
5c5
<        -0.582449E-2       -0.740987E-1        0.123343
>        -0.236635E-2       -0.144150        0.147091
6c6
<        -0.883962E-1        0.183446        0.114360
>        -0.850160E-1        0.186625        0.128209
7c7
<        -0.162450        0.133196        0.199437
>        -0.172273        0.160464        0.195956
8c8
<        -0.489068        0.209953        0.519343
>        -0.489353        0.253774        0.466252
9c9
<        -0.388962       -0.115827E+1        0.113794E+1
>        -0.400973       -0.116168E+1        0.123307E+1
10c10
<        -0.422091E-1       -0.464348E-1        0.242625E-1
>        -0.544014E-1       -0.619683E-1        0.330665E-1
11c11
<        -0.213447       -0.269758        0.629607E-1
>        -0.176840       -0.225011        0.417239E-1
12c12
<         0.291051E-2        0.629336E-2       -0.688688E-3
>         0.235495E-2        0.326638E-2        0.102474E-1
13c13
<         0.270599        0.314708        0.628950E-1
>         0.282067        0.355442       -0.172910E-1
14c14
<         0.522582        0.645041       -0.288245
>         0.465969        0.564805       -0.303110
15c15
<         0.392077E+1        0.129857        0.367947
>         0.427750E+1        0.234510        0.151427
16c16
<         0.959324E-1        0.218207E-1       -0.325651E-1
>         0.785082E-1        0.131785E-1        0.696133E-2
17c17
<        -0.407432E-2       -0.494624E-1        0.134927
>        -0.225534E-2       -0.472329E-1        0.202673
18c18
<         0.291121       -0.328344        0.281422
>         0.243406       -0.287519        0.135440
19c19
<        -0.421199E-1       -0.422987E-1        0.697220E-1
>        -0.694389E-1       -0.673692E-1        0.109309
20c20
<         0.345325E+1        0.158196E+1        0.258673
>         0.345390E+1        0.199581E+1        0.436080
21c21
<         0.650573E-1       -0.788286        0.608427
>         0.124194       -0.829631        0.572249
22c22
<        -0.166188       -0.217458        0.163627
>        -0.177084       -0.221886        0.140673
23c23
<        -0.384657       -0.317300       -0.774480E-1
>        -0.547457       -0.283425       -0.820299E-1
24c24
<        -0.288597E+1        0.375577        0.157242E+1
>        -0.331564E+1        0.370150        0.174360E+1
25c25
<        -0.360167E-1       -0.172918E-1        0.204482
>        -0.314057E-1       -0.174873E-1        0.171912
26c26
<        -0.247533E-1        0.139896       -0.196090E-1
>        -0.585806E-2        0.158185       -0.267794E-1
27c27
<         0.149160        0.354788       -0.385803E-1
>         0.102386        0.357921       -0.464907E-1
28c28
<         0.929092E-1       -0.356123E-2       -0.209404
>         0.772235E-1       -0.275840E-1       -0.200371
29c29
<         0.142791        0.109866       -0.992118E-1
>         0.193459        0.136075       -0.140494
30c30
<         0.114612E-2        0.208583E-3       -0.326880E-2
>         0.446173E-2        0.114661E-2       -0.131133E-1
31c31
<        -0.147242E+1        0.855270        0.152723E+1
>        -0.155320E+1        0.837806        0.151020E+1
32c32
<        -0.668840E-1        0.489564       -0.334981
>        -0.778899E-1        0.543694       -0.394753
33c33
<        -0.752268E+1        0.493293E+1       -0.148911E+1
>        -0.815128E+1        0.559702E+1       -0.195678E+1
34c34
<         0.487384E+1        0.473907E+1       -0.629709E+1
>         0.475540E+1        0.454955E+1       -0.741477E+1
35c35
<         0.258432E-1        0.786408E-1       -0.387888
>         0.435947E-1        0.880134E-1       -0.449599
36c36
<        -0.131002        0.215307E-1        0.225208
>        -0.145189       -0.597002E-2        0.190322
37c37
<         0.929530E-1       -0.204245        0.198562
>         0.888991E-1       -0.191990        0.161392
38c38
<        -0.185942        0.109388        0.835555E-1
>        -0.207370        0.147801        0.157493
39c39
<        -0.233808       -0.691035E-3        0.183319
>        -0.234225       -0.513974E-2        0.198886
40c40
<        -0.543902       -0.176038        0.476118
>        -0.611165       -0.331382        0.621802
41c41
<         0.207439       -0.133382E+1        0.135729E+1
>         0.466243E-1       -0.133807E+1        0.132615E+1
42c42
<        -0.166449E-1       -0.905206E-1        0.275696E-1
>        -0.146223E-1       -0.103614        0.340169E-1
43c43
<        -0.454040E-2       -0.301558        0.543143E-1
>        -0.324099E-2       -0.255089        0.500026E-1
44c44
<        -0.346320E-2        0.964504E-2       -0.249355E-1
>        -0.378325E-2        0.104724E-1       -0.271370E-1
45c45
<        -0.386585E-2        0.272998       -0.336160
>         0.832853E-2        0.342960       -0.381078
46c46
<         0.568761E-1        0.894441       -0.477046
>         0.359320E-1        0.870624       -0.452286
47c47
<         0.285488E+1        0.240572E+1       -0.985281
>         0.308486E+1        0.264907E+1       -0.106782E+1
48c48
<         0.381130E-1        0.941666E-1       -0.185610
>         0.364423E-1        0.101666       -0.198405
49c49
<         0.274676E-1       -0.231429E-1       -0.141809E-1
>         0.283079E-1       -0.318921E-1       -0.110861E-1
50c50
<         0.426711       -0.412486E-1       -0.365090
>         0.428803       -0.575095E-1       -0.430297
51c51
<         0.103329E-1       -0.892883E-1        0.150598
>         0.135451E-2       -0.608050E-1        0.920308E-1
52c52
<         0.153875E+1        0.343032E+1        0.328178
>         0.194560E+1        0.307101E+1        0.512923
53c53
<         0.609047       -0.506531        0.231030
>         0.557902       -0.354062        0.128162
54c54
<        -0.778896E-1       -0.437514        0.315422
>        -0.774970E-1       -0.371108        0.335254
55c55
<        -0.152822       -0.534038        0.891699E-2
>        -0.121316       -0.521539       -0.487057E-1
56c56
<        -0.245689E+1       -0.119992E+1        0.140065E+1
>        -0.274547E+1       -0.117156E+1        0.156239E+1
57c57
<        -0.276407E-1       -0.917012E-2        0.423034E-1
>        -0.322313E-1       -0.110141E-1        0.487619E-1
58c58
<        -0.128290        0.918449E-1        0.226766E-1
>        -0.111775        0.953992E-1        0.270146E-1
59c59
<        -0.504781E-1        0.428707        0.515475E-2
>        -0.123882        0.441250       -0.721083E-1
60c60
<         0.496916E-1        0.617011E-1       -0.247302
>         0.437936E-1        0.598329E-1       -0.237647
61c61
<         0.969433E-1        0.201950       -0.840034E-1
>         0.902836E-1        0.188441       -0.115703
62c62
<         0.651269E-2        0.783808E-2       -0.326516E-1
>         0.556967E-2        0.670057E-2       -0.279117E-1
63c63
<        -0.185959E+1       -0.298028        0.160942E+1
>        -0.185834E+1       -0.339688        0.162945E+1
64c64
<        -0.302180        0.298607       -0.430526
>        -0.269016        0.267141       -0.294550
65c65
<        -0.872419E+1        0.295821       -0.142975E+1
>        -0.960342E+1        0.563261       -0.137349E+1
66c66
<         0.136001E+1        0.646105E+1       -0.661294E+1
>         0.153086E+1        0.644679E+1       -0.664926E+1
67c67
<        -0.397443E-1        0.780968E-1       -0.388301
>        -0.327218E-1        0.675423E-1       -0.342596
68c68
<        -0.117010       -0.430950E-1        0.207437
>        -0.107881       -0.589556E-1        0.184489
69c69
<         0.153988       -0.899795E-1        0.166890
>         0.147960       -0.740636E-1        0.163645
70c70
<        -0.219914       -0.183760E-1        0.103505
>        -0.254222       -0.329671E-2        0.108674
71c71
<        -0.195809       -0.128841        0.226537
>        -0.214699       -0.131109        0.200196
72c72
<        -0.347290       -0.449548        0.504844
>        -0.300636       -0.584136        0.828540
73c73
<         0.866415       -0.880060        0.117271E+1
>         0.809538       -0.105940E+1        0.104660E+1
74c74
<         0.587522E-1       -0.979009E-1        0.359875E-1
>         0.604441E-1       -0.102058        0.363169E-1
75c75
<         0.143366       -0.215292        0.614290E-1
>         0.153749       -0.238790        0.848847E-1
76c76
<        -0.116832E-1        0.107851E-1       -0.381865E-1
>        -0.127853E-1        0.117405E-1       -0.415211E-1
77c77
<        -0.186298        0.400066       -0.440772
>        -0.174847        0.361984       -0.396115
78c78
<        -0.512546        0.617376       -0.390838
>        -0.556952        0.915791       -0.509586
79c79
<         0.757768        0.364466E+1       -0.126800E+1
>         0.785761        0.369928E+1       -0.104003E+1
80c80
<        -0.305531E-1        0.906343E-1       -0.182518
>        -0.213094E-1        0.848521E-1       -0.162088
81c81
<         0.432148E-1       -0.739425E-2        0.254420E-2
>         0.422191E-1       -0.604939E-2       -0.554424E-2
82c82
<         0.408552        0.223762       -0.332034
>         0.370416        0.191527       -0.360877
83c83
<         0.309027E-1       -0.404285E-1        0.766786E-1
>         0.389527E-1       -0.592513E-1        0.971175E-1
84c84
<        -0.682841        0.373200E+1        0.343895
>        -0.595549        0.458073E+1        0.503424
85c85
<         0.638016       -0.484607E-1        0.121385
>         0.520232       -0.653215E-1        0.245040E-1
86c86
<         0.132164       -0.210881        0.219826
>         0.129440       -0.221160        0.220338
87c87
<         0.154839       -0.596271       -0.420671E-1
>         0.116697       -0.603613        0.742787E-2
88c88
<        -0.138383E+1       -0.275497E+1        0.133087E+1
>        -0.134141E+1       -0.266924E+1        0.148910E+1
89c89
<        -0.170682E-1       -0.260377E-1        0.445180E-1
>        -0.224447E-1       -0.327065E-1        0.574387E-1
90c90
<        -0.189240        0.243546E-1       -0.105570E-1
>        -0.166253        0.234786E-1       -0.517451E-2
91c91
<        -0.292479        0.261803       -0.318944E-1
>        -0.282174        0.310250       -0.296844E-1
92c92
<         0.273292E-1        0.576307E-1       -0.185642
>         0.111399E-1        0.634390E-1       -0.212002
93c93
<        -0.197885E-1        0.188886       -0.689448E-1
>        -0.562208E-1        0.185399       -0.920249E-1
94c94
<         0.568864E-3        0.686758E-2       -0.221167E-1
>         0.570645E-3        0.834535E-2       -0.271924E-1
95c95
<        -0.128228E+1       -0.121231E+1        0.157643E+1
>        -0.145525E+1       -0.135768E+1        0.184415E+1
96c96
<        -0.503463        0.585644E-1       -0.461343
>        -0.480750        0.943715E-1       -0.570360
97c97
<        -0.718261E+1       -0.529526E+1       -0.149787E+1
>        -0.891518E+1       -0.511248E+1       -0.157949E+1
98c98
<        -0.284115E+1        0.561384E+1       -0.657126E+1
>        -0.303459E+1        0.618401E+1       -0.622507E+1
99c99
<        -0.855960E-1        0.423876E-1       -0.414566
>        -0.665041E-1        0.276153E-1       -0.319464
100c100
<        -0.524051E-1       -0.121143        0.165103
>        -0.557879E-1       -0.138872        0.171707
101c101
<         0.308745        0.364210E-1        0.192112
>         0.310243        0.400973E-1        0.288054
102c102
<        -0.213446       -0.129628        0.968011E-1
>        -0.164461       -0.119293        0.803129E-1
103c103
<        -0.811967E-1       -0.250889        0.292103
>        -0.570167E-1       -0.198795        0.248449
104c104
<         0.969834E-2       -0.556035        0.491301
>         0.421546E-1       -0.667239        0.517186
105c105
<         0.124796E+1       -0.310594        0.104881E+1
>         0.121267E+1       -0.429988        0.110780E+1
106c106
<         0.508853E-1       -0.198848E-1        0.283817E-1
>         0.752908E-1       -0.340600E-1        0.317574E-1
107c107
<         0.385712       -0.132027        0.924702E-1
>         0.250780       -0.857933E-1        0.780021E-1
108c108
<        -0.102720E-1        0.306281E-3       -0.242515E-1
>        -0.111415E-1        0.131920E-3       -0.268813E-1
109c109
<        -0.260810        0.125664       -0.407992
>        -0.271454        0.136369       -0.371055
110c110
<        -0.847073        0.423742       -0.503844
>        -0.868071        0.365373       -0.535802
111c111
<        -0.144739E+1        0.361303E+1       -0.124648E+1
>        -0.153598E+1        0.414662E+1       -0.119336E+1
112c112
<        -0.663637E-1        0.387195E-1       -0.149274
>        -0.564426E-1        0.315167E-1       -0.134274
113c113
<         0.484790E-1        0.225256E-1       -0.397799E-2
>         0.646940E-1        0.307817E-1       -0.209101E-1
114c114
<         0.913565E-1        0.324732       -0.263699
>         0.113614        0.441417       -0.312509
115c115
<         0.687378E-1       -0.275108E-1        0.985000E-1
>         0.660450E-1       -0.196901E-1        0.103716
116c116
<        -0.271772E+1        0.269855E+1        0.150064
>        -0.290463E+1        0.257138E+1        0.186655
117c117
<         0.582367        0.377171        0.665381E-1
>         0.654826        0.446188        0.148606
118c118
<         0.269083       -0.152407        0.239897
>         0.265843       -0.147284        0.227019
119c119
<         0.428723       -0.332210        0.477337E-1
>         0.457833       -0.319895        0.733393E-1
120c120
<         0.342755       -0.285166E+1        0.147265E+1
>         0.515891       -0.303121E+1        0.158216E+1
121c121
<         0.450503E-2       -0.442543E-1        0.638889E-1
>         0.192275E-2       -0.387830E-1        0.586942E-1
122c122
<        -0.114821       -0.373968E-1        0.443998E-2
>        -0.124960       -0.489758E-1       -0.782008E-2
123c123
<        -0.447039        0.659584E-1       -0.441562E-1
>        -0.408036        0.804147E-1       -0.557794E-1
124c124
<         0.200646E-1        0.903248E-1       -0.264601
>         0.338570E-1        0.724651E-1       -0.280212
125c125
<        -0.134584        0.908902E-1       -0.131483
>        -0.174710        0.108328       -0.119816
126c126
<        -0.116901E-2        0.252676E-2       -0.777553E-2
>        -0.104910E-2        0.210155E-2       -0.681028E-2
127c127
<        -0.307728       -0.176346E+1        0.159897E+1
>        -0.323942       -0.211510E+1        0.190639E+1
128c128
<        -0.398296       -0.192921       -0.253892
>        -0.253838       -0.168242       -0.247095
129c129
<        -0.268490E+1       -0.836042E+1       -0.193398E+1
>        -0.419069E+1       -0.982878E+1       -0.231543E+1
130c130
<        -0.574541E+1        0.324476E+1       -0.647893E+1
>        -0.670910E+1        0.368769E+1       -0.603356E+1
131c131
<        -0.989626E-1       -0.192302E-1       -0.409516
>        -0.836453E-1       -0.330710E-1       -0.359984
132c132
<         0.222377E-1       -0.124621        0.194604
>         0.235062E-2       -0.152267        0.193698
133c133
<         0.146153        0.152559        0.219472
>         0.145641        0.163579        0.185478
134c134
<        -0.569532E-1       -0.251620        0.872920E-1
>        -0.537684E-1       -0.224478        0.895499E-1
135c135
<         0.907416E-1       -0.229046        0.220285
>         0.764522E-1       -0.216653        0.203931
136c136
<         0.324011       -0.429241        0.450710
>         0.415558       -0.490819        0.514484
137c137
<         0.131769E+1        0.451652        0.124966E+1
>         0.155972E+1        0.522121        0.143498E+1
138c138
<         0.281819       -0.684687E-1       -0.235794
>         0.262277       -0.332560E-1       -0.220110
139c139
<         0.922712       -0.220106       -0.663825
>         0.940824       -0.247915       -0.834543
140c140
<         0.915389E-3       -0.305573E-2       -0.529864E-1
>         0.360649E-3       -0.297928E-2       -0.311271E-1
141c141
<        -0.302097       -0.660562E-1       -0.238542
>        -0.355065       -0.600544E-1       -0.255546
142c142
<        -0.113670E+1       -0.162873       -0.518703
>        -0.103783E+1       -0.273180       -0.652938
143c143
<        -0.328934E+1        0.201056E+1       -0.122722E+1
>        -0.347669E+1        0.176926E+1       -0.127956E+1
144c144
<        -0.652841E-1       -0.180779E-1       -0.292194
>        -0.449270E-1       -0.130286E-1       -0.235396
145c145
<         0.164730E-1        0.329517E-1       -0.139399
>         0.181537E-1        0.259840E-1       -0.207031
146c146
<        -0.130298        0.328874       -0.327012
>        -0.110415        0.438994       -0.422849
147c147
<         0.779885E-1        0.196440E-1        0.108732
>         0.139528        0.380562E-1        0.201530
148c148
<        -0.393205E+1        0.560494        0.347727
>        -0.435382E+1        0.615404       -0.544520E-1
149c149
<         0.269305        0.757771       -0.530387
>         0.230288        0.711895       -0.939597
150c150
<         0.480831        0.388773E-1       -0.241101E-2
>         0.401794        0.364159E-1       -0.730737E-1
151c151
<         0.528106        0.561959E-1       -0.418096E-1
>         0.568580        0.779681E-1        0.323268E-2
152c152
<         0.217178E+1       -0.259520E+1       -0.265344E-1
>         0.234505E+1       -0.292268E+1       -0.169082
153c153
<        -0.143300E-2       -0.571335E-1       -0.170630
>         0.155563E-2       -0.488730E-1       -0.163046
154c154
<        -0.427665E-1       -0.307492        0.185610E-2
>        -0.419035E-1       -0.206049        0.405543E-2
155c155
<        -0.371214       -0.143223       -0.564021E-2
>        -0.414180       -0.144109       -0.113240E-2
156c156
<        -0.534436E-1       -0.150554E-1       -0.143943
>        -0.210023E-1       -0.269787E-3       -0.139092
157c157
<        -0.196465        0.487600E-1       -0.100462
>        -0.270407        0.580939E-1       -0.907609E-1
158c158
<         0.258446       -0.323223E-1       -0.305776
>         0.284739       -0.681011E-1       -0.368810
159c159
<         0.367793E+1       -0.353155E+1        0.284145E+1
>         0.369839E+1       -0.430996E+1        0.313417E+1
160c160
<         0.190750E+1       -0.199106E+1       -0.661841E+1
>         0.122159E+1       -0.170494E+1       -0.708364E+1
161c161
<        -0.143380E+1        0.703072E+1       -0.109539E+1
>        -0.156742E+1        0.712464E+1       -0.232639E+1
162c162
<        -0.101702E+1        0.915494        0.813422
>        -0.130422E+1        0.112688E+1        0.838081
163c163
<        -0.203988        0.168780       -0.192193
>        -0.264611        0.169870       -0.212449
164c164
<        -0.373819E-1       -0.653521E-1       -0.131078
>        -0.440942E-1       -0.850290E-1       -0.173641
165c165
<         0.182049        0.953258E-1       -0.128489
>         0.251586        0.123327       -0.154043
166c166
<         0.239922       -0.971828E-2       -0.235991
>         0.230755       -0.311001E-1       -0.192787
167c167
<         0.531621       -0.101722       -0.465028
>         0.556099       -0.254169       -0.492347
168c168
<        -0.341309       -0.111513E+1       -0.118815E+1
>        -0.258175       -0.118416E+1       -0.118367E+1
169c169
<         0.121979E-1       -0.576028E-1       -0.172310E-1
>         0.610492E-2       -0.280513E-1       -0.907035E-2
171c171
<        -0.441745E-2       -0.428395E-2       -0.328798E-1
>        -0.459323E-2       -0.553490E-2       -0.324146E-1
172c172
<         0.692547E-1        0.220576       -0.760548E-1
>         0.739428E-1        0.176491       -0.118427
173c173
<        -0.787519E-1        0.850962        0.284323
>        -0.250712E-1        0.998029        0.371867
174c174
<        -0.561307E-2       -0.864401E-2        0.331381E-1
>        -0.917752E-2       -0.609256E-2        0.345270E-1
175c175
<         0.103657E-1        0.122359E-1       -0.618512E-2
>        -0.411839E-2        0.582620E-2       -0.810749E-2
176c176
<         0.203591E-1        0.740928E-1        0.737037E-1
>         0.177613E-1        0.650414E-1        0.746317E-1
177c177
<        -0.630219E-1       -0.298814E-2        0.174508E-1
>        -0.549064E-1       -0.692946E-2        0.240938E-1
178c178
<         0.150922E-1        0.515416E-1       -0.854989E-1
>         0.227932E-1        0.569418E-1       -0.127181
179c179
<        -0.220709E-1        0.220136E-1       -0.104211
>        -0.104703E-1        0.145375E-1       -0.149175
180c180
<        -0.243469E+1        0.714222       -0.828926E-1
>        -0.255400E+1        0.646296       -0.186866
181c181
<        -0.246739       -0.412018       -0.443338E-1
>        -0.244441       -0.459725       -0.324272E-1
182c182
<         0.751474E-1       -0.791613E-1        0.104009
>         0.602170E-1       -0.638710E-1        0.883166E-1
183c183
<        -0.107343E-1        0.369832E-2       -0.217682
>        -0.580840E-2       -0.100049E-2       -0.246975
184c184
<         0.127851E+1       -0.361009E+1       -0.163692E+1
>         0.139676E+1       -0.367936E+1       -0.154375E+1
185c185
<         0.869692E-1        0.108293       -0.199867E-1
>         0.825435E-1        0.730505E-1       -0.116826E-1
186c186
<         0.811722E-1        0.336440        0.774333E-1
>         0.437566E-1        0.308388        0.101613
187c187
<         0.902422E-2        0.341283E-1        0.359936E-1
>         0.151331E-1        0.503764E-1        0.502169E-1
188c188
<        -0.172617E-1        0.253058        0.114345
>        -0.384167E-1        0.238568        0.843913E-1
190c190
<         0.179362E+1       -0.252294       -0.163119E+1
>         0.185874E+1       -0.234322       -0.165659E+1
191c191
<         0.248208        0.270452        0.312178
>         0.216125        0.233082        0.418818
192c192
<         0.874341E+1        0.258586        0.201527E+1
>         0.100170E+2        0.498358        0.206730E+1
193c193
<        -0.819411        0.684297E+1        0.650706E+1
>        -0.142730E+1        0.688878E+1        0.781213E+1
194c194
<         0.523425E-1        0.478481E-1        0.285327
>         0.612042E-1        0.147834E-1        0.193779
195c195
<         0.941309E-1       -0.812350E-1       -0.196714
>         0.593640E-1       -0.652559E-1       -0.211228
196c196
<        -0.199730       -0.101030       -0.260546
>        -0.190894       -0.109048       -0.236149
197c197
<         0.229232       -0.988898E-2       -0.103900
>         0.245496       -0.663057E-1       -0.981089E-1
198c198
<         0.193719       -0.135411       -0.208213
>         0.234105       -0.120057       -0.212839
199c199
<         0.353569       -0.417752       -0.543785
>         0.438633       -0.699604       -0.632098
200c200
<        -0.781019       -0.101899E+1       -0.110257E+1
>        -0.811093       -0.130489E+1       -0.125517E+1
201c201
<        -0.282895E-1       -0.661546E-1       -0.226139E-1
>        -0.244467E-1       -0.582154E-1       -0.196192E-1
204c204
<         0.115909        0.106459        0.106200
>         0.120679        0.109896        0.109255
205c205
<         0.433130        0.571424        0.490399
>         0.442400        0.650661        0.473036
206c206
<        -0.577090E-2        0.637038E-2        0.532122E-1
>         0.283656E-2        0.212860E-2        0.333238E-1
207c207
<         0.237011        0.744356E-1        0.198541E-1
>         0.209922        0.662526E-1        0.140539E-1
208c208
<         0.811299E-1        0.520488E-1        0.831208E-1
>         0.110269        0.666678E-1        0.824463E-1
209c209
<        -0.882697E-1        0.351670E-1        0.579612E-3
>        -0.107762        0.632283E-1        0.285944E-2
210c210
<        -0.328841E-2        0.144009E-1       -0.612067E-2
>        -0.399377E-2        0.167539E-1       -0.722664E-2
211c211
<        -0.402030E-2        0.333127E-1        0.756215E-1
>        -0.318471E-2        0.126877E-1        0.319655E-1
212c212
<        -0.132748E+1        0.201859E+1        0.837895
>        -0.132761E+1        0.207431E+1        0.994776
213c213
<        -0.440723       -0.232897        0.480541E-2
>        -0.518498       -0.258752        0.402304E-1
214c214
<         0.100074E-1       -0.647891E-1        0.685500E-1
>         0.381436E-2       -0.275132E-1        0.305488E-1
215c215
<        -0.688447E-2       -0.531609E-1       -0.157567
>        -0.116856E-2       -0.529261E-1       -0.176710
216c216
<        -0.695815       -0.309041E+1       -0.131508E+1
>        -0.657460       -0.311261E+1       -0.139601E+1
217c217
<         0.193864        0.163744E-1       -0.930427E-3
>         0.164704        0.303347E-1       -0.794260E-2
218c218
<         0.272938        0.277989        0.328833E-1
>         0.256781        0.236275        0.337462E-1
219c219
<         0.418870E-1        0.416401E-1        0.581733E-1
>         0.431079E-1        0.411228E-1        0.524122E-1
220c220
<         0.276164E-1        0.224488        0.822484E-1
>         0.502491E-1        0.207653        0.888704E-1
222c222
<         0.127484E+1       -0.120853E+1       -0.152164E+1
>         0.120459E+1       -0.121871E+1       -0.139137E+1
223c223
<         0.403528        0.488327E-1        0.285460
>         0.415012        0.295898E-1        0.236075
224c224
<         0.716089E+1       -0.531891E+1        0.121278E+1
>         0.868085E+1       -0.579386E+1        0.175148E+1
225c225
<         0.327204E+1        0.550369E+1        0.647713E+1
>         0.416419E+1        0.689873E+1        0.783841E+1
226c226
<         0.623776E-1        0.206794E-1        0.283822
>         0.831056E-1        0.360130E-1        0.375986
227c227
<         0.787584E-1       -0.139832       -0.238131
>         0.381884E-1       -0.129628       -0.212110
228c228
<        -0.186596        0.113304E-1       -0.237678
>        -0.174661       -0.125986E-1       -0.210221
229c229
<         0.179816       -0.131629       -0.947929E-1
>         0.212536       -0.187389       -0.124910
230c230
<         0.690894E-1       -0.205427       -0.228793
>         0.543854E-1       -0.210811       -0.248856
231c231
<         0.949384E-2       -0.573776       -0.421940
>         0.168277E-2       -0.609215       -0.440584
232c232
<        -0.122325E+1       -0.366518       -0.972855
>        -0.121357E+1       -0.415819       -0.110872E+1
233c233
<        -0.593613E-1       -0.392457E-1       -0.226314E-1
>        -0.467846E-1       -0.295840E-1       -0.157422E-1
236c236
<         0.176560        0.175559E-1        0.117092
>         0.137968        0.813274E-2        0.982672E-1
237c237
<         0.637981        0.182118        0.413449
>         0.515358        0.161823        0.358253
238c238
<        -0.762354E-3        0.615504E-2        0.458254E-1
>         0.368983E-3        0.427022E-2        0.342647E-1
239c239
<         0.203474       -0.549094E-1        0.185577E-1
>         0.160074       -0.434938E-1        0.160554E-1
240c240
<         0.809909E-1       -0.105440E-1        0.802420E-1
>         0.699229E-1       -0.619374E-3        0.743948E-1
241c241
<        -0.295310E-1        0.804167E-1        0.342840E-2
>        -0.120706E-1        0.735495E-1        0.955883E-2
242c242
<         0.179239E-1        0.384541E-1       -0.173130E-1
>         0.101501E-1        0.226799E-1       -0.115413E-1
243c243
<         0.458682E-2        0.132262E-1        0.317356E-1
>         0.587001E-2        0.167216E-1        0.301130E-1
244c244
<         0.328433E-3        0.235548E+1        0.739896
>        -0.353917E-1        0.291803E+1        0.102565E+1
245c245
<        -0.435433        0.632424E-1       -0.117185
>        -0.433797        0.608239E-1       -0.149148
246c246
<        -0.338781E-1       -0.593565E-1        0.740046E-1
>        -0.286761E-1       -0.508420E-1        0.613975E-1
247c247
<        -0.256895E-1       -0.285993E-1       -0.116441
>        -0.321843E-1       -0.232004E-1       -0.120575
248c248
<        -0.261769E+1       -0.226695E+1       -0.144940E+1
>        -0.253351E+1       -0.262345E+1       -0.171752E+1
249c249
<         0.981085E-1       -0.518528E-1       -0.619719E-2
>         0.117959       -0.691476E-1       -0.536551E-2
250c250
<         0.440144        0.689448E-1        0.471358E-2
>         0.480671        0.644349E-1        0.279576E-1
251c251
<         0.801073E-1       -0.614756E-2        0.552571E-1
>         0.748199E-1       -0.138140E-2        0.503386E-1
252c252
<         0.189414        0.974737E-1        0.146975
>         0.174003        0.109381        0.112566
254c254
<         0.439260       -0.191704E+1       -0.155037E+1
>         0.349764       -0.184491E+1       -0.162352E+1
255c255
<         0.372439       -0.236621        0.349196
>         0.274333       -0.219108        0.168630
256c256
<         0.297413E+1       -0.823406E+1        0.152115E+1
>         0.300689E+1       -0.992324E+1        0.209384E+1
257c257
<         0.612373E+1        0.262362E+1        0.638613E+1
>         0.742326E+1        0.313602E+1        0.758087E+1
258c258
<         0.674072E-1       -0.341471E-1        0.290888
>         0.696409E-1       -0.420237E-1        0.291616
259c259
<        -0.279015E-1       -0.144547       -0.226945
>        -0.482443E-1       -0.106288       -0.208916
260c260
<        -0.167636        0.146899       -0.230451
>        -0.158053        0.142853       -0.219578
261c261
<         0.568365E-1       -0.254777       -0.963973E-1
>         0.651843E-1       -0.266925       -0.127545
262c262
<        -0.485698E-1       -0.237868       -0.188431
>        -0.447612E-1       -0.232485       -0.207351
263c263
<        -0.331036       -0.458257       -0.487341
>        -0.354762       -0.453494       -0.614120
264c264
<        -0.118682E+1        0.301322       -0.103425E+1
>        -0.132031E+1        0.290861       -0.904307
265c265
<        -0.112727        0.840717E-2       -0.288283E-1
>        -0.929666E-1        0.609727E-2       -0.249926E-1
268c268
<         0.141543       -0.840887E-1        0.113318
>         0.109516       -0.764857E-1        0.103901
269c269
<         0.675110       -0.228513        0.466540
>         0.711740       -0.381980        0.561945
270c270
<         0.404056E-2        0.988862E-2        0.533280E-1
>         0.351307E-2        0.600399E-2        0.452062E-1
271c271
<         0.138530       -0.210887        0.224366E-1
>         0.127597       -0.155919        0.184368E-1
272c272
<         0.628599E-1       -0.571393E-1        0.671694E-1
>         0.713473E-1       -0.824326E-1        0.101257
273c273
<         0.128239E-1        0.118200        0.526303E-2
>         0.205664E-1        0.146825       -0.965095E-2
274c274
<         0.195340E-1        0.101649E-1       -0.101834E-1
>         0.213104E-1        0.119923E-1       -0.115069E-1
275c275
<         0.826589E-2        0.152335E-1        0.482867E-1
>         0.137703E-1        0.176469E-1        0.593427E-1
276c276
<         0.142643E+1        0.186838E+1        0.637998
>         0.158786E+1        0.203267E+1        0.631501
277c277
<        -0.393526        0.416363        0.708811E-1
>        -0.227296        0.332608        0.637074E-1
278c278
<        -0.109365       -0.528965E-1        0.124660
>        -0.108279       -0.522462E-1        0.124195
279c279
<        -0.343494E-1        0.476720E-3       -0.106023
>        -0.293565E-1        0.868449E-2       -0.733728E-1
280c280
<        -0.363398E+1       -0.465429       -0.124209E+1
>        -0.364036E+1       -0.410337       -0.143364E+1
281c281
<         0.882264E-1       -0.142667        0.275074E-1
>         0.614364E-1       -0.109543        0.100704E-1
282c282
<         0.352123       -0.186243       -0.215495E-1
>         0.410658       -0.161428        0.613850E-1
283c283
<         0.110919       -0.920679E-1        0.731495E-1
>         0.508154E-1       -0.318029E-1        0.361596E-1
284c284
<         0.275197       -0.625892E-1        0.193074
>         0.260497       -0.185384E-1        0.150875
286c286
<        -0.715072       -0.164600E+1       -0.155124E+1
>        -0.657413       -0.182388E+1       -0.168856E+1
287c287
<         0.124805       -0.374635        0.372333
>         0.652338E-1       -0.315391        0.363620
288c288
<        -0.287398E+1       -0.831907E+1        0.149637E+1
>        -0.381048E+1       -0.930324E+1        0.121732E+1
289c289
<         0.669918E+1       -0.115373E+1        0.633300E+1
>         0.646498E+1       -0.136379E+1        0.661997E+1
290c290
<         0.252024E-1       -0.765344E-1        0.279600
>         0.320529E-1       -0.753368E-1        0.296584
291c291
<        -0.117749       -0.953476E-1       -0.186853
>        -0.126107       -0.996827E-1       -0.184372
292c292
<        -0.470734E-1        0.262072       -0.229545
>        -0.423130E-1        0.263181       -0.260486
293c293
<        -0.730563E-1       -0.186267       -0.104082
>        -0.704675E-1       -0.181663       -0.106148
294c294
<        -0.220103       -0.135831       -0.185131
>        -0.204333       -0.109088       -0.153758
295c295
<        -0.453268       -0.106525       -0.583723
>        -0.445504       -0.200181       -0.667566
296c296
<        -0.830112        0.105506E+1       -0.115341E+1
>        -0.863629        0.115255E+1       -0.110101E+1
297c297
<        -0.291560        0.132665        0.305629
>        -0.239309        0.111278        0.295863
298c298
<        -0.889315        0.241814        0.702130
>        -0.783998        0.192689        0.577052
299c299
<        -0.469138E-2        0.127424E-2        0.800839E-1
>        -0.457072E-2        0.377179E-3        0.770794E-1
300c300
<         0.857139E-1       -0.164731        0.118535
>         0.633918E-1       -0.146365        0.116250
301c301
<         0.347510       -0.519068        0.412677
>         0.302307       -0.490372        0.406417
302c302
<        -0.859447E-2        0.841881E-2        0.484014E-1
>        -0.414164E-2        0.795121E-2        0.443178E-1
303c303
<         0.226949E-1       -0.276659        0.434519E-2
>         0.157550E-1       -0.244435        0.483479E-2
304c304
<         0.196048E-1       -0.898166E-1        0.696488E-1
>         0.118156E-1       -0.101787        0.833643E-1
305c305
<         0.690197E-1        0.811564E-1       -0.374807E-2
>         0.697770E-1        0.832521E-1       -0.101541E-2
306c306
<         0.224857E-1       -0.195711E-2       -0.104865E-1
>         0.224864E-1       -0.172566E-2       -0.106960E-1
307c307
<        -0.131521E-1       -0.137800E-1        0.142785
>        -0.188441E-1       -0.286321E-1        0.215849
308c308
<         0.232829E+1        0.610579        0.698820
>         0.213728E+1        0.613563        0.690746
309c309
<        -0.103592        0.498926       -0.621604E-1
>        -0.983020E-1        0.524137        0.607380E-1
310c310
<        -0.840497E-1        0.246528E-1        0.132411
>        -0.931119E-1        0.344808E-1        0.190561
311c311
<        -0.123969E-1       -0.334231E-1        0.173943
>        -0.660248E-2       -0.649129E-1        0.264691
312c312
<        -0.390810E+1        0.171572E+1        0.116780
>        -0.387407E+1        0.170823E+1        0.374030
313c313
<        -0.801700E-1       -0.208353        0.340744E-1
>        -0.996676E-1       -0.240316        0.299858E-1
314c314
<         0.171531       -0.297610       -0.417449E-2
>         0.164829       -0.416308        0.350205E-1
315c315
<         0.195986E-1       -0.127039E-1        0.128795
>         0.829300E-2       -0.218499E-1        0.137698
316c316
<         0.200143       -0.101904        0.773286E-1
>         0.260532       -0.143977        0.751966E-1
317c317
<        -0.199167        0.155331        0.300108
>        -0.275502        0.157225        0.327333
318c318
<        -0.473782E+1       -0.585011       -0.259334E+1
>        -0.516473E+1       -0.951874       -0.259610E+1
319c319
<        -0.247481E+1       -0.528352        0.703797E+1
>        -0.246734E+1       -0.572784        0.932825E+1
321c321
<         0.555849E+1        0.581576E+1        0.164932E+1
>         0.621091E+1        0.781794E+1        0.239481E+1
322c322
<         0.162862E+1        0.125201       -0.930519
>         0.202897E+1        0.323844       -0.142971E+1
323c323
<         0.326463       -0.782074E-1        0.212936
>         0.297083       -0.893402E-1        0.197899
324c324
<        -0.582449E-2       -0.740987E-1        0.123343
>        -0.236635E-2       -0.144150        0.147091
325c325
<        -0.883962E-1        0.183446        0.114360
>        -0.850160E-1        0.186625        0.128209
326c326
<        -0.162450        0.133196        0.199437
>        -0.172273        0.160464        0.195956
327c327
<        -0.489068        0.209953        0.519343
>        -0.489353        0.253774        0.466252
328c328
<        -0.388962       -0.115827E+1        0.113794E+1
>        -0.400973       -0.116168E+1        0.123307E+1
329c329
<        -0.422091E-1       -0.464348E-1        0.242625E-1
>        -0.544014E-1       -0.619683E-1        0.330665E-1
330c330
<        -0.213447       -0.269758        0.629607E-1
>        -0.176840       -0.225011        0.417239E-1
331c331
<         0.291051E-2        0.629336E-2       -0.688688E-3
>         0.235495E-2        0.326638E-2        0.102474E-1
332c332
<         0.270599        0.314708        0.628950E-1
>         0.282067        0.355442       -0.172910E-1
333c333
<         0.522582        0.645041       -0.288245
>         0.465969        0.564805       -0.303110
334c334
<         0.392077E+1        0.129857        0.367947
>         0.427750E+1        0.234510        0.151427
335c335
<         0.959324E-1        0.218207E-1       -0.325651E-1
>         0.785082E-1        0.131785E-1        0.696133E-2
336c336
<        -0.407432E-2       -0.494624E-1        0.134927
>        -0.225534E-2       -0.472329E-1        0.202673
337c337
<         0.291121       -0.328344        0.281422
>         0.243406       -0.287519        0.135440
338c338
<        -0.421199E-1       -0.422987E-1        0.697220E-1
>        -0.694389E-1       -0.673692E-1        0.109309
339c339
<         0.345325E+1        0.158196E+1        0.258673
>         0.345390E+1        0.199581E+1        0.436080
340c340
<         0.650573E-1       -0.788286        0.608427
>         0.124194       -0.829631        0.572249
341c341
<        -0.166188       -0.217458        0.163627
>        -0.177084       -0.221886        0.140673
342c342
<        -0.384657       -0.317300       -0.774480E-1
>        -0.547457       -0.283425       -0.820299E-1
343c343
<        -0.288597E+1        0.375577        0.157242E+1
>        -0.331564E+1        0.370150        0.174360E+1
344c344
<        -0.360167E-1       -0.172918E-1        0.204482
>        -0.314057E-1       -0.174873E-1        0.171912
345c345
<        -0.247533E-1        0.139896       -0.196090E-1
>        -0.585806E-2        0.158185       -0.267794E-1
346c346
<         0.149160        0.354788       -0.385803E-1
>         0.102386        0.357921       -0.464907E-1
347c347
<         0.929092E-1       -0.356123E-2       -0.209404
>         0.772235E-1       -0.275840E-1       -0.200371
348c348
<         0.142791        0.109866       -0.992118E-1
>         0.193459        0.136075       -0.140494
349c349
<         0.114612E-2        0.208583E-3       -0.326880E-2
>         0.446173E-2        0.114661E-2       -0.131133E-1
350c350
<        -0.147242E+1        0.855270        0.152723E+1
>        -0.155320E+1        0.837806        0.151020E+1
351c351
<        -0.668840E-1        0.489564       -0.334981
>        -0.778899E-1        0.543694       -0.394753
352c352
<        -0.752268E+1        0.493293E+1       -0.148911E+1
>        -0.815128E+1        0.559702E+1       -0.195678E+1
353c353
<         0.487384E+1        0.473907E+1       -0.629709E+1
>         0.475540E+1        0.454955E+1       -0.741477E+1
354c354
<         0.258432E-1        0.786408E-1       -0.387888
>         0.435947E-1        0.880134E-1       -0.449599
355c355
<        -0.131002        0.215307E-1        0.225208
>        -0.145189       -0.597002E-2        0.190322
356c356
<         0.929530E-1       -0.204245        0.198562
>         0.888991E-1       -0.191990        0.161392
357c357
<        -0.185942        0.109388        0.835555E-1
>        -0.207370        0.147801        0.157493
358c358
<        -0.233808       -0.691035E-3        0.183319
>        -0.234225       -0.513974E-2        0.198886
359c359
<        -0.543902       -0.176038        0.476118
>        -0.611165       -0.331382        0.621802
360c360
<         0.207439       -0.133382E+1        0.135729E+1
>         0.466243E-1       -0.133807E+1        0.132615E+1
361c361
<        -0.166449E-1       -0.905206E-1        0.275696E-1
>        -0.146223E-1       -0.103614        0.340169E-1
362c362
<        -0.454040E-2       -0.301558        0.543143E-1
>        -0.324099E-2       -0.255089        0.500026E-1
363c363
<        -0.346320E-2        0.964504E-2       -0.249355E-1
>        -0.378325E-2        0.104724E-1       -0.271370E-1
364c364
<        -0.386585E-2        0.272998       -0.336160
>         0.832853E-2        0.342960       -0.381078
365c365
<         0.568761E-1        0.894441       -0.477046
>         0.359320E-1        0.870624       -0.452286
366c366
<         0.285488E+1        0.240572E+1       -0.985281
>         0.308486E+1        0.264907E+1       -0.106782E+1
367c367
<         0.381130E-1        0.941666E-1       -0.185610
>         0.364423E-1        0.101666       -0.198405
368c368
<         0.274676E-1       -0.231429E-1       -0.141809E-1
>         0.283079E-1       -0.318921E-1       -0.110861E-1
369c369
<         0.426711       -0.412486E-1       -0.365090
>         0.428803       -0.575095E-1       -0.430297
370c370
<         0.103329E-1       -0.892883E-1        0.150598
>         0.135451E-2       -0.608050E-1        0.920308E-1
371c371
<         0.153875E+1        0.343032E+1        0.328178
>         0.194560E+1        0.307101E+1        0.512923
372c372
<         0.609047       -0.506531        0.231030
>         0.557902       -0.354062        0.128162
373c373
<        -0.778896E-1       -0.437514        0.315422
>        -0.774970E-1       -0.371108        0.335254
374c374
<        -0.152822       -0.534038        0.891699E-2
>        -0.121316       -0.521539       -0.487057E-1
375c375
<        -0.245689E+1       -0.119992E+1        0.140065E+1
>        -0.274547E+1       -0.117156E+1        0.156239E+1
376c376
<        -0.276407E-1       -0.917012E-2        0.423034E-1
>        -0.322313E-1       -0.110141E-1        0.487619E-1
377c377
<        -0.128290        0.918449E-1        0.226766E-1
>        -0.111775        0.953992E-1        0.270146E-1
378c378
<        -0.504781E-1        0.428707        0.515475E-2
>        -0.123882        0.441250       -0.721083E-1
379c379
<         0.496916E-1        0.617011E-1       -0.247302
>         0.437936E-1        0.598329E-1       -0.237647
380c380
<         0.969433E-1        0.201950       -0.840034E-1
>         0.902836E-1        0.188441       -0.115703
381c381
<         0.651269E-2        0.783808E-2       -0.326516E-1
>         0.556967E-2        0.670057E-2       -0.279117E-1
382c382
<        -0.185959E+1       -0.298028        0.160942E+1
>        -0.185834E+1       -0.339688        0.162945E+1
383c383
<        -0.302180        0.298607       -0.430526
>        -0.269016        0.267141       -0.294550
384c384
<        -0.872419E+1        0.295821       -0.142975E+1
>        -0.960342E+1        0.563261       -0.137349E+1
385c385
<         0.136001E+1        0.646105E+1       -0.661294E+1
>         0.153086E+1        0.644679E+1       -0.664926E+1
386c386
<        -0.397443E-1        0.780968E-1       -0.388301
>        -0.327218E-1        0.675423E-1       -0.342596
387c387
<        -0.117010       -0.430950E-1        0.207437
>        -0.107881       -0.589556E-1        0.184489
388c388
<         0.153988       -0.899795E-1        0.166890
>         0.147960       -0.740636E-1        0.163645
389c389
<        -0.219914       -0.183760E-1        0.103505
>        -0.254222       -0.329671E-2        0.108674
390c390
<        -0.195809       -0.128841        0.226537
>        -0.214699       -0.131109        0.200196
391c391
<        -0.347290       -0.449548        0.504844
>        -0.300636       -0.584136        0.828540
392c392
<         0.866415       -0.880060        0.117271E+1
>         0.809538       -0.105940E+1        0.104660E+1
393c393
<         0.587522E-1       -0.979009E-1        0.359875E-1
>         0.604441E-1       -0.102058        0.363169E-1
394c394
<         0.143366       -0.215292        0.614290E-1
>         0.153749       -0.238790        0.848847E-1
395c395
<        -0.116832E-1        0.107851E-1       -0.381865E-1
>        -0.127853E-1        0.117405E-1       -0.415211E-1
396c396
<        -0.186298        0.400066       -0.440772
>        -0.174847        0.361984       -0.396115
397c397
<        -0.512546        0.617376       -0.390838
>        -0.556952        0.915791       -0.509586
398c398
<         0.757768        0.364466E+1       -0.126800E+1
>         0.785761        0.369928E+1       -0.104003E+1
399c399
<        -0.305531E-1        0.906343E-1       -0.182518
>        -0.213094E-1        0.848521E-1       -0.162088
400c400
<         0.432148E-1       -0.739425E-2        0.254420E-2
>         0.422191E-1       -0.604939E-2       -0.554424E-2
401c401
<         0.408552        0.223762       -0.332034
>         0.370416        0.191527       -0.360877
402c402
<         0.309027E-1       -0.404285E-1        0.766786E-1
>         0.389527E-1       -0.592513E-1        0.971175E-1
403c403
<        -0.682841        0.373200E+1        0.343895
>        -0.595549        0.458073E+1        0.503424
404c404
<         0.638016       -0.484607E-1        0.121385
>         0.520232       -0.653215E-1        0.245040E-1
405c405
<         0.132164       -0.210881        0.219826
>         0.129440       -0.221160        0.220338
406c406
<         0.154839       -0.596271       -0.420671E-1
>         0.116697       -0.603613        0.742787E-2
407c407
<        -0.138383E+1       -0.275497E+1        0.133087E+1
>        -0.134141E+1       -0.266924E+1        0.148910E+1
408c408
<        -0.170682E-1       -0.260377E-1        0.445180E-1
>        -0.224447E-1       -0.327065E-1        0.574387E-1
409c409
<        -0.189240        0.243546E-1       -0.105570E-1
>        -0.166253        0.234786E-1       -0.517451E-2
410c410
<        -0.292479        0.261803       -0.318944E-1
>        -0.282174        0.310250       -0.296844E-1
411c411
<         0.273292E-1        0.576307E-1       -0.185642
>         0.111399E-1        0.634390E-1       -0.212002
412c412
<        -0.197885E-1        0.188886       -0.689448E-1
>        -0.562208E-1        0.185399       -0.920249E-1
413c413
<         0.568864E-3        0.686758E-2       -0.221167E-1
>         0.570645E-3        0.834535E-2       -0.271924E-1
414c414
<        -0.128228E+1       -0.121231E+1        0.157643E+1
>        -0.145525E+1       -0.135768E+1        0.184415E+1
415c415
<        -0.503463        0.585644E-1       -0.461343
>        -0.480750        0.943715E-1       -0.570360
416c416
<        -0.718261E+1       -0.529526E+1       -0.149787E+1
>        -0.891518E+1       -0.511248E+1       -0.157949E+1
417c417
<        -0.284115E+1        0.561384E+1       -0.657126E+1
>        -0.303459E+1        0.618401E+1       -0.622507E+1
418c418
<        -0.855960E-1        0.423876E-1       -0.414566
>        -0.665041E-1        0.276153E-1       -0.319464
419c419
<        -0.524051E-1       -0.121143        0.165103
>        -0.557879E-1       -0.138872        0.171707
420c420
<         0.308745        0.364210E-1        0.192112
>         0.310243        0.400973E-1        0.288054
421c421
<        -0.213446       -0.129628        0.968011E-1
>        -0.164461       -0.119293        0.803129E-1
422c422
<        -0.811967E-1       -0.250889        0.292103
>        -0.570167E-1       -0.198795        0.248449
423c423
<         0.969834E-2       -0.556035        0.491301
>         0.421546E-1       -0.667239        0.517186
424c424
<         0.124796E+1       -0.310594        0.104881E+1
>         0.121267E+1       -0.429988        0.110780E+1
425c425
<         0.508853E-1       -0.198848E-1        0.283817E-1
>         0.752908E-1       -0.340600E-1        0.317574E-1
426c426
<         0.385712       -0.132027        0.924702E-1
>         0.250780       -0.857933E-1        0.780021E-1
427c427
<        -0.102720E-1        0.306281E-3       -0.242515E-1
>        -0.111415E-1        0.131920E-3       -0.268813E-1
428c428
<        -0.260810        0.125664       -0.407992
>        -0.271454        0.136369       -0.371055
429c429
<        -0.847073        0.423742       -0.503844
>        -0.868071        0.365373       -0.535802
430c430
<        -0.144739E+1        0.361303E+1       -0.124648E+1
>        -0.153598E+1        0.414662E+1       -0.119336E+1
431c431
<        -0.663637E-1        0.387195E-1       -0.149274
>        -0.564426E-1        0.315167E-1       -0.134274
432c432
<         0.484790E-1        0.225256E-1       -0.397799E-2
>         0.646940E-1        0.307817E-1       -0.209101E-1
433c433
<         0.913565E-1        0.324732       -0.263699
>         0.113614        0.441417       -0.312509
434c434
<         0.687378E-1       -0.275108E-1        0.985000E-1
>         0.660450E-1       -0.196901E-1        0.103716
435c435
<        -0.271772E+1        0.269855E+1        0.150064
>        -0.290463E+1        0.257138E+1        0.186655
436c436
<         0.582367        0.377171        0.665381E-1
>         0.654826        0.446188        0.148606
437c437
<         0.269083       -0.152407        0.239897
>         0.265843       -0.147284        0.227019
438c438
<         0.428723       -0.332210        0.477337E-1
>         0.457833       -0.319895        0.733393E-1
439c439
<         0.342755       -0.285166E+1        0.147265E+1
>         0.515891       -0.303121E+1        0.158216E+1
440c440
<         0.450503E-2       -0.442543E-1        0.638889E-1
>         0.192275E-2       -0.387830E-1        0.586942E-1
441c441
<        -0.114821       -0.373968E-1        0.443998E-2
>        -0.124960       -0.489758E-1       -0.782008E-2
442c442
<        -0.447039        0.659584E-1       -0.441562E-1
>        -0.408036        0.804147E-1       -0.557794E-1
443c443
<         0.200646E-1        0.903248E-1       -0.264601
>         0.338570E-1        0.724651E-1       -0.280212
444c444
<        -0.134584        0.908902E-1       -0.131483
>        -0.174710        0.108328       -0.119816
445c445
<        -0.116901E-2        0.252676E-2       -0.777553E-2
>        -0.104910E-2        0.210155E-2       -0.681028E-2
446c446
<        -0.307728       -0.176346E+1        0.159897E+1
>        -0.323942       -0.211510E+1        0.190639E+1
447c447
<        -0.398296       -0.192921       -0.253892
>        -0.253838       -0.168242       -0.247095
448c448
<        -0.268490E+1       -0.836042E+1       -0.193398E+1
>        -0.419069E+1       -0.982878E+1       -0.231543E+1
449c449
<        -0.574541E+1        0.324476E+1       -0.647893E+1
>        -0.670910E+1        0.368769E+1       -0.603356E+1
450c450
<        -0.989626E-1       -0.192302E-1       -0.409516
>        -0.836453E-1       -0.330710E-1       -0.359984
451c451
<         0.222377E-1       -0.124621        0.194604
>         0.235062E-2       -0.152267        0.193698
452c452
<         0.146153        0.152559        0.219472
>         0.145641        0.163579        0.185478
453c453
<        -0.569532E-1       -0.251620        0.872920E-1
>        -0.537684E-1       -0.224478        0.895499E-1
454c454
<         0.907416E-1       -0.229046        0.220285
>         0.764522E-1       -0.216653        0.203931
455c455
<         0.324011       -0.429241        0.450710
>         0.415558       -0.490819        0.514484
456c456
<         0.131769E+1        0.451652        0.124966E+1
>         0.155972E+1        0.522121        0.143498E+1
457c457
<         0.281819       -0.684687E-1       -0.235794
>         0.262277       -0.332560E-1       -0.220110
458c458
<         0.922712       -0.220106       -0.663825
>         0.940824       -0.247915       -0.834543
459c459
<         0.915389E-3       -0.305573E-2       -0.529864E-1
>         0.360649E-3       -0.297928E-2       -0.311271E-1
460c460
<        -0.302097       -0.660562E-1       -0.238542
>        -0.355065       -0.600544E-1       -0.255546
461c461
<        -0.113670E+1       -0.162873       -0.518703
>        -0.103783E+1       -0.273180       -0.652938
462c462
<        -0.328934E+1        0.201056E+1       -0.122722E+1
>        -0.347669E+1        0.176926E+1       -0.127956E+1
463c463
<        -0.652841E-1       -0.180779E-1       -0.292194
>        -0.449270E-1       -0.130286E-1       -0.235396
464c464
<         0.164730E-1        0.329517E-1       -0.139399
>         0.181537E-1        0.259840E-1       -0.207031
465c465
<        -0.130298        0.328874       -0.327012
>        -0.110415        0.438994       -0.422849
466c466
<         0.779885E-1        0.196440E-1        0.108732
>         0.139528        0.380562E-1        0.201530
467c467
<        -0.393205E+1        0.560494        0.347727
>        -0.435382E+1        0.615404       -0.544520E-1
468c468
<         0.269305        0.757771       -0.530387
>         0.230288        0.711895       -0.939597
469c469
<         0.480831        0.388773E-1       -0.241101E-2
>         0.401794        0.364159E-1       -0.730737E-1
470c470
<         0.528106        0.561959E-1       -0.418096E-1
>         0.568580        0.779681E-1        0.323268E-2
471c471
<         0.217178E+1       -0.259520E+1       -0.265344E-1
>         0.234505E+1       -0.292268E+1       -0.169082
472c472
<        -0.143300E-2       -0.571335E-1       -0.170630
>         0.155563E-2       -0.488730E-1       -0.163046
473c473
<        -0.427665E-1       -0.307492        0.185610E-2
>        -0.419035E-1       -0.206049        0.405543E-2
474c474
<        -0.371214       -0.143223       -0.564021E-2
>        -0.414180       -0.144109       -0.113240E-2
475c475
<        -0.534436E-1       -0.150554E-1       -0.143943
>        -0.210023E-1       -0.269786E-3       -0.139092
476c476
<        -0.196465        0.487600E-1       -0.100462
>        -0.270407        0.580939E-1       -0.907609E-1
477c477
<         0.258446       -0.323223E-1       -0.305776
>         0.284739       -0.681011E-1       -0.368810
478c478
<         0.367793E+1       -0.353155E+1        0.284145E+1
>         0.369839E+1       -0.430996E+1        0.313417E+1
479c479
<         0.190750E+1       -0.199106E+1       -0.661841E+1
>         0.122159E+1       -0.170494E+1       -0.708364E+1
480c480
<        -0.143380E+1        0.703072E+1       -0.109539E+1
>        -0.156742E+1        0.712464E+1       -0.232639E+1
481c481
<        -0.101702E+1        0.915494        0.813422
>        -0.130422E+1        0.112688E+1        0.838081
482c482
<        -0.203988        0.168780       -0.192193
>        -0.264611        0.169870       -0.212449
483c483
<        -0.373819E-1       -0.653521E-1       -0.131078
>        -0.440942E-1       -0.850290E-1       -0.173641
484c484
<         0.182049        0.953258E-1       -0.128489
>         0.251586        0.123327       -0.154043
485c485
<         0.239922       -0.971828E-2       -0.235991
>         0.230755       -0.311001E-1       -0.192787
486c486
<         0.531621       -0.101722       -0.465028
>         0.556099       -0.254169       -0.492347
487c487
<        -0.341309       -0.111513E+1       -0.118815E+1
>        -0.258175       -0.118416E+1       -0.118367E+1
488c488
<         0.121979E-1       -0.576028E-1       -0.172310E-1
>         0.610492E-2       -0.280513E-1       -0.907035E-2
490c490
<        -0.441745E-2       -0.428395E-2       -0.328798E-1
>        -0.459323E-2       -0.553490E-2       -0.324146E-1
491c491
<         0.692547E-1        0.220576       -0.760548E-1
>         0.739428E-1        0.176491       -0.118427
492c492
<        -0.787519E-1        0.850962        0.284323
>        -0.250712E-1        0.998029        0.371867
493c493
<        -0.561307E-2       -0.864401E-2        0.331381E-1
>        -0.917752E-2       -0.609256E-2        0.345270E-1
494c494
<         0.103657E-1        0.122359E-1       -0.618512E-2
>        -0.411839E-2        0.582620E-2       -0.810749E-2
495c495
<         0.203591E-1        0.740928E-1        0.737037E-1
>         0.177613E-1        0.650414E-1        0.746317E-1
496c496
<        -0.630219E-1       -0.298814E-2        0.174508E-1
>        -0.549064E-1       -0.692946E-2        0.240938E-1
497c497
<         0.150922E-1        0.515416E-1       -0.854989E-1
>         0.227932E-1        0.569418E-1       -0.127181
498c498
<        -0.220709E-1        0.220136E-1       -0.104211
>        -0.104703E-1        0.145375E-1       -0.149175
499c499
<        -0.243469E+1        0.714222       -0.828926E-1
>        -0.255400E+1        0.646296       -0.186866
500c500
<        -0.246739       -0.412018       -0.443338E-1
>        -0.244441       -0.459725       -0.324272E-1
501c501
<         0.751474E-1       -0.791613E-1        0.104009
>         0.602170E-1       -0.638710E-1        0.883166E-1
502c502
<        -0.107343E-1        0.369832E-2       -0.217682
>        -0.580840E-2       -0.100049E-2       -0.246975
503c503
<         0.127851E+1       -0.361009E+1       -0.163692E+1
>         0.139676E+1       -0.367936E+1       -0.154375E+1
504c504
<         0.869692E-1        0.108293       -0.199867E-1
>         0.825435E-1        0.730505E-1       -0.116826E-1
505c505
<         0.811722E-1        0.336440        0.774333E-1
>         0.437566E-1        0.308388        0.101613
506c506
<         0.902422E-2        0.341283E-1        0.359936E-1
>         0.151331E-1        0.503764E-1        0.502169E-1
507c507
<        -0.172617E-1        0.253058        0.114345
>        -0.384167E-1        0.238568        0.843913E-1
509c509
<         0.179362E+1       -0.252294       -0.163119E+1
>         0.185874E+1       -0.234322       -0.165659E+1
510c510
<         0.248208        0.270452        0.312178
>         0.216125        0.233082        0.418818
511c511
<         0.874341E+1        0.258586        0.201527E+1
>         0.100170E+2        0.498358        0.206730E+1
512c512
<        -0.819411        0.684297E+1        0.650706E+1
>        -0.142730E+1        0.688878E+1        0.781213E+1
513c513
<         0.523425E-1        0.478481E-1        0.285327
>         0.612042E-1        0.147834E-1        0.193779
514c514
<         0.941309E-1       -0.812350E-1       -0.196714
>         0.593640E-1       -0.652559E-1       -0.211228
515c515
<        -0.199730       -0.101030       -0.260546
>        -0.190894       -0.109048       -0.236149
516c516
<         0.229232       -0.988898E-2       -0.103900
>         0.245496       -0.663057E-1       -0.981089E-1
517c517
<         0.193719       -0.135411       -0.208213
>         0.234105       -0.120057       -0.212839
518c518
<         0.353569       -0.417752       -0.543785
>         0.438633       -0.699604       -0.632098
519c519
<        -0.781019       -0.101899E+1       -0.110257E+1
>        -0.811093       -0.130489E+1       -0.125517E+1
520c520
<        -0.282895E-1       -0.661546E-1       -0.226139E-1
>        -0.244467E-1       -0.582154E-1       -0.196192E-1
523c523
<         0.115909        0.106459        0.106200
>         0.120679        0.109896        0.109255
524c524
<         0.433130        0.571424        0.490399
>         0.442400        0.650661        0.473036
525c525
<        -0.577090E-2        0.637038E-2        0.532122E-1
>         0.283656E-2        0.212860E-2        0.333238E-1
526c526
<         0.237011        0.744356E-1        0.198541E-1
>         0.209922        0.662526E-1        0.140539E-1
527c527
<         0.811299E-1        0.520488E-1        0.831208E-1
>         0.110269        0.666678E-1        0.824463E-1
528c528
<        -0.882697E-1        0.351670E-1        0.579612E-3
>        -0.107762        0.632283E-1        0.285944E-2
529c529
<        -0.328841E-2        0.144009E-1       -0.612067E-2
>        -0.399377E-2        0.167539E-1       -0.722664E-2
530c530
<        -0.402030E-2        0.333127E-1        0.756215E-1
>        -0.318471E-2        0.126877E-1        0.319655E-1
531c531
<        -0.132748E+1        0.201859E+1        0.837895
>        -0.132761E+1        0.207431E+1        0.994776
532c532
<        -0.440723       -0.232897        0.480541E-2
>        -0.518498       -0.258752        0.402304E-1
533c533
<         0.100074E-1       -0.647891E-1        0.685500E-1
>         0.381436E-2       -0.275132E-1        0.305488E-1
534c534
<        -0.688447E-2       -0.531609E-1       -0.157567
>        -0.116856E-2       -0.529261E-1       -0.176710
535c535
<        -0.695815       -0.309041E+1       -0.131508E+1
>        -0.657460       -0.311261E+1       -0.139601E+1
536c536
<         0.193864        0.163744E-1       -0.930427E-3
>         0.164704        0.303347E-1       -0.794260E-2
537c537
<         0.272938        0.277989        0.328833E-1
>         0.256781        0.236275        0.337462E-1
538c538
<         0.418870E-1        0.416401E-1        0.581733E-1
>         0.431079E-1        0.411228E-1        0.524122E-1
539c539
<         0.276164E-1        0.224488        0.822484E-1
>         0.502491E-1        0.207653        0.888704E-1
541c541
<         0.127484E+1       -0.120853E+1       -0.152164E+1
>         0.120459E+1       -0.121871E+1       -0.139137E+1
542c542
<         0.403528        0.488327E-1        0.285460
>         0.415012        0.295898E-1        0.236075
543c543
<         0.716089E+1       -0.531891E+1        0.121278E+1
>         0.868085E+1       -0.579386E+1        0.175148E+1
544c544
<         0.327204E+1        0.550369E+1        0.647713E+1
>         0.416419E+1        0.689873E+1        0.783841E+1
545c545
<         0.623776E-1        0.206794E-1        0.283822
>         0.831056E-1        0.360130E-1        0.375986
546c546
<         0.787584E-1       -0.139832       -0.238131
>         0.381884E-1       -0.129628       -0.212110
547c547
<        -0.186596        0.113304E-1       -0.237678
>        -0.174661       -0.125986E-1       -0.210221
548c548
<         0.179816       -0.131629       -0.947929E-1
>         0.212536       -0.187389       -0.124910
549c549
<         0.690894E-1       -0.205427       -0.228793
>         0.543854E-1       -0.210811       -0.248856
550c550
<         0.949384E-2       -0.573776       -0.421940
>         0.168277E-2       -0.609215       -0.440584
551c551
<        -0.122325E+1       -0.366518       -0.972855
>        -0.121357E+1       -0.415819       -0.110872E+1
552c552
<        -0.593613E-1       -0.392457E-1       -0.226314E-1
>        -0.467846E-1       -0.295840E-1       -0.157422E-1
555c555
<         0.176560        0.175559E-1        0.117092
>         0.137968        0.813274E-2        0.982672E-1
556c556
<         0.637981        0.182118        0.413449
>         0.515358        0.161823        0.358253
557c557
<        -0.762354E-3        0.615504E-2        0.458254E-1
>         0.368983E-3        0.427022E-2        0.342647E-1
558c558
<         0.203474       -0.549094E-1        0.185577E-1
>         0.160074       -0.434938E-1        0.160554E-1
559c559
<         0.809909E-1       -0.105440E-1        0.802420E-1
>         0.699229E-1       -0.619374E-3        0.743948E-1
560c560
<        -0.295310E-1        0.804167E-1        0.342840E-2
>        -0.120706E-1        0.735495E-1        0.955883E-2
561c561
<         0.179239E-1        0.384541E-1       -0.173130E-1
>         0.101501E-1        0.226799E-1       -0.115413E-1
562c562
<         0.458682E-2        0.132262E-1        0.317356E-1
>         0.587001E-2        0.167216E-1        0.301130E-1
563c563
<         0.328433E-3        0.235548E+1        0.739896
>        -0.353917E-1        0.291803E+1        0.102565E+1
564c564
<        -0.435433        0.632424E-1       -0.117185
>        -0.433797        0.608239E-1       -0.149148
565c565
<        -0.338781E-1       -0.593565E-1        0.740046E-1
>        -0.286761E-1       -0.508420E-1        0.613975E-1
566c566
<        -0.256895E-1       -0.285993E-1       -0.116441
>        -0.321843E-1       -0.232004E-1       -0.120575
567c567
<        -0.261769E+1       -0.226695E+1       -0.144940E+1
>        -0.253351E+1       -0.262345E+1       -0.171752E+1
568c568
<         0.981085E-1       -0.518528E-1       -0.619719E-2
>         0.117959       -0.691476E-1       -0.536551E-2
569c569
<         0.440144        0.689448E-1        0.471358E-2
>         0.480671        0.644349E-1        0.279576E-1
570c570
<         0.801073E-1       -0.614756E-2        0.552571E-1
>         0.748199E-1       -0.138140E-2        0.503386E-1
571c571
<         0.189414        0.974737E-1        0.146975
>         0.174003        0.109381        0.112566
573c573
<         0.439260       -0.191704E+1       -0.155037E+1
>         0.349764       -0.184491E+1       -0.162352E+1
574c574
<         0.372439       -0.236621        0.349196
>         0.274333       -0.219108        0.168630
575c575
<         0.297413E+1       -0.823406E+1        0.152115E+1
>         0.300689E+1       -0.992324E+1        0.209384E+1
576c576
<         0.612373E+1        0.262362E+1        0.638613E+1
>         0.742326E+1        0.313602E+1        0.758087E+1
577c577
<         0.674072E-1       -0.341471E-1        0.290888
>         0.696409E-1       -0.420237E-1        0.291616
578c578
<        -0.279015E-1       -0.144547       -0.226945
>        -0.482443E-1       -0.106288       -0.208916
579c579
<        -0.167636        0.146899       -0.230451
>        -0.158053        0.142853       -0.219578
580c580
<         0.568365E-1       -0.254777       -0.963973E-1
>         0.651843E-1       -0.266925       -0.127545
581c581
<        -0.485698E-1       -0.237868       -0.188431
>        -0.447612E-1       -0.232485       -0.207351
582c582
<        -0.331036       -0.458257       -0.487341
>        -0.354762       -0.453494       -0.614120
583c583
<        -0.118682E+1        0.301322       -0.103425E+1
>        -0.132031E+1        0.290861       -0.904307
584c584
<        -0.112727        0.840717E-2       -0.288283E-1
>        -0.929666E-1        0.609727E-2       -0.249926E-1
587c587
<         0.141543       -0.840887E-1        0.113318
>         0.109516       -0.764857E-1        0.103901
588c588
<         0.675110       -0.228513        0.466540
>         0.711740       -0.381980        0.561945
589c589
<         0.404056E-2        0.988862E-2        0.533280E-1
>         0.351307E-2        0.600399E-2        0.452062E-1
590c590
<         0.138530       -0.210887        0.224366E-1
>         0.127597       -0.155919        0.184368E-1
591c591
<         0.628599E-1       -0.571393E-1        0.671694E-1
>         0.713473E-1       -0.824326E-1        0.101257
592c592
<         0.128239E-1        0.118200        0.526303E-2
>         0.205664E-1        0.146825       -0.965095E-2
593c593
<         0.195340E-1        0.101649E-1       -0.101834E-1
>         0.213104E-1        0.119923E-1       -0.115069E-1
594c594
<         0.826589E-2        0.152335E-1        0.482867E-1
>         0.137703E-1        0.176469E-1        0.593427E-1
595c595
<         0.142643E+1        0.186838E+1        0.637998
>         0.158786E+1        0.203267E+1        0.631501
596c596
<        -0.393526        0.416363        0.708811E-1
>        -0.227296        0.332608        0.637074E-1
597c597
<        -0.109365       -0.528965E-1        0.124660
>        -0.108279       -0.522462E-1        0.124195
598c598
<        -0.343494E-1        0.476720E-3       -0.106023
>        -0.293565E-1        0.868449E-2       -0.733728E-1
599c599
<        -0.363398E+1       -0.465429       -0.124209E+1
>        -0.364036E+1       -0.410337       -0.143364E+1
600c600
<         0.882264E-1       -0.142667        0.275074E-1
>         0.614364E-1       -0.109543        0.100704E-1
601c601
<         0.352123       -0.186243       -0.215495E-1
>         0.410658       -0.161428        0.613850E-1
602c602
<         0.110919       -0.920679E-1        0.731495E-1
>         0.508154E-1       -0.318029E-1        0.361596E-1
603c603
<         0.275197       -0.625892E-1        0.193074
>         0.260497       -0.185384E-1        0.150875
605c605
<        -0.715072       -0.164600E+1       -0.155124E+1
>        -0.657413       -0.182388E+1       -0.168856E+1
606c606
<         0.124805       -0.374635        0.372333
>         0.652338E-1       -0.315391        0.363620
607c607
<        -0.287398E+1       -0.831907E+1        0.149637E+1
>        -0.381048E+1       -0.930324E+1        0.121732E+1
608c608
<         0.669918E+1       -0.115373E+1        0.633300E+1
>         0.646498E+1       -0.136379E+1        0.661997E+1
609c609
<         0.252024E-1       -0.765344E-1        0.279600
>         0.320529E-1       -0.753368E-1        0.296584
610c610
<        -0.117749       -0.953476E-1       -0.186853
>        -0.126107       -0.996827E-1       -0.184372
611c611
<        -0.470734E-1        0.262072       -0.229545
>        -0.423130E-1        0.263181       -0.260486
612c612
<        -0.730563E-1       -0.186267       -0.104082
>        -0.704675E-1       -0.181663       -0.106148
613c613
<        -0.220103       -0.135831       -0.185131
>        -0.204333       -0.109088       -0.153758
614c614
<        -0.453268       -0.106525       -0.583723
>        -0.445504       -0.200181       -0.667566
615c615
<        -0.830112        0.105506E+1       -0.115341E+1
>        -0.863629        0.115255E+1       -0.110101E+1
616c616
<        -0.291560        0.132665        0.305629
>        -0.239309        0.111278        0.295863
617c617
<        -0.889315        0.241814        0.702130
>        -0.783998        0.192689        0.577052
618c618
<        -0.469138E-2        0.127424E-2        0.800839E-1
>        -0.457072E-2        0.377180E-3        0.770794E-1
619c619
<         0.857139E-1       -0.164731        0.118535
>         0.633918E-1       -0.146365        0.116250
620c620
<         0.347510       -0.519068        0.412677
>         0.302307       -0.490372        0.406417
621c621
<        -0.859447E-2        0.841881E-2        0.484014E-1
>        -0.414164E-2        0.795121E-2        0.443178E-1
622c622
<         0.226949E-1       -0.276659        0.434519E-2
>         0.157550E-1       -0.244435        0.483480E-2
623c623
<         0.196048E-1       -0.898166E-1        0.696488E-1
>         0.118156E-1       -0.101787        0.833643E-1
624c624
<         0.690197E-1        0.811564E-1       -0.374807E-2
>         0.697770E-1        0.832521E-1       -0.101541E-2
625c625
<         0.224857E-1       -0.195711E-2       -0.104865E-1
>         0.224864E-1       -0.172566E-2       -0.106960E-1
626c626
<        -0.131521E-1       -0.137800E-1        0.142785
>        -0.188441E-1       -0.286321E-1        0.215849
627c627
<         0.232829E+1        0.610579        0.698820
>         0.213728E+1        0.613563        0.690746
628c628
<        -0.103592        0.498926       -0.621604E-1
>        -0.983020E-1        0.524137        0.607380E-1
629c629
<        -0.840497E-1        0.246528E-1        0.132411
>        -0.931119E-1        0.344808E-1        0.190561
630c630
<        -0.123969E-1       -0.334231E-1        0.173943
>        -0.660248E-2       -0.649129E-1        0.264691
631c631
<        -0.390810E+1        0.171572E+1        0.116780
>        -0.387407E+1        0.170823E+1        0.374030
632c632
<        -0.801700E-1       -0.208353        0.340744E-1
>        -0.996676E-1       -0.240316        0.299858E-1
633c633
<         0.171531       -0.297610       -0.417449E-2
>         0.164829       -0.416308        0.350205E-1
634c634
<         0.195986E-1       -0.127039E-1        0.128795
>         0.829300E-2       -0.218499E-1        0.137698
635c635
<         0.200143       -0.101904        0.773286E-1
>         0.260532       -0.143977        0.751966E-1
636c636
<        -0.199167        0.155331        0.300108
>        -0.275502        0.157225        0.327333
637c637
<        -0.473782E+1       -0.585011       -0.259334E+1
>        -0.516473E+1       -0.951874       -0.259610E+1
638c638
<        -0.247481E+1       -0.528352        0.703797E+1
>        -0.246734E+1       -0.572784        0.932825E+1
### Maximum absolute error in matching lines = 1.73e+00 at line 97 field 1
### Maximum relative error in matching lines = 1.09e+02 at line 244 field 1
---------------------------------------
possible FAILURE:  check mdout.pbsa_decres.dif
/home/drpunit/amber12/test/sander_pbsa_decres
33c33
<  NATOM  =    1241 NTYPES =      14 NBONH =     633 MBONA  =     617
> PB Warning in pb_read(): radiopt=1 should be set to 0 when inp = 1
34c34
<  NTHETH =    1437 MTHETA =     830 NPHIH =    2560 MPHIA  =    1442
>  NATOM  =    1241 NTYPES =      14 NBONH =     633 MBONA  =     617
35c35
<  NHPARM =       0 NPARM  =       0 NNB   =    6843 NRES   =      76
>  NTHETH =    1437 MTHETA =     830 NPHIH =    2560 MPHIA  =    1442
36c36
<  NBONA  =     617 NTHETA =     830 NPHIA =    1442 NUMBND =      42
>  NHPARM =       0 NPARM  =       0 NNB   =    6843 NRES   =      76
37c37
<  NUMANG =      92 NPTRA  =      33 NATYP =      29 NPHB   =       0
>  NBONA  =     617 NTHETA =     830 NPHIA =    1442 NUMBND =      42
38c38
<  IFBOX  =       0 NMXRS  =      24 IFCAP =       0 NEXTRA =       0
>  NUMANG =      92 NPTRA  =      33 NATYP =      29 NPHB   =       0
39c39
<  NCOPY  =       0
>  IFBOX  =       0 NMXRS  =      24 IFCAP =       0 NEXTRA =       0
40c40
< --------------------------------------------------------------------------------
>  NCOPY  =       0
41c41
<    2.  CONTROL  DATA  FOR  THE  RUN
> --------------------------------------------------------------------------------
42c42
< --------------------------------------------------------------------------------
>    2.  CONTROL  DATA  FOR  THE  RUN
43c43
< General flags:
> --------------------------------------------------------------------------------
44c44
<      imin    =       1, nmropt  =       0
> General flags:
45c45
< Nature and format of input:
>      imin    =       1, nmropt  =       0
46c46
<      ntx     =       1, irest   =       0, ntrx    =       1
> Nature and format of input:
47c47
< Nature and format of output:
>      ntx     =       1, irest   =       0, ntrx    =       1
48c48
<      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
> Nature and format of output:
49c49
<      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
>      ntxo    =       1, ntpr    =      50, ntrx    =       1, ntwr    =     500
50c50
<      ioutfm  =       0, ntwprt  =       0, idecomp =       2, rbornstat=      0
>      iwrap   =       0, ntwx    =       0, ntwv    =       0, ntwe    =       0
51c51
< Potential function:
>      ioutfm  =       0, ntwprt  =       0, idecomp =       2, rbornstat=      0
52c52
<      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =   99999
> Potential function:
53c53
<      ipol    =       0, gbsa    =       0, iesp    =       0
>      ntf     =       1, ntb     =       0, igb     =      10, nsnb    =   99999
54c54
<      dielc   =   1.00000, cut     = 999.00000, intdiel =   1.00000
>      ipol    =       0, gbsa    =       0, iesp    =       0
55c55
< Frozen or restrained atoms:
>      dielc   =   1.00000, cut     = 999.00000, intdiel =   1.00000
56c56
<      ibelly  =       0, ntr     =       0
> Frozen or restrained atoms:
57c57
< Energy minimization:
>      ibelly  =       0, ntr     =       0
58c58
<      maxcyc  =       0, ncyc    =      10, ntmin   =       2
> Energy minimization:
59c59
<      dx0     =   0.01000, drms    =   0.00010
>      maxcyc  =       0, ncyc    =      10, ntmin   =       2
60c60
<     LOADING THE DECOMP ATOMS AS GROUPS
>      dx0     =   0.01000, drms    =   0.00010
61c61
<     ----- READING GROUP     1; TITLE:
>     LOADING THE DECOMP ATOMS AS GROUPS
62c62
<  Residues considured as RES
>     ----- READING GROUP     1; TITLE:
63c63
<       Number of atoms in this group  =     0
>  Residues considured as RES
64c64
<     ----- READING GROUP     2; TITLE:
>       Number of atoms in this group  =     0
65c65
<  Residues to print
>     ----- READING GROUP     2; TITLE:
66c66
<  GRP    2 RES    1 TO    76
>  Residues to print
67c67
<       Number of atoms in this group  =  1241
>  GRP    2 RES    1 TO    76
68c68
<     ----- END OF GROUP READ -----
>       Number of atoms in this group  =  1241
69c69
< Atom     1 (    1) :    77    2
>     ----- END OF GROUP READ -----
70c70
< Atom     2 (    1) :    77    2
> Atom     1 (    1) :    77    2
71c71
< Atom     3 (    1) :    77    2
> Atom     2 (    1) :    77    2
72c72
< Atom     4 (    1) :    77    2
> Atom     3 (    1) :    77    2
73c73
< Atom     5 (    1) :    77    2
> Atom     4 (    1) :    77    2
74c74
< Atom     6 (    1) :    77    2
> Atom     5 (    1) :    77    2
75c75
< Atom     7 (    1) :     1    2
> Atom     6 (    1) :    77    2
76c76
< Atom     8 (    1) :     1    2
> Atom     7 (    1) :     1    2
77c77
< Atom     9 (    1) :     1    2
> Atom     8 (    1) :     1    2
78c78
< Atom    10 (    1) :     1    2
> Atom     9 (    1) :     1    2
79c79
< Atom    11 (    1) :     1    2
> Atom    10 (    1) :     1    2
80c80
< Atom    12 (    1) :     1    2
> Atom    11 (    1) :     1    2
81c81
< Atom    13 (    1) :     1    2
> Atom    12 (    1) :     1    2
82c82
< Atom    14 (    1) :     1    2
> Atom    13 (    1) :     1    2
83c83
< Atom    15 (    1) :    77    2
> Atom    14 (    1) :     1    2
84c84
< Atom    16 (    1) :    77    2
> Atom    15 (    1) :    77    2
85c85
< Atom    17 (    2) :    78    2
> Atom    16 (    1) :    77    2
86c86
< Atom    18 (    2) :    78    2
> Atom    17 (    2) :    78    2
87c87
< Atom    19 (    2) :    78    2
> Atom    18 (    2) :    78    2
88c88
< Atom    20 (    2) :    78    2
> Atom    19 (    2) :    78    2
89c89
< Atom    21 (    2) :     2    2
> Atom    20 (    2) :    78    2
90c90
< Atom    22 (    2) :     2    2
> Atom    21 (    2) :     2    2
91c91
< Atom    23 (    2) :     2    2
> Atom    22 (    2) :     2    2
92c92
< Atom    24 (    2) :     2    2
> Atom    23 (    2) :     2    2
93c93
< Atom    25 (    2) :     2    2
> Atom    24 (    2) :     2    2
94c94
< Atom    26 (    2) :     2    2
> Atom    25 (    2) :     2    2
95c95
< Atom    27 (    2) :     2    2
> Atom    26 (    2) :     2    2
96c96
< Atom    28 (    2) :     2    2
> Atom    27 (    2) :     2    2
97c97
< Atom    29 (    2) :    78    2
> Atom    28 (    2) :     2    2
98c98
< Atom    30 (    2) :    78    2
> Atom    29 (    2) :    78    2
99c99
< Atom    31 (    3) :    79    2
> Atom    30 (    2) :    78    2
100c100
< Atom    32 (    3) :    79    2
> Atom    31 (    3) :    79    2
101c101
< Atom    33 (    3) :    79    2
> Atom    32 (    3) :    79    2
102c102
< Atom    34 (    3) :    79    2
> Atom    33 (    3) :    79    2
103c103
< Atom    35 (    3) :     3    2
> Atom    34 (    3) :    79    2
104c104
< Atom    36 (    3) :     3    2
> Atom    35 (    3) :     3    2
105c105
< Atom    37 (    3) :     3    2
> Atom    36 (    3) :     3    2
106c106
< Atom    38 (    3) :     3    2
> Atom    37 (    3) :     3    2
107c107
< Atom    39 (    3) :     3    2
> Atom    38 (    3) :     3    2
108c108
< Atom    40 (    3) :     3    2
> Atom    39 (    3) :     3    2
109c109
< Atom    41 (    3) :     3    2
> Atom    40 (    3) :     3    2
110c110
< Atom    42 (    3) :     3    2
> Atom    41 (    3) :     3    2
111c111
< Atom    43 (    3) :     3    2
> Atom    42 (    3) :     3    2
112c112
< Atom    44 (    3) :     3    2
> Atom    43 (    3) :     3    2
113c113
< Atom    45 (    3) :     3    2
> Atom    44 (    3) :     3    2
114c114
< Atom    46 (    3) :     3    2
> Atom    45 (    3) :     3    2
115c115
< Atom    47 (    3) :     3    2
> Atom    46 (    3) :     3    2
116c116
< Atom    48 (    3) :    79    2
> Atom    47 (    3) :     3    2
117c117
< Atom    49 (    3) :    79    2
> Atom    48 (    3) :    79    2
118c118
< Atom    50 (    4) :    80    2
> Atom    49 (    3) :    79    2
119c119
< Atom    51 (    4) :    80    2
> Atom    50 (    4) :    80    2
120c120
< Atom    52 (    4) :    80    2
> Atom    51 (    4) :    80    2
121c121
< Atom    53 (    4) :    80    2
> Atom    52 (    4) :    80    2
122c122
< Atom    54 (    4) :     4    2
> Atom    53 (    4) :    80    2
123c123
< Atom    55 (    4) :     4    2
> Atom    54 (    4) :     4    2
124c124
< Atom    56 (    4) :     4    2
> Atom    55 (    4) :     4    2
125c125
< Atom    57 (    4) :     4    2
> Atom    56 (    4) :     4    2
126c126
< Atom    58 (    4) :     4    2
> Atom    57 (    4) :     4    2
127c127
< Atom    59 (    4) :     4    2
> Atom    58 (    4) :     4    2
128c128
< Atom    60 (    4) :     4    2
> Atom    59 (    4) :     4    2
129c129
< Atom    61 (    4) :     4    2
> Atom    60 (    4) :     4    2
130c130
< Atom    62 (    4) :     4    2
> Atom    61 (    4) :     4    2
131c131
< Atom    63 (    4) :     4    2
> Atom    62 (    4) :     4    2
132c132
< Atom    64 (    4) :     4    2
> Atom    63 (    4) :     4    2
133c133
< Atom    65 (    4) :     4    2
> Atom    64 (    4) :     4    2
134c134
< Atom    66 (    4) :     4    2
> Atom    65 (    4) :     4    2
135c135
< Atom    67 (    4) :     4    2
> Atom    66 (    4) :     4    2
136c136
< Atom    68 (    4) :     4    2
> Atom    67 (    4) :     4    2
137c137
< Atom    69 (    4) :     4    2
> Atom    68 (    4) :     4    2
138c138
< Atom    70 (    4) :     4    2
> Atom    69 (    4) :     4    2
139c139
< Atom    71 (    4) :     4    2
> Atom    70 (    4) :     4    2
140c140
< Atom    72 (    4) :    80    2
> Atom    71 (    4) :     4    2
141c141
< Atom    73 (    4) :    80    2
> Atom    72 (    4) :    80    2
142c142
< Atom    74 (    5) :    81    2
> Atom    73 (    4) :    80    2
143c143
< Atom    75 (    5) :    81    2
> Atom    74 (    5) :    81    2
144c144
< Atom    76 (    5) :    81    2
> Atom    75 (    5) :    81    2
145c145
< Atom    77 (    5) :    81    2
> Atom    76 (    5) :    81    2
146c146
< Atom    78 (    5) :     5    2
> Atom    77 (    5) :    81    2
147c147
< Atom    79 (    5) :     5    2
> Atom    78 (    5) :     5    2
148c148
< Atom    80 (    5) :     5    2
> Atom    79 (    5) :     5    2
149c149
< Atom    81 (    5) :     5    2
> Atom    80 (    5) :     5    2
150c150
< Atom    82 (    5) :     5    2
> Atom    81 (    5) :     5    2
151c151
< Atom    83 (    5) :     5    2
> Atom    82 (    5) :     5    2
152c152
< Atom    84 (    5) :     5    2
> Atom    83 (    5) :     5    2
153c153
< Atom    85 (    5) :     5    2
> Atom    84 (    5) :     5    2
154c154
< Atom    86 (    5) :     5    2
> Atom    85 (    5) :     5    2
155c155
< Atom    87 (    5) :     5    2
> Atom    86 (    5) :     5    2
156c156
< Atom    88 (    5) :    81    2
> Atom    87 (    5) :     5    2
157c157
< Atom    89 (    5) :    81    2
> Atom    88 (    5) :    81    2
158c158
< Atom    90 (    6) :    82    2
> Atom    89 (    5) :    81    2
159c159
< Atom    91 (    6) :    82    2
> Atom    90 (    6) :    82    2
160c160
< Atom    92 (    6) :    82    2
> Atom    91 (    6) :    82    2
161c161
< Atom    93 (    6) :    82    2
> Atom    92 (    6) :    82    2
162c162
< Atom    94 (    6) :     6    2
> Atom    93 (    6) :    82    2
163c163
< Atom    95 (    6) :     6    2
> Atom    94 (    6) :     6    2
164c164
< Atom    96 (    6) :     6    2
> Atom    95 (    6) :     6    2
165c165
< Atom    97 (    6) :     6    2
> Atom    96 (    6) :     6    2
166c166
< Atom    98 (    6) :     6    2
> Atom    97 (    6) :     6    2
167c167
< Atom    99 (    6) :     6    2
> Atom    98 (    6) :     6    2
168c168
< Atom   100 (    6) :     6    2
> Atom    99 (    6) :     6    2
169c169
< Atom   101 (    6) :     6    2
> Atom   100 (    6) :     6    2
170c170
< Atom   102 (    6) :     6    2
> Atom   101 (    6) :     6    2
171c171
< Atom   103 (    6) :     6    2
> Atom   102 (    6) :     6    2
172c172
< Atom   104 (    6) :     6    2
> Atom   103 (    6) :     6    2
173c173
< Atom   105 (    6) :     6    2
> Atom   104 (    6) :     6    2
174c174
< Atom   106 (    6) :     6    2
> Atom   105 (    6) :     6    2
175c175
< Atom   107 (    6) :     6    2
> Atom   106 (    6) :     6    2
176c176
< Atom   108 (    6) :    82    2
> Atom   107 (    6) :     6    2
177c177
< Atom   109 (    6) :    82    2
> Atom   108 (    6) :    82    2
178c178
< Atom   110 (    7) :    83    2
> Atom   109 (    6) :    82    2
179c179
< Atom   111 (    7) :    83    2
> Atom   110 (    7) :    83    2
180c180
< Atom   112 (    7) :    83    2
> Atom   111 (    7) :    83    2
181c181
< Atom   113 (    7) :    83    2
> Atom   112 (    7) :    83    2
182c182
< Atom   114 (    7) :     7    2
> Atom   113 (    7) :    83    2
183c183
< Atom   115 (    7) :     7    2
> Atom   114 (    7) :     7    2
184c184
< Atom   116 (    7) :     7    2
> Atom   115 (    7) :     7    2
185c185
< Atom   117 (    7) :     7    2
> Atom   116 (    7) :     7    2
186c186
< Atom   118 (    7) :     7    2
> Atom   117 (    7) :     7    2
187c187
< Atom   119 (    7) :     7    2
> Atom   118 (    7) :     7    2
188c188
< Atom   120 (    7) :     7    2
> Atom   119 (    7) :     7    2
189c189
< Atom   121 (    7) :     7    2
> Atom   120 (    7) :     7    2
190c190
< Atom   122 (    7) :     7    2
> Atom   121 (    7) :     7    2
191c191
< Atom   123 (    7) :     7    2
> Atom   122 (    7) :     7    2
192c192
< Atom   124 (    7) :     7    2
> Atom   123 (    7) :     7    2
193c193
< Atom   125 (    7) :     7    2
> Atom   124 (    7) :     7    2
194c194
< Atom   126 (    7) :     7    2
> Atom   125 (    7) :     7    2
195c195
< Atom   127 (    7) :    83    2
> Atom   126 (    7) :     7    2
196c196
< Atom   128 (    7) :    83    2
> Atom   127 (    7) :    83    2
197c197
< Atom   129 (    8) :    84    2
> Atom   128 (    7) :    83    2
198c198
< Atom   130 (    8) :     8    2
> Atom   129 (    8) :    84    2
199c199
< Atom   131 (    8) :     8    2
> Atom   130 (    8) :     8    2
200c200
< Atom   132 (    8) :     8    2
> Atom   131 (    8) :     8    2
201c201
< Atom   133 (    8) :     8    2
> Atom   132 (    8) :     8    2
202c202
< Atom   134 (    8) :     8    2
> Atom   133 (    8) :     8    2
203c203
< Atom   135 (    8) :     8    2
> Atom   134 (    8) :     8    2
204c204
< Atom   136 (    8) :     8    2
> Atom   135 (    8) :     8    2
205c205
< Atom   137 (    8) :     8    2
> Atom   136 (    8) :     8    2
206c206
< Atom   138 (    8) :     8    2
> Atom   137 (    8) :     8    2
207c207
< Atom   139 (    8) :    84    2
> Atom   138 (    8) :     8    2
208c208
< Atom   140 (    8) :    84    2
> Atom   139 (    8) :    84    2
209c209
< Atom   141 (    8) :    84    2
> Atom   140 (    8) :    84    2
210c210
< Atom   142 (    8) :    84    2
> Atom   141 (    8) :    84    2
211c211
< Atom   143 (    9) :    85    2
> Atom   142 (    8) :    84    2
212c212
< Atom   144 (    9) :    85    2
> Atom   143 (    9) :    85    2
213c213
< Atom   145 (    9) :    85    2
> Atom   144 (    9) :    85    2
214c214
< Atom   146 (    9) :    85    2
> Atom   145 (    9) :    85    2
215c215
< Atom   147 (    9) :     9    2
> Atom   146 (    9) :    85    2
216c216
< Atom   148 (    9) :     9    2
> Atom   147 (    9) :     9    2
217c217
< Atom   149 (    9) :     9    2
> Atom   148 (    9) :     9    2
218c218
< Atom   150 (    9) :     9    2
> Atom   149 (    9) :     9    2
219c219
< Atom   151 (    9) :     9    2
> Atom   150 (    9) :     9    2
220c220
< Atom   152 (    9) :     9    2
> Atom   151 (    9) :     9    2
221c221
< Atom   153 (    9) :     9    2
> Atom   152 (    9) :     9    2
222c222
< Atom   154 (    9) :     9    2
> Atom   153 (    9) :     9    2
223c223
< Atom   155 (    9) :    85    2
> Atom   154 (    9) :     9    2
224c224
< Atom   156 (    9) :    85    2
> Atom   155 (    9) :    85    2
225c225
< Atom   157 (   10) :    86    2
> Atom   156 (    9) :    85    2
226c226
< Atom   158 (   10) :    86    2
> Atom   157 (   10) :    86    2
227c227
< Atom   159 (   10) :    86    2
> Atom   158 (   10) :    86    2
228c228
< Atom   160 (   10) :    86    2
> Atom   159 (   10) :    86    2
229c229
< Atom   161 (   10) :    10    2
> Atom   160 (   10) :    86    2
230c230
< Atom   162 (   10) :    10    2
> Atom   161 (   10) :    10    2
231c231
< Atom   163 (   10) :    10    2
> Atom   162 (   10) :    10    2
232c232
< Atom   164 (   10) :    10    2
> Atom   163 (   10) :    10    2
233c233
< Atom   165 (   10) :    10    2
> Atom   164 (   10) :    10    2
234c234
< Atom   166 (   10) :    10    2
> Atom   165 (   10) :    10    2
235c235
< Atom   167 (   10) :    10    2
> Atom   166 (   10) :    10    2
236c236
< Atom   168 (   10) :    10    2
> Atom   167 (   10) :    10    2
237c237
< Atom   169 (   10) :    10    2
> Atom   168 (   10) :    10    2
238c238
< Atom   170 (   10) :    10    2
> Atom   169 (   10) :    10    2
239c239
< Atom   171 (   10) :    10    2
> Atom   170 (   10) :    10    2
240c240
< Atom   172 (   10) :    10    2
> Atom   171 (   10) :    10    2
241c241
< Atom   173 (   10) :    10    2
> Atom   172 (   10) :    10    2
242c242
< Atom   174 (   10) :    10    2
> Atom   173 (   10) :    10    2
243c243
< Atom   175 (   10) :    10    2
> Atom   174 (   10) :    10    2
244c244
< Atom   176 (   10) :    10    2
> Atom   175 (   10) :    10    2
245c245
< Atom   177 (   10) :    86    2
> Atom   176 (   10) :    10    2
246c246
< Atom   178 (   10) :    86    2
> Atom   177 (   10) :    86    2
247c247
< Atom   179 (   11) :    87    2
> Atom   178 (   10) :    86    2
248c248
< Atom   180 (   11) :    87    2
> Atom   179 (   11) :    87    2
249c249
< Atom   181 (   11) :    87    2
> Atom   180 (   11) :    87    2
250c250
< Atom   182 (   11) :    87    2
> Atom   181 (   11) :    87    2
251c251
< Atom   183 (   11) :    11    2
> Atom   182 (   11) :    87    2
252c252
< Atom   184 (   11) :    11    2
> Atom   183 (   11) :    11    2
253c253
< Atom   185 (   11) :    11    2
> Atom   184 (   11) :    11    2
254c254
< Atom   186 (   11) :    11    2
> Atom   185 (   11) :    11    2
255c255
< Atom   187 (   11) :    11    2
> Atom   186 (   11) :    11    2
256c256
< Atom   188 (   11) :    11    2
> Atom   187 (   11) :    11    2
257c257
< Atom   189 (   11) :    11    2
> Atom   188 (   11) :    11    2
258c258
< Atom   190 (   11) :    11    2
> Atom   189 (   11) :    11    2
259c259
< Atom   191 (   11) :    11    2
> Atom   190 (   11) :    11    2
260c260
< Atom   192 (   11) :    11    2
> Atom   191 (   11) :    11    2
261c261
< Atom   193 (   11) :    11    2
> Atom   192 (   11) :    11    2
262c262
< Atom   194 (   11) :    87    2
> Atom   193 (   11) :    11    2
263c263
< Atom   195 (   11) :    87    2
> Atom   194 (   11) :    87    2
264c264
< Atom   196 (   12) :    88    2
> Atom   195 (   11) :    87    2
265c265
< Atom   197 (   12) :    88    2
> Atom   196 (   12) :    88    2
266c266
< Atom   198 (   12) :    88    2
> Atom   197 (   12) :    88    2
267c267
< Atom   199 (   12) :    88    2
> Atom   198 (   12) :    88    2
268c268
< Atom   200 (   12) :    12    2
> Atom   199 (   12) :    88    2
269c269
< Atom   201 (   12) :    12    2
> Atom   200 (   12) :    12    2
270c270
< Atom   202 (   12) :    12    2
> Atom   201 (   12) :    12    2
271c271
< Atom   203 (   12) :    12    2
> Atom   202 (   12) :    12    2
272c272
< Atom   204 (   12) :    12    2
> Atom   203 (   12) :    12    2
273c273
< Atom   205 (   12) :    12    2
> Atom   204 (   12) :    12    2
274c274
< Atom   206 (   12) :    12    2
> Atom   205 (   12) :    12    2
275c275
< Atom   207 (   12) :    12    2
> Atom   206 (   12) :    12    2
276c276
< Atom   208 (   12) :    12    2
> Atom   207 (   12) :    12    2
277c277
< Atom   209 (   12) :    12    2
> Atom   208 (   12) :    12    2
278c278
< Atom   210 (   12) :    12    2
> Atom   209 (   12) :    12    2
279c279
< Atom   211 (   12) :    12    2
> Atom   210 (   12) :    12    2
280c280
< Atom   212 (   12) :    12    2
> Atom   211 (   12) :    12    2
281c281
< Atom   213 (   12) :    12    2
> Atom   212 (   12) :    12    2
282c282
< Atom   214 (   12) :    12    2
> Atom   213 (   12) :    12    2
283c283
< Atom   215 (   12) :    12    2
> Atom   214 (   12) :    12    2
284c284
< Atom   216 (   12) :    12    2
> Atom   215 (   12) :    12    2
285c285
< Atom   217 (   12) :    12    2
> Atom   216 (   12) :    12    2
286c286
< Atom   218 (   12) :    88    2
> Atom   217 (   12) :    12    2
287c287
< Atom   219 (   12) :    88    2
> Atom   218 (   12) :    88    2
288c288
< Atom   220 (   13) :    89    2
> Atom   219 (   12) :    88    2
289c289
< Atom   221 (   13) :    89    2
> Atom   220 (   13) :    89    2
290c290
< Atom   222 (   13) :    89    2
> Atom   221 (   13) :    89    2
291c291
< Atom   223 (   13) :    89    2
> Atom   222 (   13) :    89    2
292c292
< Atom   224 (   13) :    13    2
> Atom   223 (   13) :    89    2
293c293
< Atom   225 (   13) :    13    2
> Atom   224 (   13) :    13    2
294c294
< Atom   226 (   13) :    13    2
> Atom   225 (   13) :    13    2
295c295
< Atom   227 (   13) :    13    2
> Atom   226 (   13) :    13    2
296c296
< Atom   228 (   13) :    13    2
> Atom   227 (   13) :    13    2
297c297
< Atom   229 (   13) :    13    2
> Atom   228 (   13) :    13    2
298c298
< Atom   230 (   13) :    13    2
> Atom   229 (   13) :    13    2
299c299
< Atom   231 (   13) :    13    2
> Atom   230 (   13) :    13    2
300c300
< Atom   232 (   13) :    89    2
> Atom   231 (   13) :    13    2
301c301
< Atom   233 (   13) :    89    2
> Atom   232 (   13) :    89    2
302c302
< Atom   234 (   14) :    90    2
> Atom   233 (   13) :    89    2
303c303
< Atom   235 (   14) :    90    2
> Atom   234 (   14) :    90    2
304c304
< Atom   236 (   14) :    90    2
> Atom   235 (   14) :    90    2
305c305
< Atom   237 (   14) :    90    2
> Atom   236 (   14) :    90    2
306c306
< Atom   238 (   14) :    14    2
> Atom   237 (   14) :    90    2
307c307
< Atom   239 (   14) :    14    2
> Atom   238 (   14) :    14    2
308c308
< Atom   240 (   14) :    14    2
> Atom   239 (   14) :    14    2
309c309
< Atom   241 (   14) :    14    2
> Atom   240 (   14) :    14    2
310c310
< Atom   242 (   14) :    14    2
> Atom   241 (   14) :    14    2
311c311
< Atom   243 (   14) :    14    2
> Atom   242 (   14) :    14    2
312c312
< Atom   244 (   14) :    14    2
> Atom   243 (   14) :    14    2
313c313
< Atom   245 (   14) :    14    2
> Atom   244 (   14) :    14    2
314c314
< Atom   246 (   14) :    14    2
> Atom   245 (   14) :    14    2
315c315
< Atom   247 (   14) :    14    2
> Atom   246 (   14) :    14    2
316c316
< Atom   248 (   14) :    90    2
> Atom   247 (   14) :    14    2
317c317
< Atom   249 (   14) :    90    2
> Atom   248 (   14) :    90    2
318c318
< Atom   250 (   15) :    91    2
> Atom   249 (   14) :    90    2
319c319
< Atom   251 (   15) :    91    2
> Atom   250 (   15) :    91    2
320c320
< Atom   252 (   15) :    91    2
> Atom   251 (   15) :    91    2
321c321
< Atom   253 (   15) :    91    2
> Atom   252 (   15) :    91    2
322c322
< Atom   254 (   15) :    15    2
> Atom   253 (   15) :    91    2
323c323
< Atom   255 (   15) :    15    2
> Atom   254 (   15) :    15    2
324c324
< Atom   256 (   15) :    15    2
> Atom   255 (   15) :    15    2
325c325
< Atom   257 (   15) :    15    2
> Atom   256 (   15) :    15    2
326c326
< Atom   258 (   15) :    15    2
> Atom   257 (   15) :    15    2
327c327
< Atom   259 (   15) :    15    2
> Atom   258 (   15) :    15    2
328c328
< Atom   260 (   15) :    15    2
> Atom   259 (   15) :    15    2
329c329
< Atom   261 (   15) :    15    2
> Atom   260 (   15) :    15    2
330c330
< Atom   262 (   15) :    15    2
> Atom   261 (   15) :    15    2
331c331
< Atom   263 (   15) :    15    2
> Atom   262 (   15) :    15    2
332c332
< Atom   264 (   15) :    91    2
> Atom   263 (   15) :    15    2
333c333
< Atom   265 (   15) :    91    2
> Atom   264 (   15) :    91    2
334c334
< Atom   266 (   16) :    92    2
> Atom   265 (   15) :    91    2
335c335
< Atom   267 (   16) :    92    2
> Atom   266 (   16) :    92    2
336c336
< Atom   268 (   16) :    92    2
> Atom   267 (   16) :    92    2
337c337
< Atom   269 (   16) :    92    2
> Atom   268 (   16) :    92    2
338c338
< Atom   270 (   16) :    16    2
> Atom   269 (   16) :    92    2
339c339
< Atom   271 (   16) :    16    2
> Atom   270 (   16) :    16    2
340c340
< Atom   272 (   16) :    16    2
> Atom   271 (   16) :    16    2
341c341
< Atom   273 (   16) :    16    2
> Atom   272 (   16) :    16    2
342c342
< Atom   274 (   16) :    16    2
> Atom   273 (   16) :    16    2
343c343
< Atom   275 (   16) :    16    2
> Atom   274 (   16) :    16    2
344c344
< Atom   276 (   16) :    16    2
> Atom   275 (   16) :    16    2
345c345
< Atom   277 (   16) :    16    2
> Atom   276 (   16) :    16    2
346c346
< Atom   278 (   16) :    92    2
> Atom   277 (   16) :    16    2
347c347
< Atom   279 (   16) :    92    2
> Atom   278 (   16) :    92    2
348c348
< Atom   280 (   17) :    93    2
> Atom   279 (   16) :    92    2
349c349
< Atom   281 (   17) :    93    2
> Atom   280 (   17) :    93    2
350c350
< Atom   282 (   17) :    93    2
> Atom   281 (   17) :    93    2
351c351
< Atom   283 (   17) :    93    2
> Atom   282 (   17) :    93    2
352c352
< Atom   284 (   17) :    17    2
> Atom   283 (   17) :    93    2
353c353
< Atom   285 (   17) :    17    2
> Atom   284 (   17) :    17    2
354c354
< Atom   286 (   17) :    17    2
> Atom   285 (   17) :    17    2
355c355
< Atom   287 (   17) :    17    2
> Atom   286 (   17) :    17    2
356c356
< Atom   288 (   17) :    17    2
> Atom   287 (   17) :    17    2
357c357
< Atom   289 (   17) :    17    2
> Atom   288 (   17) :    17    2
358c358
< Atom   290 (   17) :    17    2
> Atom   289 (   17) :    17    2
359c359
< Atom   291 (   17) :    17    2
> Atom   290 (   17) :    17    2
360c360
< Atom   292 (   17) :    17    2
> Atom   291 (   17) :    17    2
361c361
< Atom   293 (   17) :    17    2
> Atom   292 (   17) :    17    2
362c362
< Atom   294 (   17) :    93    2
> Atom   293 (   17) :    17    2
363c363
< Atom   295 (   17) :    93    2
> Atom   294 (   17) :    93    2
364c364
< Atom   296 (   18) :    94    2
> Atom   295 (   17) :    93    2
365c365
< Atom   297 (   18) :    94    2
> Atom   296 (   18) :    94    2
366c366
< Atom   298 (   18) :    94    2
> Atom   297 (   18) :    94    2
367c367
< Atom   299 (   18) :    94    2
> Atom   298 (   18) :    94    2
368c368
< Atom   300 (   18) :    18    2
> Atom   299 (   18) :    94    2
369c369
< Atom   301 (   18) :    18    2
> Atom   300 (   18) :    18    2
370c370
< Atom   302 (   18) :    18    2
> Atom   301 (   18) :    18    2
371c371
< Atom   303 (   18) :    18    2
> Atom   302 (   18) :    18    2
372c372
< Atom   304 (   18) :    18    2
> Atom   303 (   18) :    18    2
373c373
< Atom   305 (   18) :    18    2
> Atom   304 (   18) :    18    2
374c374
< Atom   306 (   18) :    18    2
> Atom   305 (   18) :    18    2
375c375
< Atom   307 (   18) :    18    2
> Atom   306 (   18) :    18    2
376c376
< Atom   308 (   18) :    18    2
> Atom   307 (   18) :    18    2
377c377
< Atom   309 (   18) :    18    2
> Atom   308 (   18) :    18    2
378c378
< Atom   310 (   18) :    18    2
> Atom   309 (   18) :    18    2
379c379
< Atom   311 (   18) :    18    2
> Atom   310 (   18) :    18    2
380c380
< Atom   312 (   18) :    18    2
> Atom   311 (   18) :    18    2
381c381
< Atom   313 (   18) :    18    2
> Atom   312 (   18) :    18    2
382c382
< Atom   314 (   18) :    18    2
> Atom   313 (   18) :    18    2
383c383
< Atom   315 (   18) :    18    2
> Atom   314 (   18) :    18    2
384c384
< Atom   316 (   18) :    18    2
> Atom   315 (   18) :    18    2
385c385
< Atom   317 (   18) :    18    2
> Atom   316 (   18) :    18    2
386c386
< Atom   318 (   18) :    94    2
> Atom   317 (   18) :    18    2
387c387
< Atom   319 (   18) :    94    2
> Atom   318 (   18) :    94    2
388c388
< Atom   320 (   19) :    95    2
> Atom   319 (   18) :    94    2
389c389
< Atom   321 (   19) :    95    2
> Atom   320 (   19) :    95    2
390c390
< Atom   322 (   19) :    95    2
> Atom   321 (   19) :    95    2
391c391
< Atom   323 (   19) :    95    2
> Atom   322 (   19) :    95    2
392c392
< Atom   324 (   19) :    19    2
> Atom   323 (   19) :    95    2
393c393
< Atom   325 (   19) :    19    2
> Atom   324 (   19) :    19    2
394c394
< Atom   326 (   19) :    19    2
> Atom   325 (   19) :    19    2
395c395
< Atom   327 (   19) :    19    2
> Atom   326 (   19) :    19    2
396c396
< Atom   328 (   19) :    19    2
> Atom   327 (   19) :    19    2
397c397
< Atom   329 (   19) :    19    2
> Atom   328 (   19) :    19    2
398c398
< Atom   330 (   19) :    19    2
> Atom   329 (   19) :    19    2
399c399
< Atom   331 (   19) :    19    2
> Atom   330 (   19) :    19    2
400c400
< Atom   332 (   19) :    95    2
> Atom   331 (   19) :    19    2
401c401
< Atom   333 (   19) :    95    2
> Atom   332 (   19) :    95    2
402c402
< Atom   334 (   20) :    96    2
> Atom   333 (   19) :    95    2
403c403
< Atom   335 (   20) :    96    2
> Atom   334 (   20) :    96    2
404c404
< Atom   336 (   20) :    96    2
> Atom   335 (   20) :    96    2
405c405
< Atom   337 (   20) :    96    2
> Atom   336 (   20) :    96    2
406c406
< Atom   338 (   20) :    96    2
> Atom   337 (   20) :    96    2
407c407
< Atom   339 (   20) :    96    2
> Atom   338 (   20) :    96    2
408c408
< Atom   340 (   20) :    96    2
> Atom   339 (   20) :    96    2
409c409
< Atom   341 (   21) :    97    2
> Atom   340 (   20) :    96    2
410c410
< Atom   342 (   21) :    97    2
> Atom   341 (   21) :    97    2
411c411
< Atom   343 (   21) :    97    2
> Atom   342 (   21) :    97    2
412c412
< Atom   344 (   21) :    97    2
> Atom   343 (   21) :    97    2
413c413
< Atom   345 (   21) :    21    2
> Atom   344 (   21) :    97    2
414c414
< Atom   346 (   21) :    21    2
> Atom   345 (   21) :    21    2
415c415
< Atom   347 (   21) :    21    2
> Atom   346 (   21) :    21    2
416c416
< Atom   348 (   21) :    21    2
> Atom   347 (   21) :    21    2
417c417
< Atom   349 (   21) :    21    2
> Atom   348 (   21) :    21    2
418c418
< Atom   350 (   21) :    21    2
> Atom   349 (   21) :    21    2
419c419
< Atom   351 (   21) :    21    2
> Atom   350 (   21) :    21    2
420c420
< Atom   352 (   21) :    21    2
> Atom   351 (   21) :    21    2
421c421
< Atom   353 (   21) :    21    2
> Atom   352 (   21) :    21    2
422c422
< Atom   354 (   21) :    21    2
> Atom   353 (   21) :    21    2
423c423
< Atom   355 (   21) :    21    2
> Atom   354 (   21) :    21    2
424c424
< Atom   356 (   21) :    97    2
> Atom   355 (   21) :    21    2
425c425
< Atom   357 (   21) :    97    2
> Atom   356 (   21) :    97    2
426c426
< Atom   358 (   22) :    98    2
> Atom   357 (   21) :    97    2
427c427
< Atom   359 (   22) :    98    2
> Atom   358 (   22) :    98    2
428c428
< Atom   360 (   22) :    98    2
> Atom   359 (   22) :    98    2
429c429
< Atom   361 (   22) :    98    2
> Atom   360 (   22) :    98    2
430c430
< Atom   362 (   22) :    22    2
> Atom   361 (   22) :    98    2
431c431
< Atom   363 (   22) :    22    2
> Atom   362 (   22) :    22    2
432c432
< Atom   364 (   22) :    22    2
> Atom   363 (   22) :    22    2
433c433
< Atom   365 (   22) :    22    2
> Atom   364 (   22) :    22    2
434c434
< Atom   366 (   22) :    22    2
> Atom   365 (   22) :    22    2
435c435
< Atom   367 (   22) :    98    2
> Atom   366 (   22) :    22    2
436c436
< Atom   368 (   22) :    98    2
> Atom   367 (   22) :    98    2
437c437
< Atom   369 (   23) :    99    2
> Atom   368 (   22) :    98    2
438c438
< Atom   370 (   23) :    99    2
> Atom   369 (   23) :    99    2
439c439
< Atom   371 (   23) :    99    2
> Atom   370 (   23) :    99    2
440c440
< Atom   372 (   23) :    99    2
> Atom   371 (   23) :    99    2
441c441
< Atom   373 (   23) :    23    2
> Atom   372 (   23) :    99    2
442c442
< Atom   374 (   23) :    23    2
> Atom   373 (   23) :    23    2
443c443
< Atom   375 (   23) :    23    2
> Atom   374 (   23) :    23    2
444c444
< Atom   376 (   23) :    23    2
> Atom   375 (   23) :    23    2
445c445
< Atom   377 (   23) :    23    2
> Atom   376 (   23) :    23    2
446c446
< Atom   378 (   23) :    23    2
> Atom   377 (   23) :    23    2
447c447
< Atom   379 (   23) :    23    2
> Atom   378 (   23) :    23    2
448c448
< Atom   380 (   23) :    23    2
> Atom   379 (   23) :    23    2
449c449
< Atom   381 (   23) :    23    2
> Atom   380 (   23) :    23    2
450c450
< Atom   382 (   23) :    23    2
> Atom   381 (   23) :    23    2
451c451
< Atom   383 (   23) :    23    2
> Atom   382 (   23) :    23    2
452c452
< Atom   384 (   23) :    23    2
> Atom   383 (   23) :    23    2
453c453
< Atom   385 (   23) :    23    2
> Atom   384 (   23) :    23    2
454c454
< Atom   386 (   23) :    99    2
> Atom   385 (   23) :    23    2
455c455
< Atom   387 (   23) :    99    2
> Atom   386 (   23) :    99    2
456c456
< Atom   388 (   24) :   100    2
> Atom   387 (   23) :    99    2
457c457
< Atom   389 (   24) :   100    2
> Atom   388 (   24) :   100    2
458c458
< Atom   390 (   24) :   100    2
> Atom   389 (   24) :   100    2
459c459
< Atom   391 (   24) :   100    2
> Atom   390 (   24) :   100    2
460c460
< Atom   392 (   24) :    24    2
> Atom   391 (   24) :   100    2
461c461
< Atom   393 (   24) :    24    2
> Atom   392 (   24) :    24    2
462c462
< Atom   394 (   24) :    24    2
> Atom   393 (   24) :    24    2
463c463
< Atom   395 (   24) :    24    2
> Atom   394 (   24) :    24    2
464c464
< Atom   396 (   24) :    24    2
> Atom   395 (   24) :    24    2
465c465
< Atom   397 (   24) :    24    2
> Atom   396 (   24) :    24    2
466c466
< Atom   398 (   24) :    24    2
> Atom   397 (   24) :    24    2
467c467
< Atom   399 (   24) :    24    2
> Atom   398 (   24) :    24    2
468c468
< Atom   400 (   24) :    24    2
> Atom   399 (   24) :    24    2
469c469
< Atom   401 (   24) :    24    2
> Atom   400 (   24) :    24    2
470c470
< Atom   402 (   24) :    24    2
> Atom   401 (   24) :    24    2
471c471
< Atom   403 (   24) :    24    2
> Atom   402 (   24) :    24    2
472c472
< Atom   404 (   24) :   100    2
> Atom   403 (   24) :    24    2
473c473
< Atom   405 (   24) :   100    2
> Atom   404 (   24) :   100    2
474c474
< Atom   406 (   25) :   101    2
> Atom   405 (   24) :   100    2
475c475
< Atom   407 (   25) :   101    2
> Atom   406 (   25) :   101    2
476c476
< Atom   408 (   25) :   101    2
> Atom   407 (   25) :   101    2
477c477
< Atom   409 (   25) :   101    2
> Atom   408 (   25) :   101    2
478c478
< Atom   410 (   25) :    25    2
> Atom   409 (   25) :   101    2
479c479
< Atom   411 (   25) :    25    2
> Atom   410 (   25) :    25    2
480c480
< Atom   412 (   25) :    25    2
> Atom   411 (   25) :    25    2
481c481
< Atom   413 (   25) :    25    2
> Atom   412 (   25) :    25    2
482c482
< Atom   414 (   25) :    25    2
> Atom   413 (   25) :    25    2
483c483
< Atom   415 (   25) :    25    2
> Atom   414 (   25) :    25    2
484c484
< Atom   416 (   25) :   101    2
> Atom   415 (   25) :    25    2
485c485
< Atom   417 (   25) :   101    2
> Atom   416 (   25) :   101    2
486c486
< Atom   418 (   26) :   102    2
> Atom   417 (   25) :   101    2
487c487
< Atom   419 (   26) :   102    2
> Atom   418 (   26) :   102    2
488c488
< Atom   420 (   26) :   102    2
> Atom   419 (   26) :   102    2
489c489
< Atom   421 (   26) :   102    2
> Atom   420 (   26) :   102    2
490c490
< Atom   422 (   26) :    26    2
> Atom   421 (   26) :   102    2
491c491
< Atom   423 (   26) :    26    2
> Atom   422 (   26) :    26    2
492c492
< Atom   424 (   26) :    26    2
> Atom   423 (   26) :    26    2
493c493
< Atom   425 (   26) :    26    2
> Atom   424 (   26) :    26    2
494c494
< Atom   426 (   26) :    26    2
> Atom   425 (   26) :    26    2
495c495
< Atom   427 (   26) :   102    2
> Atom   426 (   26) :    26    2
496c496
< Atom   428 (   26) :   102    2
> Atom   427 (   26) :   102    2
497c497
< Atom   429 (   27) :   103    2
> Atom   428 (   26) :   102    2
498c498
< Atom   430 (   27) :   103    2
> Atom   429 (   27) :   103    2
499c499
< Atom   431 (   27) :   103    2
> Atom   430 (   27) :   103    2
500c500
< Atom   432 (   27) :   103    2
> Atom   431 (   27) :   103    2
501c501
< Atom   433 (   27) :    27    2
> Atom   432 (   27) :   103    2
502c502
< Atom   434 (   27) :    27    2
> Atom   433 (   27) :    27    2
503c503
< Atom   435 (   27) :    27    2
> Atom   434 (   27) :    27    2
504c504
< Atom   436 (   27) :    27    2
> Atom   435 (   27) :    27    2
505c505
< Atom   437 (   27) :    27    2
> Atom   436 (   27) :    27    2
506c506
< Atom   438 (   27) :    27    2
> Atom   437 (   27) :    27    2
507c507
< Atom   439 (   27) :    27    2
> Atom   438 (   27) :    27    2
508c508
< Atom   440 (   27) :    27    2
> Atom   439 (   27) :    27    2
509c509
< Atom   441 (   27) :    27    2
> Atom   440 (   27) :    27    2
510c510
< Atom   442 (   27) :    27    2
> Atom   441 (   27) :    27    2
511c511
< Atom   443 (   27) :    27    2
> Atom   442 (   27) :    27    2
512c512
< Atom   444 (   27) :    27    2
> Atom   443 (   27) :    27    2
513c513
< Atom   445 (   27) :    27    2
> Atom   444 (   27) :    27    2
514c514
< Atom   446 (   27) :   103    2
> Atom   445 (   27) :    27    2
515c515
< Atom   447 (   27) :   103    2
> Atom   446 (   27) :   103    2
516c516
< Atom   448 (   28) :   104    2
> Atom   447 (   27) :   103    2
517c517
< Atom   449 (   28) :   104    2
> Atom   448 (   28) :   104    2
518c518
< Atom   450 (   28) :   104    2
> Atom   449 (   28) :   104    2
519c519
< Atom   451 (   28) :   104    2
> Atom   450 (   28) :   104    2
520c520
< Atom   452 (   28) :    28    2
> Atom   451 (   28) :   104    2
521c521
< Atom   453 (   28) :    28    2
> Atom   452 (   28) :    28    2
522c522
< Atom   454 (   28) :    28    2
> Atom   453 (   28) :    28    2
523c523
< Atom   455 (   28) :    28    2
> Atom   454 (   28) :    28    2
524c524
< Atom   456 (   28) :    28    2
> Atom   455 (   28) :    28    2
525c525
< Atom   457 (   28) :    28    2
> Atom   456 (   28) :    28    2
526c526
< Atom   458 (   28) :    28    2
> Atom   457 (   28) :    28    2
527c527
< Atom   459 (   28) :    28    2
> Atom   458 (   28) :    28    2
528c528
< Atom   460 (   28) :    28    2
> Atom   459 (   28) :    28    2
529c529
< Atom   461 (   28) :    28    2
> Atom   460 (   28) :    28    2
530c530
< Atom   462 (   28) :    28    2
> Atom   461 (   28) :    28    2
531c531
< Atom   463 (   28) :   104    2
> Atom   462 (   28) :    28    2
532c532
< Atom   464 (   28) :   104    2
> Atom   463 (   28) :   104    2
533c533
< Atom   465 (   29) :   105    2
> Atom   464 (   28) :   104    2
534c534
< Atom   466 (   29) :   105    2
> Atom   465 (   29) :   105    2
535c535
< Atom   467 (   29) :   105    2
> Atom   466 (   29) :   105    2
536c536
< Atom   468 (   29) :   105    2
> Atom   467 (   29) :   105    2
537c537
< Atom   469 (   29) :    29    2
> Atom   468 (   29) :   105    2
538c538
< Atom   470 (   29) :    29    2
> Atom   469 (   29) :    29    2
539c539
< Atom   471 (   29) :    29    2
> Atom   470 (   29) :    29    2
540c540
< Atom   472 (   29) :    29    2
> Atom   471 (   29) :    29    2
541c541
< Atom   473 (   29) :    29    2
> Atom   472 (   29) :    29    2
542c542
< Atom   474 (   29) :    29    2
> Atom   473 (   29) :    29    2
543c543
< Atom   475 (   29) :    29    2
> Atom   474 (   29) :    29    2
544c544
< Atom   476 (   29) :    29    2
> Atom   475 (   29) :    29    2
545c545
< Atom   477 (   29) :    29    2
> Atom   476 (   29) :    29    2
546c546
< Atom   478 (   29) :    29    2
> Atom   477 (   29) :    29    2
547c547
< Atom   479 (   29) :    29    2
> Atom   478 (   29) :    29    2
548c548
< Atom   480 (   29) :    29    2
> Atom   479 (   29) :    29    2
549c549
< Atom   481 (   29) :    29    2
> Atom   480 (   29) :    29    2
550c550
< Atom   482 (   29) :    29    2
> Atom   481 (   29) :    29    2
551c551
< Atom   483 (   29) :    29    2
> Atom   482 (   29) :    29    2
552c552
< Atom   484 (   29) :    29    2
> Atom   483 (   29) :    29    2
553c553
< Atom   485 (   29) :   105    2
> Atom   484 (   29) :    29    2
554c554
< Atom   486 (   29) :   105    2
> Atom   485 (   29) :   105    2
555c555
< Atom   487 (   30) :   106    2
> Atom   486 (   29) :   105    2
556c556
< Atom   488 (   30) :   106    2
> Atom   487 (   30) :   106    2
557c557
< Atom   489 (   30) :   106    2
> Atom   488 (   30) :   106    2
558c558
< Atom   490 (   30) :   106    2
> Atom   489 (   30) :   106    2
559c559
< Atom   491 (   30) :    30    2
> Atom   490 (   30) :   106    2
560c560
< Atom   492 (   30) :    30    2
> Atom   491 (   30) :    30    2
561c561
< Atom   493 (   30) :    30    2
> Atom   492 (   30) :    30    2
562c562
< Atom   494 (   30) :    30    2
> Atom   493 (   30) :    30    2
563c563
< Atom   495 (   30) :   106    2
> Atom   494 (   30) :    30    2
564c564
< Atom   496 (   30) :   106    2
> Atom   495 (   30) :   106    2
565c565
< Atom   497 (   31) :   107    2
> Atom   496 (   30) :   106    2
566c566
< Atom   498 (   31) :   107    2
> Atom   497 (   31) :   107    2
567c567
< Atom   499 (   31) :   107    2
> Atom   498 (   31) :   107    2
568c568
< Atom   500 (   31) :   107    2
> Atom   499 (   31) :   107    2
569c569
< Atom   501 (   31) :    31    2
> Atom   500 (   31) :   107    2
570c570
< Atom   502 (   31) :    31    2
> Atom   501 (   31) :    31    2
571c571
< Atom   503 (   31) :    31    2
> Atom   502 (   31) :    31    2
572c572
< Atom   504 (   31) :    31    2
> Atom   503 (   31) :    31    2
573c573
< Atom   505 (   31) :    31    2
> Atom   504 (   31) :    31    2
574c574
< Atom   506 (   31) :    31    2
> Atom   505 (   31) :    31    2
575c575
< Atom   507 (   31) :    31    2
> Atom   506 (   31) :    31    2
576c576
< Atom   508 (   31) :    31    2
> Atom   507 (   31) :    31    2
577c577
< Atom   509 (   31) :    31    2
> Atom   508 (   31) :    31    2
578c578
< Atom   510 (   31) :    31    2
> Atom   509 (   31) :    31    2
579c579
< Atom   511 (   31) :    31    2
> Atom   510 (   31) :    31    2
580c580
< Atom   512 (   31) :    31    2
> Atom   511 (   31) :    31    2
581c581
< Atom   513 (   31) :    31    2
> Atom   512 (   31) :    31    2
582c582
< Atom   514 (   31) :   107    2
> Atom   513 (   31) :    31    2
583c583
< Atom   515 (   31) :   107    2
> Atom   514 (   31) :   107    2
584c584
< Atom   516 (   32) :   108    2
> Atom   515 (   31) :   107    2
585c585
< Atom   517 (   32) :   108    2
> Atom   516 (   32) :   108    2
586c586
< Atom   518 (   32) :   108    2
> Atom   517 (   32) :   108    2
587c587
< Atom   519 (   32) :   108    2
> Atom   518 (   32) :   108    2
588c588
< Atom   520 (   32) :    32    2
> Atom   519 (   32) :   108    2
589c589
< Atom   521 (   32) :    32    2
> Atom   520 (   32) :    32    2
590c590
< Atom   522 (   32) :    32    2
> Atom   521 (   32) :    32    2
591c591
< Atom   523 (   32) :    32    2
> Atom   522 (   32) :    32    2
592c592
< Atom   524 (   32) :    32    2
> Atom   523 (   32) :    32    2
593c593
< Atom   525 (   32) :    32    2
> Atom   524 (   32) :    32    2
594c594
< Atom   526 (   32) :    32    2
> Atom   525 (   32) :    32    2
595c595
< Atom   527 (   32) :    32    2
> Atom   526 (   32) :    32    2
596c596
< Atom   528 (   32) :    32    2
> Atom   527 (   32) :    32    2
597c597
< Atom   529 (   32) :    32    2
> Atom   528 (   32) :    32    2
598c598
< Atom   530 (   32) :    32    2
> Atom   529 (   32) :    32    2
599c599
< Atom   531 (   32) :    32    2
> Atom   530 (   32) :    32    2
600c600
< Atom   532 (   32) :    32    2
> Atom   531 (   32) :    32    2
601c601
< Atom   533 (   32) :    32    2
> Atom   532 (   32) :    32    2
602c602
< Atom   534 (   32) :    32    2
> Atom   533 (   32) :    32    2
603c603
< Atom   535 (   32) :    32    2
> Atom   534 (   32) :    32    2
604c604
< Atom   536 (   32) :   108    2
> Atom   535 (   32) :    32    2
605c605
< Atom   537 (   32) :   108    2
> Atom   536 (   32) :   108    2
606c606
< Atom   538 (   33) :   109    2
> Atom   537 (   32) :   108    2
607c607
< Atom   539 (   33) :   109    2
> Atom   538 (   33) :   109    2
608c608
< Atom   540 (   33) :   109    2
> Atom   539 (   33) :   109    2
609c609
< Atom   541 (   33) :   109    2
> Atom   540 (   33) :   109    2
610c610
< Atom   542 (   33) :    33    2
> Atom   541 (   33) :   109    2
611c611
< Atom   543 (   33) :    33    2
> Atom   542 (   33) :    33    2
612c612
< Atom   544 (   33) :    33    2
> Atom   543 (   33) :    33    2
613c613
< Atom   545 (   33) :    33    2
> Atom   544 (   33) :    33    2
614c614
< Atom   546 (   33) :    33    2
> Atom   545 (   33) :    33    2
615c615
< Atom   547 (   33) :    33    2
> Atom   546 (   33) :    33    2
616c616
< Atom   548 (   33) :    33    2
> Atom   547 (   33) :    33    2
617c617
< Atom   549 (   33) :    33    2
> Atom   548 (   33) :    33    2
618c618
< Atom   550 (   33) :    33    2
> Atom   549 (   33) :    33    2
619c619
< Atom   551 (   33) :    33    2
> Atom   550 (   33) :    33    2
620c620
< Atom   552 (   33) :   109    2
> Atom   551 (   33) :    33    2
621c621
< Atom   553 (   33) :   109    2
> Atom   552 (   33) :   109    2
622c622
< Atom   554 (   34) :   110    2
> Atom   553 (   33) :   109    2
623c623
< Atom   555 (   34) :   110    2
> Atom   554 (   34) :   110    2
624c624
< Atom   556 (   34) :   110    2
> Atom   555 (   34) :   110    2
625c625
< Atom   557 (   34) :   110    2
> Atom   556 (   34) :   110    2
626c626
< Atom   558 (   34) :    34    2
> Atom   557 (   34) :   110    2
627c627
< Atom   559 (   34) :    34    2
> Atom   558 (   34) :    34    2
628c628
< Atom   560 (   34) :    34    2
> Atom   559 (   34) :    34    2
629c629
< Atom   561 (   34) :    34    2
> Atom   560 (   34) :    34    2
630c630
< Atom   562 (   34) :    34    2
> Atom   561 (   34) :    34    2
631c631
< Atom   563 (   34) :    34    2
> Atom   562 (   34) :    34    2
632c632
< Atom   564 (   34) :    34    2
> Atom   563 (   34) :    34    2
633c633
< Atom   565 (   34) :    34    2
> Atom   564 (   34) :    34    2
634c634
< Atom   566 (   34) :    34    2
> Atom   565 (   34) :    34    2
635c635
< Atom   567 (   34) :    34    2
> Atom   566 (   34) :    34    2
636c636
< Atom   568 (   34) :    34    2
> Atom   567 (   34) :    34    2
637c637
< Atom   569 (   34) :    34    2
> Atom   568 (   34) :    34    2
638c638
< Atom   570 (   34) :    34    2
> Atom   569 (   34) :    34    2
639c639
< Atom   571 (   34) :    34    2
> Atom   570 (   34) :    34    2
640c640
< Atom   572 (   34) :    34    2
> Atom   571 (   34) :    34    2
641c641
< Atom   573 (   34) :    34    2
> Atom   572 (   34) :    34    2
642c642
< Atom   574 (   34) :    34    2
> Atom   573 (   34) :    34    2
643c643
< Atom   575 (   34) :    34    2
> Atom   574 (   34) :    34    2
644c644
< Atom   576 (   34) :   110    2
> Atom   575 (   34) :    34    2
645c645
< Atom   577 (   34) :   110    2
> Atom   576 (   34) :   110    2
646c646
< Atom   578 (   35) :   111    2
> Atom   577 (   34) :   110    2
647c647
< Atom   579 (   35) :   111    2
> Atom   578 (   35) :   111    2
648c648
< Atom   580 (   35) :   111    2
> Atom   579 (   35) :   111    2
649c649
< Atom   581 (   35) :   111    2
> Atom   580 (   35) :   111    2
650c650
< Atom   582 (   35) :   111    2
> Atom   581 (   35) :   111    2
651c651
< Atom   583 (   35) :   111    2
> Atom   582 (   35) :   111    2
652c652
< Atom   584 (   35) :   111    2
> Atom   583 (   35) :   111    2
653c653
< Atom   585 (   36) :   112    2
> Atom   584 (   35) :   111    2
654c654
< Atom   586 (   36) :   112    2
> Atom   585 (   36) :   112    2
655c655
< Atom   587 (   36) :   112    2
> Atom   586 (   36) :   112    2
656c656
< Atom   588 (   36) :   112    2
> Atom   587 (   36) :   112    2
657c657
< Atom   589 (   36) :    36    2
> Atom   588 (   36) :   112    2
658c658
< Atom   590 (   36) :    36    2
> Atom   589 (   36) :    36    2
659c659
< Atom   591 (   36) :    36    2
> Atom   590 (   36) :    36    2
660c660
< Atom   592 (   36) :    36    2
> Atom   591 (   36) :    36    2
661c661
< Atom   593 (   36) :    36    2
> Atom   592 (   36) :    36    2
662c662
< Atom   594 (   36) :    36    2
> Atom   593 (   36) :    36    2
663c663
< Atom   595 (   36) :    36    2
> Atom   594 (   36) :    36    2
664c664
< Atom   596 (   36) :    36    2
> Atom   595 (   36) :    36    2
665c665
< Atom   597 (   36) :    36    2
> Atom   596 (   36) :    36    2
666c666
< Atom   598 (   36) :    36    2
> Atom   597 (   36) :    36    2
667c667
< Atom   599 (   36) :    36    2
> Atom   598 (   36) :    36    2
668c668
< Atom   600 (   36) :    36    2
> Atom   599 (   36) :    36    2
669c669
< Atom   601 (   36) :    36    2
> Atom   600 (   36) :    36    2
670c670
< Atom   602 (   36) :   112    2
> Atom   601 (   36) :    36    2
671c671
< Atom   603 (   36) :   112    2
> Atom   602 (   36) :   112    2
672c672
< Atom   604 (   37) :   113    2
> Atom   603 (   36) :   112    2
673c673
< Atom   605 (   37) :   113    2
> Atom   604 (   37) :   113    2
674c674
< Atom   606 (   37) :   113    2
> Atom   605 (   37) :   113    2
675c675
< Atom   607 (   37) :   113    2
> Atom   606 (   37) :   113    2
676c676
< Atom   608 (   37) :    37    2
> Atom   607 (   37) :   113    2
677c677
< Atom   609 (   37) :    37    2
> Atom   608 (   37) :    37    2
678c678
< Atom   610 (   37) :    37    2
> Atom   609 (   37) :    37    2
679c679
< Atom   611 (   37) :    37    2
> Atom   610 (   37) :    37    2
680c680
< Atom   612 (   37) :    37    2
> Atom   611 (   37) :    37    2
681c681
< Atom   613 (   37) :    37    2
> Atom   612 (   37) :    37    2
682c682
< Atom   614 (   37) :    37    2
> Atom   613 (   37) :    37    2
683c683
< Atom   615 (   37) :    37    2
> Atom   614 (   37) :    37    2
684c684
< Atom   616 (   37) :    37    2
> Atom   615 (   37) :    37    2
685c685
< Atom   617 (   37) :    37    2
> Atom   616 (   37) :    37    2
686c686
< Atom   618 (   37) :    37    2
> Atom   617 (   37) :    37    2
687c687
< Atom   619 (   37) :   113    2
> Atom   618 (   37) :    37    2
688c688
< Atom   620 (   37) :   113    2
> Atom   619 (   37) :   113    2
689c689
< Atom   621 (   38) :   114    2
> Atom   620 (   37) :   113    2
690c690
< Atom   622 (   38) :    38    2
> Atom   621 (   38) :   114    2
691c691
< Atom   623 (   38) :    38    2
> Atom   622 (   38) :    38    2
692c692
< Atom   624 (   38) :    38    2
> Atom   623 (   38) :    38    2
693c693
< Atom   625 (   38) :    38    2
> Atom   624 (   38) :    38    2
694c694
< Atom   626 (   38) :    38    2
> Atom   625 (   38) :    38    2
695c695
< Atom   627 (   38) :    38    2
> Atom   626 (   38) :    38    2
696c696
< Atom   628 (   38) :    38    2
> Atom   627 (   38) :    38    2
697c697
< Atom   629 (   38) :    38    2
> Atom   628 (   38) :    38    2
698c698
< Atom   630 (   38) :    38    2
> Atom   629 (   38) :    38    2
699c699
< Atom   631 (   38) :   114    2
> Atom   630 (   38) :    38    2
700c700
< Atom   632 (   38) :   114    2
> Atom   631 (   38) :   114    2
701c701
< Atom   633 (   38) :   114    2
> Atom   632 (   38) :   114    2
702c702
< Atom   634 (   38) :   114    2
> Atom   633 (   38) :   114    2
703c703
< Atom   635 (   39) :   115    2
> Atom   634 (   38) :   114    2
704c704
< Atom   636 (   39) :   115    2
> Atom   635 (   39) :   115    2
705c705
< Atom   637 (   39) :   115    2
> Atom   636 (   39) :   115    2
706c706
< Atom   638 (   39) :   115    2
> Atom   637 (   39) :   115    2
707c707
< Atom   639 (   39) :    39    2
> Atom   638 (   39) :   115    2
708c708
< Atom   640 (   39) :    39    2
> Atom   639 (   39) :    39    2
709c709
< Atom   641 (   39) :    39    2
> Atom   640 (   39) :    39    2
710c710
< Atom   642 (   39) :    39    2
> Atom   641 (   39) :    39    2
711c711
< Atom   643 (   39) :    39    2
> Atom   642 (   39) :    39    2
712c712
< Atom   644 (   39) :    39    2
> Atom   643 (   39) :    39    2
713c713
< Atom   645 (   39) :    39    2
> Atom   644 (   39) :    39    2
714c714
< Atom   646 (   39) :    39    2
> Atom   645 (   39) :    39    2
715c715
< Atom   647 (   39) :    39    2
> Atom   646 (   39) :    39    2
716c716
< Atom   648 (   39) :   115    2
> Atom   647 (   39) :    39    2
717c717
< Atom   649 (   39) :   115    2
> Atom   648 (   39) :   115    2
718c718
< Atom   650 (   40) :   116    2
> Atom   649 (   39) :   115    2
719c719
< Atom   651 (   40) :   116    2
> Atom   650 (   40) :   116    2
720c720
< Atom   652 (   40) :   116    2
> Atom   651 (   40) :   116    2
721c721
< Atom   653 (   40) :   116    2
> Atom   652 (   40) :   116    2
722c722
< Atom   654 (   40) :    40    2
> Atom   653 (   40) :   116    2
723c723
< Atom   655 (   40) :    40    2
> Atom   654 (   40) :    40    2
724c724
< Atom   656 (   40) :    40    2
> Atom   655 (   40) :    40    2
725c725
< Atom   657 (   40) :    40    2
> Atom   656 (   40) :    40    2
726c726
< Atom   658 (   40) :    40    2
> Atom   657 (   40) :    40    2
727c727
< Atom   659 (   40) :   116    2
> Atom   658 (   40) :    40    2
728c728
< Atom   660 (   40) :   116    2
> Atom   659 (   40) :   116    2
729c729
< Atom   661 (   41) :   117    2
> Atom   660 (   40) :   116    2
730c730
< Atom   662 (   41) :   117    2
> Atom   661 (   41) :   117    2
731c731
< Atom   663 (   41) :   117    2
> Atom   662 (   41) :   117    2
732c732
< Atom   664 (   41) :   117    2
> Atom   663 (   41) :   117    2
733c733
< Atom   665 (   41) :    41    2
> Atom   664 (   41) :   117    2
734c734
< Atom   666 (   41) :    41    2
> Atom   665 (   41) :    41    2
735c735
< Atom   667 (   41) :    41    2
> Atom   666 (   41) :    41    2
736c736
< Atom   668 (   41) :    41    2
> Atom   667 (   41) :    41    2
737c737
< Atom   669 (   41) :    41    2
> Atom   668 (   41) :    41    2
738c738
< Atom   670 (   41) :   117    2
> Atom   669 (   41) :    41    2
739c739
< Atom   671 (   41) :   117    2
> Atom   670 (   41) :   117    2
740c740
< Atom   672 (   42) :   118    2
> Atom   671 (   41) :   117    2
741c741
< Atom   673 (   42) :   118    2
> Atom   672 (   42) :   118    2
742c742
< Atom   674 (   42) :   118    2
> Atom   673 (   42) :   118    2
743c743
< Atom   675 (   42) :   118    2
> Atom   674 (   42) :   118    2
744c744
< Atom   676 (   42) :    42    2
> Atom   675 (   42) :   118    2
745c745
< Atom   677 (   42) :    42    2
> Atom   676 (   42) :    42    2
746c746
< Atom   678 (   42) :    42    2
> Atom   677 (   42) :    42    2
747c747
< Atom   679 (   42) :    42    2
> Atom   678 (   42) :    42    2
748c748
< Atom   680 (   42) :   118    2
> Atom   679 (   42) :    42    2
749c749
< Atom   681 (   42) :   118    2
> Atom   680 (   42) :   118    2
750c750
< Atom   682 (   43) :   119    2
> Atom   681 (   42) :   118    2
751c751
< Atom   683 (   43) :   119    2
> Atom   682 (   43) :   119    2
752c752
< Atom   684 (   43) :   119    2
> Atom   683 (   43) :   119    2
753c753
< Atom   685 (   43) :   119    2
> Atom   684 (   43) :   119    2
754c754
< Atom   686 (   43) :    43    2
> Atom   685 (   43) :   119    2
755c755
< Atom   687 (   43) :    43    2
> Atom   686 (   43) :    43    2
756c756
< Atom   688 (   43) :    43    2
> Atom   687 (   43) :    43    2
757c757
< Atom   689 (   43) :    43    2
> Atom   688 (   43) :    43    2
758c758
< Atom   690 (   43) :    43    2
> Atom   689 (   43) :    43    2
759c759
< Atom   691 (   43) :    43    2
> Atom   690 (   43) :    43    2
760c760
< Atom   692 (   43) :    43    2
> Atom   691 (   43) :    43    2
761c761
< Atom   693 (   43) :    43    2
> Atom   692 (   43) :    43    2
762c762
< Atom   694 (   43) :    43    2
> Atom   693 (   43) :    43    2
763c763
< Atom   695 (   43) :    43    2
> Atom   694 (   43) :    43    2
764c764
< Atom   696 (   43) :   119    2
> Atom   695 (   43) :    43    2
765c765
< Atom   697 (   43) :   119    2
> Atom   696 (   43) :   119    2
766c766
< Atom   698 (   44) :   120    2
> Atom   697 (   43) :   119    2
767c767
< Atom   699 (   44) :   120    2
> Atom   698 (   44) :   120    2
768c768
< Atom   700 (   44) :   120    2
> Atom   699 (   44) :   120    2
769c769
< Atom   701 (   44) :   120    2
> Atom   700 (   44) :   120    2
770c770
< Atom   702 (   44) :    44    2
> Atom   701 (   44) :   120    2
771c771
< Atom   703 (   44) :    44    2
> Atom   702 (   44) :    44    2
772c772
< Atom   704 (   44) :    44    2
> Atom   703 (   44) :    44    2
773c773
< Atom   705 (   44) :    44    2
> Atom   704 (   44) :    44    2
774c774
< Atom   706 (   44) :    44    2
> Atom   705 (   44) :    44    2
775c775
< Atom   707 (   44) :    44    2
> Atom   706 (   44) :    44    2
776c776
< Atom   708 (   44) :    44    2
> Atom   707 (   44) :    44    2
777c777
< Atom   709 (   44) :    44    2
> Atom   708 (   44) :    44    2
778c778
< Atom   710 (   44) :    44    2
> Atom   709 (   44) :    44    2
779c779
< Atom   711 (   44) :    44    2
> Atom   710 (   44) :    44    2
780c780
< Atom   712 (   44) :    44    2
> Atom   711 (   44) :    44    2
781c781
< Atom   713 (   44) :    44    2
> Atom   712 (   44) :    44    2
782c782
< Atom   714 (   44) :    44    2
> Atom   713 (   44) :    44    2
783c783
< Atom   715 (   44) :    44    2
> Atom   714 (   44) :    44    2
784c784
< Atom   716 (   44) :   120    2
> Atom   715 (   44) :    44    2
785c785
< Atom   717 (   44) :   120    2
> Atom   716 (   44) :   120    2
786c786
< Atom   718 (   45) :   121    2
> Atom   717 (   44) :   120    2
787c787
< Atom   719 (   45) :   121    2
> Atom   718 (   45) :   121    2
788c788
< Atom   720 (   45) :   121    2
> Atom   719 (   45) :   121    2
789c789
< Atom   721 (   45) :   121    2
> Atom   720 (   45) :   121    2
790c790
< Atom   722 (   45) :    45    2
> Atom   721 (   45) :   121    2
791c791
< Atom   723 (   45) :    45    2
> Atom   722 (   45) :    45    2
792c792
< Atom   724 (   45) :    45    2
> Atom   723 (   45) :    45    2
793c793
< Atom   725 (   45) :    45    2
> Atom   724 (   45) :    45    2
794c794
< Atom   726 (   45) :    45    2
> Atom   725 (   45) :    45    2
795c795
< Atom   727 (   45) :    45    2
> Atom   726 (   45) :    45    2
796c796
< Atom   728 (   45) :    45    2
> Atom   727 (   45) :    45    2
797c797
< Atom   729 (   45) :    45    2
> Atom   728 (   45) :    45    2
798c798
< Atom   730 (   45) :    45    2
> Atom   729 (   45) :    45    2
799c799
< Atom   731 (   45) :    45    2
> Atom   730 (   45) :    45    2
800c800
< Atom   732 (   45) :    45    2
> Atom   731 (   45) :    45    2
801c801
< Atom   733 (   45) :    45    2
> Atom   732 (   45) :    45    2
802c802
< Atom   734 (   45) :    45    2
> Atom   733 (   45) :    45    2
803c803
< Atom   735 (   45) :    45    2
> Atom   734 (   45) :    45    2
804c804
< Atom   736 (   45) :    45    2
> Atom   735 (   45) :    45    2
805c805
< Atom   737 (   45) :    45    2
> Atom   736 (   45) :    45    2
806c806
< Atom   738 (   45) :    45    2
> Atom   737 (   45) :    45    2
807c807
< Atom   739 (   45) :    45    2
> Atom   738 (   45) :    45    2
808c808
< Atom   740 (   45) :   121    2
> Atom   739 (   45) :    45    2
809c809
< Atom   741 (   45) :   121    2
> Atom   740 (   45) :   121    2
810c810
< Atom   742 (   46) :   122    2
> Atom   741 (   45) :   121    2
811c811
< Atom   743 (   46) :   122    2
> Atom   742 (   46) :   122    2
812c812
< Atom   744 (   46) :   122    2
> Atom   743 (   46) :   122    2
813c813
< Atom   745 (   46) :   122    2
> Atom   744 (   46) :   122    2
814c814
< Atom   746 (   46) :    46    2
> Atom   745 (   46) :   122    2
815c815
< Atom   747 (   46) :    46    2
> Atom   746 (   46) :    46    2
816c816
< Atom   748 (   46) :    46    2
> Atom   747 (   46) :    46    2
817c817
< Atom   749 (   46) :    46    2
> Atom   748 (   46) :    46    2
818c818
< Atom   750 (   46) :    46    2
> Atom   749 (   46) :    46    2
819c819
< Atom   751 (   46) :    46    2
> Atom   750 (   46) :    46    2
820c820
< Atom   752 (   46) :    46    2
> Atom   751 (   46) :    46    2
821c821
< Atom   753 (   46) :    46    2
> Atom   752 (   46) :    46    2
822c822
< Atom   754 (   46) :    46    2
> Atom   753 (   46) :    46    2
823c823
< Atom   755 (   46) :    46    2
> Atom   754 (   46) :    46    2
824c824
< Atom   756 (   46) :    46    2
> Atom   755 (   46) :    46    2
825c825
< Atom   757 (   46) :    46    2
> Atom   756 (   46) :    46    2
826c826
< Atom   758 (   46) :    46    2
> Atom   757 (   46) :    46    2
827c827
< Atom   759 (   46) :   122    2
> Atom   758 (   46) :    46    2
828c828
< Atom   760 (   46) :   122    2
> Atom   759 (   46) :   122    2
829c829
< Atom   761 (   47) :   123    2
> Atom   760 (   46) :   122    2
830c830
< Atom   762 (   47) :   123    2
> Atom   761 (   47) :   123    2
831c831
< Atom   763 (   47) :   123    2
> Atom   762 (   47) :   123    2
832c832
< Atom   764 (   47) :   123    2
> Atom   763 (   47) :   123    2
833c833
< Atom   765 (   47) :    47    2
> Atom   764 (   47) :   123    2
834c834
< Atom   766 (   47) :    47    2
> Atom   765 (   47) :    47    2
835c835
< Atom   767 (   47) :    47    2
> Atom   766 (   47) :    47    2
836c836
< Atom   768 (   47) :    47    2
> Atom   767 (   47) :    47    2
837c837
< Atom   769 (   47) :    47    2
> Atom   768 (   47) :    47    2
838c838
< Atom   770 (   47) :    47    2
> Atom   769 (   47) :    47    2
839c839
< Atom   771 (   47) :    47    2
> Atom   770 (   47) :    47    2
840c840
< Atom   772 (   47) :    47    2
> Atom   771 (   47) :    47    2
841c841
< Atom   773 (   47) :    47    2
> Atom   772 (   47) :    47    2
842c842
< Atom   774 (   47) :    47    2
> Atom   773 (   47) :    47    2
843c843
< Atom   775 (   47) :    47    2
> Atom   774 (   47) :    47    2
844c844
< Atom   776 (   47) :    47    2
> Atom   775 (   47) :    47    2
845c845
< Atom   777 (   47) :    47    2
> Atom   776 (   47) :    47    2
846c846
< Atom   778 (   47) :   123    2
> Atom   777 (   47) :    47    2
847c847
< Atom   779 (   47) :   123    2
> Atom   778 (   47) :   123    2
848c848
< Atom   780 (   48) :   124    2
> Atom   779 (   47) :   123    2
849c849
< Atom   781 (   48) :   124    2
> Atom   780 (   48) :   124    2
850c850
< Atom   782 (   48) :   124    2
> Atom   781 (   48) :   124    2
851c851
< Atom   783 (   48) :   124    2
> Atom   782 (   48) :   124    2
852c852
< Atom   784 (   48) :    48    2
> Atom   783 (   48) :   124    2
853c853
< Atom   785 (   48) :    48    2
> Atom   784 (   48) :    48    2
854c854
< Atom   786 (   48) :    48    2
> Atom   785 (   48) :    48    2
855c855
< Atom   787 (   48) :    48    2
> Atom   786 (   48) :    48    2
856c856
< Atom   788 (   48) :    48    2
> Atom   787 (   48) :    48    2
857c857
< Atom   789 (   48) :    48    2
> Atom   788 (   48) :    48    2
858c858
< Atom   790 (   48) :    48    2
> Atom   789 (   48) :    48    2
859c859
< Atom   791 (   48) :    48    2
> Atom   790 (   48) :    48    2
860c860
< Atom   792 (   48) :    48    2
> Atom   791 (   48) :    48    2
861c861
< Atom   793 (   48) :    48    2
> Atom   792 (   48) :    48    2
862c862
< Atom   794 (   48) :    48    2
> Atom   793 (   48) :    48    2
863c863
< Atom   795 (   48) :   124    2
> Atom   794 (   48) :    48    2
864c864
< Atom   796 (   48) :   124    2
> Atom   795 (   48) :   124    2
865c865
< Atom   797 (   49) :   125    2
> Atom   796 (   48) :   124    2
866c866
< Atom   798 (   49) :   125    2
> Atom   797 (   49) :   125    2
867c867
< Atom   799 (   49) :   125    2
> Atom   798 (   49) :   125    2
868c868
< Atom   800 (   49) :   125    2
> Atom   799 (   49) :   125    2
869c869
< Atom   801 (   49) :    49    2
> Atom   800 (   49) :   125    2
870c870
< Atom   802 (   49) :    49    2
> Atom   801 (   49) :    49    2
871c871
< Atom   803 (   49) :    49    2
> Atom   802 (   49) :    49    2
872c872
< Atom   804 (   49) :    49    2
> Atom   803 (   49) :    49    2
873c873
< Atom   805 (   49) :    49    2
> Atom   804 (   49) :    49    2
874c874
< Atom   806 (   49) :    49    2
> Atom   805 (   49) :    49    2
875c875
< Atom   807 (   49) :    49    2
> Atom   806 (   49) :    49    2
876c876
< Atom   808 (   49) :    49    2
> Atom   807 (   49) :    49    2
877c877
< Atom   809 (   49) :    49    2
> Atom   808 (   49) :    49    2
878c878
< Atom   810 (   49) :   125    2
> Atom   809 (   49) :    49    2
879c879
< Atom   811 (   49) :   125    2
> Atom   810 (   49) :   125    2
880c880
< Atom   812 (   50) :   126    2
> Atom   811 (   49) :   125    2
881c881
< Atom   813 (   50) :   126    2
> Atom   812 (   50) :   126    2
882c882
< Atom   814 (   50) :   126    2
> Atom   813 (   50) :   126    2
883c883
< Atom   815 (   50) :   126    2
> Atom   814 (   50) :   126    2
884c884
< Atom   816 (   50) :    50    2
> Atom   815 (   50) :   126    2
885c885
< Atom   817 (   50) :    50    2
> Atom   816 (   50) :    50    2
886c886
< Atom   818 (   50) :    50    2
> Atom   817 (   50) :    50    2
887c887
< Atom   819 (   50) :    50    2
> Atom   818 (   50) :    50    2
888c888
< Atom   820 (   50) :    50    2
> Atom   819 (   50) :    50    2
889c889
< Atom   821 (   50) :    50    2
> Atom   820 (   50) :    50    2
890c890
< Atom   822 (   50) :    50    2
> Atom   821 (   50) :    50    2
891c891
< Atom   823 (   50) :    50    2
> Atom   822 (   50) :    50    2
892c892
< Atom   824 (   50) :    50    2
> Atom   823 (   50) :    50    2
893c893
< Atom   825 (   50) :    50    2
> Atom   824 (   50) :    50    2
894c894
< Atom   826 (   50) :    50    2
> Atom   825 (   50) :    50    2
895c895
< Atom   827 (   50) :    50    2
> Atom   826 (   50) :    50    2
896c896
< Atom   828 (   50) :   126    2
> Atom   827 (   50) :    50    2
897c897
< Atom   829 (   50) :   126    2
> Atom   828 (   50) :   126    2
898c898
< Atom   830 (   51) :   127    2
> Atom   829 (   50) :   126    2
899c899
< Atom   831 (   51) :   127    2
> Atom   830 (   51) :   127    2
900c900
< Atom   832 (   51) :   127    2
> Atom   831 (   51) :   127    2
901c901
< Atom   833 (   51) :   127    2
> Atom   832 (   51) :   127    2
902c902
< Atom   834 (   51) :    51    2
> Atom   833 (   51) :   127    2
903c903
< Atom   835 (   51) :    51    2
> Atom   834 (   51) :    51    2
904c904
< Atom   836 (   51) :    51    2
> Atom   835 (   51) :    51    2
905c905
< Atom   837 (   51) :    51    2
> Atom   836 (   51) :    51    2
906c906
< Atom   838 (   51) :    51    2
> Atom   837 (   51) :    51    2
907c907
< Atom   839 (   51) :    51    2
> Atom   838 (   51) :    51    2
908c908
< Atom   840 (   51) :    51    2
> Atom   839 (   51) :    51    2
909c909
< Atom   841 (   51) :    51    2
> Atom   840 (   51) :    51    2
910c910
< Atom   842 (   51) :    51    2
> Atom   841 (   51) :    51    2
911c911
< Atom   843 (   51) :    51    2
> Atom   842 (   51) :    51    2
912c912
< Atom   844 (   51) :    51    2
> Atom   843 (   51) :    51    2
913c913
< Atom   845 (   51) :    51    2
> Atom   844 (   51) :    51    2
914c914
< Atom   846 (   51) :    51    2
> Atom   845 (   51) :    51    2
915c915
< Atom   847 (   51) :    51    2
> Atom   846 (   51) :    51    2
916c916
< Atom   848 (   51) :    51    2
> Atom   847 (   51) :    51    2
917c917
< Atom   849 (   51) :    51    2
> Atom   848 (   51) :    51    2
918c918
< Atom   850 (   51) :   127    2
> Atom   849 (   51) :    51    2
919c919
< Atom   851 (   51) :   127    2
> Atom   850 (   51) :   127    2
920c920
< Atom   852 (   52) :   128    2
> Atom   851 (   51) :   127    2
921c921
< Atom   853 (   52) :   128    2
> Atom   852 (   52) :   128    2
922c922
< Atom   854 (   52) :   128    2
> Atom   853 (   52) :   128    2
923c923
< Atom   855 (   52) :   128    2
> Atom   854 (   52) :   128    2
924c924
< Atom   856 (   52) :   128    2
> Atom   855 (   52) :   128    2
925c925
< Atom   857 (   52) :   128    2
> Atom   856 (   52) :   128    2
926c926
< Atom   858 (   52) :   128    2
> Atom   857 (   52) :   128    2
927c927
< Atom   859 (   53) :   129    2
> Atom   858 (   52) :   128    2
928c928
< Atom   860 (   53) :   129    2
> Atom   859 (   53) :   129    2
929c929
< Atom   861 (   53) :   129    2
> Atom   860 (   53) :   129    2
930c930
< Atom   862 (   53) :   129    2
> Atom   861 (   53) :   129    2
931c931
< Atom   863 (   53) :    53    2
> Atom   862 (   53) :   129    2
932c932
< Atom   864 (   53) :    53    2
> Atom   863 (   53) :    53    2
933c933
< Atom   865 (   53) :    53    2
> Atom   864 (   53) :    53    2
934c934
< Atom   866 (   53) :    53    2
> Atom   865 (   53) :    53    2
935c935
< Atom   867 (   53) :    53    2
> Atom   866 (   53) :    53    2
936c936
< Atom   868 (   53) :    53    2
> Atom   867 (   53) :    53    2
937c937
< Atom   869 (   53) :    53    2
> Atom   868 (   53) :    53    2
938c938
< Atom   870 (   53) :    53    2
> Atom   869 (   53) :    53    2
939c939
< Atom   871 (   53) :    53    2
> Atom   870 (   53) :    53    2
940c940
< Atom   872 (   53) :    53    2
> Atom   871 (   53) :    53    2
941c941
< Atom   873 (   53) :    53    2
> Atom   872 (   53) :    53    2
942c942
< Atom   874 (   53) :    53    2
> Atom   873 (   53) :    53    2
943c943
< Atom   875 (   53) :    53    2
> Atom   874 (   53) :    53    2
944c944
< Atom   876 (   53) :    53    2
> Atom   875 (   53) :    53    2
945c945
< Atom   877 (   53) :    53    2
> Atom   876 (   53) :    53    2
946c946
< Atom   878 (   53) :    53    2
> Atom   877 (   53) :    53    2
947c947
< Atom   879 (   53) :   129    2
> Atom   878 (   53) :    53    2
948c948
< Atom   880 (   53) :   129    2
> Atom   879 (   53) :   129    2
949c949
< Atom   881 (   54) :   130    2
> Atom   880 (   53) :   129    2
950c950
< Atom   882 (   54) :   130    2
> Atom   881 (   54) :   130    2
951c951
< Atom   883 (   54) :   130    2
> Atom   882 (   54) :   130    2
952c952
< Atom   884 (   54) :   130    2
> Atom   883 (   54) :   130    2
953c953
< Atom   885 (   54) :    54    2
> Atom   884 (   54) :   130    2
954c954
< Atom   886 (   54) :    54    2
> Atom   885 (   54) :    54    2
955c955
< Atom   887 (   54) :    54    2
> Atom   886 (   54) :    54    2
956c956
< Atom   888 (   54) :    54    2
> Atom   887 (   54) :    54    2
957c957
< Atom   889 (   54) :    54    2
> Atom   888 (   54) :    54    2
958c958
< Atom   890 (   54) :    54    2
> Atom   889 (   54) :    54    2
959c959
< Atom   891 (   54) :    54    2
> Atom   890 (   54) :    54    2
960c960
< Atom   892 (   54) :    54    2
> Atom   891 (   54) :    54    2
961c961
< Atom   893 (   54) :    54    2
> Atom   892 (   54) :    54    2
962c962
< Atom   894 (   54) :    54    2
> Atom   893 (   54) :    54    2
963c963
< Atom   895 (   54) :    54    2
> Atom   894 (   54) :    54    2
964c964
< Atom   896 (   54) :    54    2
> Atom   895 (   54) :    54    2
965c965
< Atom   897 (   54) :    54    2
> Atom   896 (   54) :    54    2
966c966
< Atom   898 (   54) :    54    2
> Atom   897 (   54) :    54    2
967c967
< Atom   899 (   54) :    54    2
> Atom   898 (   54) :    54    2
968c968
< Atom   900 (   54) :    54    2
> Atom   899 (   54) :    54    2
969c969
< Atom   901 (   54) :   130    2
> Atom   900 (   54) :    54    2
970c970
< Atom   902 (   54) :   130    2
> Atom   901 (   54) :   130    2
971c971
< Atom   903 (   55) :   131    2
> Atom   902 (   54) :   130    2
972c972
< Atom   904 (   55) :   131    2
> Atom   903 (   55) :   131    2
973c973
< Atom   905 (   55) :   131    2
> Atom   904 (   55) :   131    2
974c974
< Atom   906 (   55) :   131    2
> Atom   905 (   55) :   131    2
975c975
< Atom   907 (   55) :    55    2
> Atom   906 (   55) :   131    2
976c976
< Atom   908 (   55) :    55    2
> Atom   907 (   55) :    55    2
977c977
< Atom   909 (   55) :    55    2
> Atom   908 (   55) :    55    2
978c978
< Atom   910 (   55) :    55    2
> Atom   909 (   55) :    55    2
979c979
< Atom   911 (   55) :   131    2
> Atom   910 (   55) :    55    2
980c980
< Atom   912 (   55) :   131    2
> Atom   911 (   55) :   131    2
981c981
< Atom   913 (   56) :   132    2
> Atom   912 (   55) :   131    2
982c982
< Atom   914 (   56) :   132    2
> Atom   913 (   56) :   132    2
983c983
< Atom   915 (   56) :   132    2
> Atom   914 (   56) :   132    2
984c984
< Atom   916 (   56) :   132    2
> Atom   915 (   56) :   132    2
985c985
< Atom   917 (   56) :    56    2
> Atom   916 (   56) :   132    2
986c986
< Atom   918 (   56) :    56    2
> Atom   917 (   56) :    56    2
987c987
< Atom   919 (   56) :    56    2
> Atom   918 (   56) :    56    2
988c988
< Atom   920 (   56) :    56    2
> Atom   919 (   56) :    56    2
989c989
< Atom   921 (   56) :    56    2
> Atom   920 (   56) :    56    2
990c990
< Atom   922 (   56) :    56    2
> Atom   921 (   56) :    56    2
991c991
< Atom   923 (   56) :    56    2
> Atom   922 (   56) :    56    2
992c992
< Atom   924 (   56) :    56    2
> Atom   923 (   56) :    56    2
993c993
< Atom   925 (   56) :    56    2
> Atom   924 (   56) :    56    2
994c994
< Atom   926 (   56) :    56    2
> Atom   925 (   56) :    56    2
995c995
< Atom   927 (   56) :    56    2
> Atom   926 (   56) :    56    2
996c996
< Atom   928 (   56) :    56    2
> Atom   927 (   56) :    56    2
997c997
< Atom   929 (   56) :    56    2
> Atom   928 (   56) :    56    2
998c998
< Atom   930 (   56) :    56    2
> Atom   929 (   56) :    56    2
999c999
< Atom   931 (   56) :    56    2
> Atom   930 (   56) :    56    2
1000c1000
< Atom   932 (   56) :    56    2
> Atom   931 (   56) :    56    2
1001c1001
< Atom   933 (   56) :    56    2
> Atom   932 (   56) :    56    2
1002c1002
< Atom   934 (   56) :    56    2
> Atom   933 (   56) :    56    2
1003c1003
< Atom   935 (   56) :   132    2
> Atom   934 (   56) :    56    2
1004c1004
< Atom   936 (   56) :   132    2
> Atom   935 (   56) :   132    2
1005c1005
< Atom   937 (   57) :   133    2
> Atom   936 (   56) :   132    2
1006c1006
< Atom   938 (   57) :   133    2
> Atom   937 (   57) :   133    2
1007c1007
< Atom   939 (   57) :   133    2
> Atom   938 (   57) :   133    2
1008c1008
< Atom   940 (   57) :   133    2
> Atom   939 (   57) :   133    2
1009c1009
< Atom   941 (   57) :    57    2
> Atom   940 (   57) :   133    2
1010c1010
< Atom   942 (   57) :    57    2
> Atom   941 (   57) :    57    2
1011c1011
< Atom   943 (   57) :    57    2
> Atom   942 (   57) :    57    2
1012c1012
< Atom   944 (   57) :    57    2
> Atom   943 (   57) :    57    2
1013c1013
< Atom   945 (   57) :    57    2
> Atom   944 (   57) :    57    2
1014c1014
< Atom   946 (   57) :    57    2
> Atom   945 (   57) :    57    2
1015c1015
< Atom   947 (   57) :    57    2
> Atom   946 (   57) :    57    2
1016c1016
< Atom   948 (   57) :    57    2
> Atom   947 (   57) :    57    2
1017c1017
< Atom   949 (   57) :    57    2
> Atom   948 (   57) :    57    2
1018c1018
< Atom   950 (   57) :    57    2
> Atom   949 (   57) :    57    2
1019c1019
< Atom   951 (   57) :    57    2
> Atom   950 (   57) :    57    2
1020c1020
< Atom   952 (   57) :    57    2
> Atom   951 (   57) :    57    2
1021c1021
< Atom   953 (   57) :    57    2
> Atom   952 (   57) :    57    2
1022c1022
< Atom   954 (   57) :   133    2
> Atom   953 (   57) :    57    2
1023c1023
< Atom   955 (   57) :   133    2
> Atom   954 (   57) :   133    2
1024c1024
< Atom   956 (   58) :   134    2
> Atom   955 (   57) :   133    2
1025c1025
< Atom   957 (   58) :   134    2
> Atom   956 (   58) :   134    2
1026c1026
< Atom   958 (   58) :   134    2
> Atom   957 (   58) :   134    2
1027c1027
< Atom   959 (   58) :   134    2
> Atom   958 (   58) :   134    2
1028c1028
< Atom   960 (   58) :    58    2
> Atom   959 (   58) :   134    2
1029c1029
< Atom   961 (   58) :    58    2
> Atom   960 (   58) :    58    2
1030c1030
< Atom   962 (   58) :    58    2
> Atom   961 (   58) :    58    2
1031c1031
< Atom   963 (   58) :    58    2
> Atom   962 (   58) :    58    2
1032c1032
< Atom   964 (   58) :    58    2
> Atom   963 (   58) :    58    2
1033c1033
< Atom   965 (   58) :    58    2
> Atom   964 (   58) :    58    2
1034c1034
< Atom   966 (   58) :   134    2
> Atom   965 (   58) :    58    2
1035c1035
< Atom   967 (   58) :   134    2
> Atom   966 (   58) :   134    2
1036c1036
< Atom   968 (   59) :   135    2
> Atom   967 (   58) :   134    2
1037c1037
< Atom   969 (   59) :   135    2
> Atom   968 (   59) :   135    2
1038c1038
< Atom   970 (   59) :   135    2
> Atom   969 (   59) :   135    2
1039c1039
< Atom   971 (   59) :   135    2
> Atom   970 (   59) :   135    2
1040c1040
< Atom   972 (   59) :    59    2
> Atom   971 (   59) :   135    2
1041c1041
< Atom   973 (   59) :    59    2
> Atom   972 (   59) :    59    2
1042c1042
< Atom   974 (   59) :    59    2
> Atom   973 (   59) :    59    2
1043c1043
< Atom   975 (   59) :    59    2
> Atom   974 (   59) :    59    2
1044c1044
< Atom   976 (   59) :    59    2
> Atom   975 (   59) :    59    2
1045c1045
< Atom   977 (   59) :    59    2
> Atom   976 (   59) :    59    2
1046c1046
< Atom   978 (   59) :    59    2
> Atom   977 (   59) :    59    2
1047c1047
< Atom   979 (   59) :    59    2
> Atom   978 (   59) :    59    2
1048c1048
< Atom   980 (   59) :    59    2
> Atom   979 (   59) :    59    2
1049c1049
< Atom   981 (   59) :    59    2
> Atom   980 (   59) :    59    2
1050c1050
< Atom   982 (   59) :    59    2
> Atom   981 (   59) :    59    2
1051c1051
< Atom   983 (   59) :    59    2
> Atom   982 (   59) :    59    2
1052c1052
< Atom   984 (   59) :    59    2
> Atom   983 (   59) :    59    2
1053c1053
< Atom   985 (   59) :    59    2
> Atom   984 (   59) :    59    2
1054c1054
< Atom   986 (   59) :    59    2
> Atom   985 (   59) :    59    2
1055c1055
< Atom   987 (   59) :    59    2
> Atom   986 (   59) :    59    2
1056c1056
< Atom   988 (   59) :    59    2
> Atom   987 (   59) :    59    2
1057c1057
< Atom   989 (   59) :    59    2
> Atom   988 (   59) :    59    2
1058c1058
< Atom   990 (   59) :   135    2
> Atom   989 (   59) :    59    2
1059c1059
< Atom   991 (   59) :   135    2
> Atom   990 (   59) :   135    2
1060c1060
< Atom   992 (   60) :   136    2
> Atom   991 (   59) :   135    2
1061c1061
< Atom   993 (   60) :   136    2
> Atom   992 (   60) :   136    2
1062c1062
< Atom   994 (   60) :   136    2
> Atom   993 (   60) :   136    2
1063c1063
< Atom   995 (   60) :   136    2
> Atom   994 (   60) :   136    2
1064c1064
< Atom   996 (   60) :    60    2
> Atom   995 (   60) :   136    2
1065c1065
< Atom   997 (   60) :    60    2
> Atom   996 (   60) :    60    2
1066c1066
< Atom   998 (   60) :    60    2
> Atom   997 (   60) :    60    2
1067c1067
< Atom   999 (   60) :    60    2
> Atom   998 (   60) :    60    2
1068c1068
< Atom  1000 (   60) :    60    2
> Atom   999 (   60) :    60    2
1069c1069
< Atom  1001 (   60) :    60    2
> Atom  1000 (   60) :    60    2
1070c1070
< Atom  1002 (   60) :    60    2
> Atom  1001 (   60) :    60    2
1071c1071
< Atom  1003 (   60) :    60    2
> Atom  1002 (   60) :    60    2
1072c1072
< Atom  1004 (   60) :   136    2
> Atom  1003 (   60) :    60    2
1073c1073
< Atom  1005 (   60) :   136    2
> Atom  1004 (   60) :   136    2
1074c1074
< Atom  1006 (   61) :   137    2
> Atom  1005 (   60) :   136    2
1075c1075
< Atom  1007 (   61) :   137    2
> Atom  1006 (   61) :   137    2
1076c1076
< Atom  1008 (   61) :   137    2
> Atom  1007 (   61) :   137    2
1077c1077
< Atom  1009 (   61) :   137    2
> Atom  1008 (   61) :   137    2
1078c1078
< Atom  1010 (   61) :    61    2
> Atom  1009 (   61) :   137    2
1079c1079
< Atom  1011 (   61) :    61    2
> Atom  1010 (   61) :    61    2
1080c1080
< Atom  1012 (   61) :    61    2
> Atom  1011 (   61) :    61    2
1081c1081
< Atom  1013 (   61) :    61    2
> Atom  1012 (   61) :    61    2
1082c1082
< Atom  1014 (   61) :    61    2
> Atom  1013 (   61) :    61    2
1083c1083
< Atom  1015 (   61) :    61    2
> Atom  1014 (   61) :    61    2
1084c1084
< Atom  1016 (   61) :    61    2
> Atom  1015 (   61) :    61    2
1085c1085
< Atom  1017 (   61) :    61    2
> Atom  1016 (   61) :    61    2
1086c1086
< Atom  1018 (   61) :   137    2
> Atom  1017 (   61) :    61    2
1087c1087
< Atom  1019 (   61) :   137    2
> Atom  1018 (   61) :   137    2
1088c1088
< Atom  1020 (   62) :   138    2
> Atom  1019 (   61) :   137    2
1089c1089
< Atom  1021 (   62) :   138    2
> Atom  1020 (   62) :   138    2
1090c1090
< Atom  1022 (   62) :   138    2
> Atom  1021 (   62) :   138    2
1091c1091
< Atom  1023 (   62) :   138    2
> Atom  1022 (   62) :   138    2
1092c1092
< Atom  1024 (   62) :    62    2
> Atom  1023 (   62) :   138    2
1093c1093
< Atom  1025 (   62) :    62    2
> Atom  1024 (   62) :    62    2
1094c1094
< Atom  1026 (   62) :    62    2
> Atom  1025 (   62) :    62    2
1095c1095
< Atom  1027 (   62) :    62    2
> Atom  1026 (   62) :    62    2
1096c1096
< Atom  1028 (   62) :    62    2
> Atom  1027 (   62) :    62    2
1097c1097
< Atom  1029 (   62) :    62    2
> Atom  1028 (   62) :    62    2
1098c1098
< Atom  1030 (   62) :   138    2
> Atom  1029 (   62) :    62    2
1099c1099
< Atom  1031 (   62) :   138    2
> Atom  1030 (   62) :   138    2
1100c1100
< Atom  1032 (   63) :   139    2
> Atom  1031 (   62) :   138    2
1101c1101
< Atom  1033 (   63) :   139    2
> Atom  1032 (   63) :   139    2
1102c1102
< Atom  1034 (   63) :   139    2
> Atom  1033 (   63) :   139    2
1103c1103
< Atom  1035 (   63) :   139    2
> Atom  1034 (   63) :   139    2
1104c1104
< Atom  1036 (   63) :    63    2
> Atom  1035 (   63) :   139    2
1105c1105
< Atom  1037 (   63) :    63    2
> Atom  1036 (   63) :    63    2
1106c1106
< Atom  1038 (   63) :    63    2
> Atom  1037 (   63) :    63    2
1107c1107
< Atom  1039 (   63) :    63    2
> Atom  1038 (   63) :    63    2
1108c1108
< Atom  1040 (   63) :   139    2
> Atom  1039 (   63) :    63    2
1109c1109
< Atom  1041 (   63) :   139    2
> Atom  1040 (   63) :   139    2
1110c1110
< Atom  1042 (   64) :   140    2
> Atom  1041 (   63) :   139    2
1111c1111
< Atom  1043 (   64) :   140    2
> Atom  1042 (   64) :   140    2
1112c1112
< Atom  1044 (   64) :   140    2
> Atom  1043 (   64) :   140    2
1113c1113
< Atom  1045 (   64) :   140    2
> Atom  1044 (   64) :   140    2
1114c1114
< Atom  1046 (   64) :    64    2
> Atom  1045 (   64) :   140    2
1115c1115
< Atom  1047 (   64) :    64    2
> Atom  1046 (   64) :    64    2
1116c1116
< Atom  1048 (   64) :    64    2
> Atom  1047 (   64) :    64    2
1117c1117
< Atom  1049 (   64) :    64    2
> Atom  1048 (   64) :    64    2
1118c1118
< Atom  1050 (   64) :   140    2
> Atom  1049 (   64) :    64    2
1119c1119
< Atom  1051 (   64) :   140    2
> Atom  1050 (   64) :   140    2
1120c1120
< Atom  1052 (   65) :   141    2
> Atom  1051 (   64) :   140    2
1121c1121
< Atom  1053 (   65) :   141    2
> Atom  1052 (   65) :   141    2
1122c1122
< Atom  1054 (   65) :   141    2
> Atom  1053 (   65) :   141    2
1123c1123
< Atom  1055 (   65) :   141    2
> Atom  1054 (   65) :   141    2
1124c1124
< Atom  1056 (   65) :    65    2
> Atom  1055 (   65) :   141    2
1125c1125
< Atom  1057 (   65) :    65    2
> Atom  1056 (   65) :    65    2
1126c1126
< Atom  1058 (   65) :    65    2
> Atom  1057 (   65) :    65    2
1127c1127
< Atom  1059 (   65) :    65    2
> Atom  1058 (   65) :    65    2
1128c1128
< Atom  1060 (   65) :    65    2
> Atom  1059 (   65) :    65    2
1129c1129
< Atom  1061 (   65) :   141    2
> Atom  1060 (   65) :    65    2
1130c1130
< Atom  1062 (   65) :   141    2
> Atom  1061 (   65) :   141    2
1131c1131
< Atom  1063 (   66) :   142    2
> Atom  1062 (   65) :   141    2
1132c1132
< Atom  1064 (   66) :   142    2
> Atom  1063 (   66) :   142    2
1133c1133
< Atom  1065 (   66) :   142    2
> Atom  1064 (   66) :   142    2
1134c1134
< Atom  1066 (   66) :   142    2
> Atom  1065 (   66) :   142    2
1135c1135
< Atom  1067 (   66) :    66    2
> Atom  1066 (   66) :   142    2
1136c1136
< Atom  1068 (   66) :    66    2
> Atom  1067 (   66) :    66    2
1137c1137
< Atom  1069 (   66) :    66    2
> Atom  1068 (   66) :    66    2
1138c1138
< Atom  1070 (   66) :    66    2
> Atom  1069 (   66) :    66    2
1139c1139
< Atom  1071 (   66) :    66    2
> Atom  1070 (   66) :    66    2
1140c1140
< Atom  1072 (   66) :    66    2
> Atom  1071 (   66) :    66    2
1141c1141
< Atom  1073 (   66) :    66    2
> Atom  1072 (   66) :    66    2
1142c1142
< Atom  1074 (   66) :    66    2
> Atom  1073 (   66) :    66    2
1143c1143
< Atom  1075 (   66) :    66    2
> Atom  1074 (   66) :    66    2
1144c1144
< Atom  1076 (   66) :    66    2
> Atom  1075 (   66) :    66    2
1145c1145
< Atom  1077 (   66) :    66    2
> Atom  1076 (   66) :    66    2
1146c1146
< Atom  1078 (   66) :    66    2
> Atom  1077 (   66) :    66    2
1147c1147
< Atom  1079 (   66) :    66    2
> Atom  1078 (   66) :    66    2
1148c1148
< Atom  1080 (   66) :   142    2
> Atom  1079 (   66) :    66    2
1149c1149
< Atom  1081 (   66) :   142    2
> Atom  1080 (   66) :   142    2
1150c1150
< Atom  1082 (   67) :   143    2
> Atom  1081 (   66) :   142    2
1151c1151
< Atom  1083 (   67) :   143    2
> Atom  1082 (   67) :   143    2
1152c1152
< Atom  1084 (   67) :   143    2
> Atom  1083 (   67) :   143    2
1153c1153
< Atom  1085 (   67) :   143    2
> Atom  1084 (   67) :   143    2
1154c1154
< Atom  1086 (   67) :    67    2
> Atom  1085 (   67) :   143    2
1155c1155
< Atom  1087 (   67) :    67    2
> Atom  1086 (   67) :    67    2
1156c1156
< Atom  1088 (   67) :    67    2
> Atom  1087 (   67) :    67    2
1157c1157
< Atom  1089 (   67) :    67    2
> Atom  1088 (   67) :    67    2
1158c1158
< Atom  1090 (   67) :    67    2
> Atom  1089 (   67) :    67    2
1159c1159
< Atom  1091 (   67) :    67    2
> Atom  1090 (   67) :    67    2
1160c1160
< Atom  1092 (   67) :    67    2
> Atom  1091 (   67) :    67    2
1161c1161
< Atom  1093 (   67) :    67    2
> Atom  1092 (   67) :    67    2
1162c1162
< Atom  1094 (   67) :    67    2
> Atom  1093 (   67) :    67    2
1163c1163
< Atom  1095 (   67) :    67    2
> Atom  1094 (   67) :    67    2
1164c1164
< Atom  1096 (   67) :    67    2
> Atom  1095 (   67) :    67    2
1165c1165
< Atom  1097 (   67) :    67    2
> Atom  1096 (   67) :    67    2
1166c1166
< Atom  1098 (   67) :    67    2
> Atom  1097 (   67) :    67    2
1167c1167
< Atom  1099 (   67) :   143    2
> Atom  1098 (   67) :    67    2
1168c1168
< Atom  1100 (   67) :   143    2
> Atom  1099 (   67) :   143    2
1169c1169
< Atom  1101 (   68) :   144    2
> Atom  1100 (   67) :   143    2
1170c1170
< Atom  1102 (   68) :   144    2
> Atom  1101 (   68) :   144    2
1171c1171
< Atom  1103 (   68) :   144    2
> Atom  1102 (   68) :   144    2
1172c1172
< Atom  1104 (   68) :   144    2
> Atom  1103 (   68) :   144    2
1173c1173
< Atom  1105 (   68) :   144    2
> Atom  1104 (   68) :   144    2
1174c1174
< Atom  1106 (   68) :   144    2
> Atom  1105 (   68) :   144    2
1175c1175
< Atom  1107 (   68) :   144    2
> Atom  1106 (   68) :   144    2
1176c1176
< Atom  1108 (   69) :   145    2
> Atom  1107 (   68) :   144    2
1177c1177
< Atom  1109 (   69) :   145    2
> Atom  1108 (   69) :   145    2
1178c1178
< Atom  1110 (   69) :   145    2
> Atom  1109 (   69) :   145    2
1179c1179
< Atom  1111 (   69) :   145    2
> Atom  1110 (   69) :   145    2
1180c1180
< Atom  1112 (   69) :    69    2
> Atom  1111 (   69) :   145    2
1181c1181
< Atom  1113 (   69) :    69    2
> Atom  1112 (   69) :    69    2
1182c1182
< Atom  1114 (   69) :    69    2
> Atom  1113 (   69) :    69    2
1183c1183
< Atom  1115 (   69) :    69    2
> Atom  1114 (   69) :    69    2
1184c1184
< Atom  1116 (   69) :    69    2
> Atom  1115 (   69) :    69    2
1185c1185
< Atom  1117 (   69) :    69    2
> Atom  1116 (   69) :    69    2
1186c1186
< Atom  1118 (   69) :    69    2
> Atom  1117 (   69) :    69    2
1187c1187
< Atom  1119 (   69) :    69    2
> Atom  1118 (   69) :    69    2
1188c1188
< Atom  1120 (   69) :    69    2
> Atom  1119 (   69) :    69    2
1189c1189
< Atom  1121 (   69) :   145    2
> Atom  1120 (   69) :    69    2
1190c1190
< Atom  1122 (   69) :   145    2
> Atom  1121 (   69) :   145    2
1191c1191
< Atom  1123 (   70) :   146    2
> Atom  1122 (   69) :   145    2
1192c1192
< Atom  1124 (   70) :   146    2
> Atom  1123 (   70) :   146    2
1193c1193
< Atom  1125 (   70) :   146    2
> Atom  1124 (   70) :   146    2
1194c1194
< Atom  1126 (   70) :   146    2
> Atom  1125 (   70) :   146    2
1195c1195
< Atom  1127 (   70) :    70    2
> Atom  1126 (   70) :   146    2
1196c1196
< Atom  1128 (   70) :    70    2
> Atom  1127 (   70) :    70    2
1197c1197
< Atom  1129 (   70) :    70    2
> Atom  1128 (   70) :    70    2
1198c1198
< Atom  1130 (   70) :    70    2
> Atom  1129 (   70) :    70    2
1199c1199
< Atom  1131 (   70) :    70    2
> Atom  1130 (   70) :    70    2
1200c1200
< Atom  1132 (   70) :    70    2
> Atom  1131 (   70) :    70    2
1201c1201
< Atom  1133 (   70) :    70    2
> Atom  1132 (   70) :    70    2
1202c1202
< Atom  1134 (   70) :    70    2
> Atom  1133 (   70) :    70    2
1203c1203
< Atom  1135 (   70) :    70    2
> Atom  1134 (   70) :    70    2
1204c1204
< Atom  1136 (   70) :   146    2
> Atom  1135 (   70) :    70    2
1205c1205
< Atom  1137 (   70) :   146    2
> Atom  1136 (   70) :   146    2
1206c1206
< Atom  1138 (   71) :   147    2
> Atom  1137 (   70) :   146    2
1207c1207
< Atom  1139 (   71) :   147    2
> Atom  1138 (   71) :   147    2
1208c1208
< Atom  1140 (   71) :   147    2
> Atom  1139 (   71) :   147    2
1209c1209
< Atom  1141 (   71) :   147    2
> Atom  1140 (   71) :   147    2
1210c1210
< Atom  1142 (   71) :    71    2
> Atom  1141 (   71) :   147    2
1211c1211
< Atom  1143 (   71) :    71    2
> Atom  1142 (   71) :    71    2
1212c1212
< Atom  1144 (   71) :    71    2
> Atom  1143 (   71) :    71    2
1213c1213
< Atom  1145 (   71) :    71    2
> Atom  1144 (   71) :    71    2
1214c1214
< Atom  1146 (   71) :    71    2
> Atom  1145 (   71) :    71    2
1215c1215
< Atom  1147 (   71) :    71    2
> Atom  1146 (   71) :    71    2
1216c1216
< Atom  1148 (   71) :    71    2
> Atom  1147 (   71) :    71    2
1217c1217
< Atom  1149 (   71) :    71    2
> Atom  1148 (   71) :    71    2
1218c1218
< Atom  1150 (   71) :    71    2
> Atom  1149 (   71) :    71    2
1219c1219
< Atom  1151 (   71) :    71    2
> Atom  1150 (   71) :    71    2
1220c1220
< Atom  1152 (   71) :    71    2
> Atom  1151 (   71) :    71    2
1221c1221
< Atom  1153 (   71) :    71    2
> Atom  1152 (   71) :    71    2
1222c1222
< Atom  1154 (   71) :    71    2
> Atom  1153 (   71) :    71    2
1223c1223
< Atom  1155 (   71) :   147    2
> Atom  1154 (   71) :    71    2
1224c1224
< Atom  1156 (   71) :   147    2
> Atom  1155 (   71) :   147    2
1225c1225
< Atom  1157 (   72) :   148    2
> Atom  1156 (   71) :   147    2
1226c1226
< Atom  1158 (   72) :   148    2
> Atom  1157 (   72) :   148    2
1227c1227
< Atom  1159 (   72) :   148    2
> Atom  1158 (   72) :   148    2
1228c1228
< Atom  1160 (   72) :   148    2
> Atom  1159 (   72) :   148    2
1229c1229
< Atom  1161 (   72) :    72    2
> Atom  1160 (   72) :   148    2
1230c1230
< Atom  1162 (   72) :    72    2
> Atom  1161 (   72) :    72    2
1231c1231
< Atom  1163 (   72) :    72    2
> Atom  1162 (   72) :    72    2
1232c1232
< Atom  1164 (   72) :    72    2
> Atom  1163 (   72) :    72    2
1233c1233
< Atom  1165 (   72) :    72    2
> Atom  1164 (   72) :    72    2
1234c1234
< Atom  1166 (   72) :    72    2
> Atom  1165 (   72) :    72    2
1235c1235
< Atom  1167 (   72) :    72    2
> Atom  1166 (   72) :    72    2
1236c1236
< Atom  1168 (   72) :    72    2
> Atom  1167 (   72) :    72    2
1237c1237
< Atom  1169 (   72) :    72    2
> Atom  1168 (   72) :    72    2
1238c1238
< Atom  1170 (   72) :    72    2
> Atom  1169 (   72) :    72    2
1239c1239
< Atom  1171 (   72) :    72    2
> Atom  1170 (   72) :    72    2
1240c1240
< Atom  1172 (   72) :   148    2
> Atom  1171 (   72) :    72    2
1241c1241
< Atom  1173 (   72) :   148    2
> Atom  1172 (   72) :   148    2
1242c1242
< Atom  1174 (   73) :   149    2
> Atom  1173 (   72) :   148    2
1243c1243
< Atom  1175 (   73) :   149    2
> Atom  1174 (   73) :   149    2
1244c1244
< Atom  1176 (   73) :   149    2
> Atom  1175 (   73) :   149    2
1245c1245
< Atom  1177 (   73) :   149    2
> Atom  1176 (   73) :   149    2
1246c1246
< Atom  1178 (   73) :    73    2
> Atom  1177 (   73) :   149    2
1247c1247
< Atom  1179 (   73) :    73    2
> Atom  1178 (   73) :    73    2
1248c1248
< Atom  1180 (   73) :    73    2
> Atom  1179 (   73) :    73    2
1249c1249
< Atom  1181 (   73) :    73    2
> Atom  1180 (   73) :    73    2
1250c1250
< Atom  1182 (   73) :    73    2
> Atom  1181 (   73) :    73    2
1251c1251
< Atom  1183 (   73) :    73    2
> Atom  1182 (   73) :    73    2
1252c1252
< Atom  1184 (   73) :    73    2
> Atom  1183 (   73) :    73    2
1253c1253
< Atom  1185 (   73) :    73    2
> Atom  1184 (   73) :    73    2
1254c1254
< Atom  1186 (   73) :    73    2
> Atom  1185 (   73) :    73    2
1255c1255
< Atom  1187 (   73) :    73    2
> Atom  1186 (   73) :    73    2
1256c1256
< Atom  1188 (   73) :   149    2
> Atom  1187 (   73) :    73    2
1257c1257
< Atom  1189 (   73) :   149    2
> Atom  1188 (   73) :   149    2
1258c1258
< Atom  1190 (   74) :   150    2
> Atom  1189 (   73) :   149    2
1259c1259
< Atom  1191 (   74) :   150    2
> Atom  1190 (   74) :   150    2
1260c1260
< Atom  1192 (   74) :   150    2
> Atom  1191 (   74) :   150    2
1261c1261
< Atom  1193 (   74) :   150    2
> Atom  1192 (   74) :   150    2
1262c1262
< Atom  1194 (   74) :    74    2
> Atom  1193 (   74) :   150    2
1263c1263
< Atom  1195 (   74) :    74    2
> Atom  1194 (   74) :    74    2
1264c1264
< Atom  1196 (   74) :    74    2
> Atom  1195 (   74) :    74    2
1265c1265
< Atom  1197 (   74) :    74    2
> Atom  1196 (   74) :    74    2
1266c1266
< Atom  1198 (   74) :    74    2
> Atom  1197 (   74) :    74    2
1267c1267
< Atom  1199 (   74) :    74    2
> Atom  1198 (   74) :    74    2
1268c1268
< Atom  1200 (   74) :   150    2
> Atom  1199 (   74) :    74    2
1269c1269
< Atom  1201 (   74) :   150    2
> Atom  1200 (   74) :   150    2
1270c1270
< Atom  1202 (   75) :   151    2
> Atom  1201 (   74) :   150    2
1271c1271
< Atom  1203 (   75) :   151    2
> Atom  1202 (   75) :   151    2
1272c1272
< Atom  1204 (   75) :   151    2
> Atom  1203 (   75) :   151    2
1273c1273
< Atom  1205 (   75) :   151    2
> Atom  1204 (   75) :   151    2
1274c1274
< Atom  1206 (   75) :    75    2
> Atom  1205 (   75) :   151    2
1275c1275
< Atom  1207 (   75) :    75    2
> Atom  1206 (   75) :    75    2
1276c1276
< Atom  1208 (   75) :    75    2
> Atom  1207 (   75) :    75    2
1277c1277
< Atom  1209 (   75) :    75    2
> Atom  1208 (   75) :    75    2
1278c1278
< Atom  1210 (   75) :    75    2
> Atom  1209 (   75) :    75    2
1279c1279
< Atom  1211 (   75) :    75    2
> Atom  1210 (   75) :    75    2
1280c1280
< Atom  1212 (   75) :    75    2
> Atom  1211 (   75) :    75    2
1281c1281
< Atom  1213 (   75) :    75    2
> Atom  1212 (   75) :    75    2
1282c1282
< Atom  1214 (   75) :    75    2
> Atom  1213 (   75) :    75    2
1283c1283
< Atom  1215 (   75) :    75    2
> Atom  1214 (   75) :    75    2
1284c1284
< Atom  1216 (   75) :    75    2
> Atom  1215 (   75) :    75    2
1285c1285
< Atom  1217 (   75) :    75    2
> Atom  1216 (   75) :    75    2
1286c1286
< Atom  1218 (   75) :    75    2
> Atom  1217 (   75) :    75    2
1287c1287
< Atom  1219 (   75) :    75    2
> Atom  1218 (   75) :    75    2
1288c1288
< Atom  1220 (   75) :   151    2
> Atom  1219 (   75) :    75    2
1289c1289
< Atom  1221 (   75) :   151    2
> Atom  1220 (   75) :   151    2
1290c1290
< Atom  1222 (   76) :   152    2
> Atom  1221 (   75) :   151    2
1291c1291
< Atom  1223 (   76) :   152    2
> Atom  1222 (   76) :   152    2
1292c1292
< Atom  1224 (   76) :   152    2
> Atom  1223 (   76) :   152    2
1293c1293
< Atom  1225 (   76) :   152    2
> Atom  1224 (   76) :   152    2
1294c1294
< Atom  1226 (   76) :    76    2
> Atom  1225 (   76) :   152    2
1295c1295
< Atom  1227 (   76) :    76    2
> Atom  1226 (   76) :    76    2
1296c1296
< Atom  1228 (   76) :    76    2
> Atom  1227 (   76) :    76    2
1297c1297
< Atom  1229 (   76) :    76    2
> Atom  1228 (   76) :    76    2
1298c1298
< Atom  1230 (   76) :    76    2
> Atom  1229 (   76) :    76    2
1299c1299
< Atom  1231 (   76) :    76    2
> Atom  1230 (   76) :    76    2
1300c1300
< Atom  1232 (   76) :    76    2
> Atom  1231 (   76) :    76    2
1301c1301
< Atom  1233 (   76) :    76    2
> Atom  1232 (   76) :    76    2
1302c1302
< Atom  1234 (   76) :    76    2
> Atom  1233 (   76) :    76    2
1303c1303
< Atom  1235 (   76) :    76    2
> Atom  1234 (   76) :    76    2
1304c1304
< Atom  1236 (   76) :    76    2
> Atom  1235 (   76) :    76    2
1305c1305
< Atom  1237 (   76) :    76    2
> Atom  1236 (   76) :    76    2
1306c1306
< Atom  1238 (   76) :    76    2
> Atom  1237 (   76) :    76    2
1307c1307
< Atom  1239 (   76) :   152    2
> Atom  1238 (   76) :    76    2
1308c1308
< Atom  1240 (   76) :   152    2
> Atom  1239 (   76) :   152    2
1309c1309
< Atom  1241 (   76) :   152    2
> Atom  1240 (   76) :   152    2
1310c1310
< --------------------------------------------------------------------------------
> Atom  1241 (   76) :   152    2
1311c1311
<    3.  ATOMIC COORDINATES AND VELOCITIES
> --------------------------------------------------------------------------------
1312c1312
< --------------------------------------------------------------------------------
>    3.  ATOMIC COORDINATES AND VELOCITIES
1313c1313
< CARNAL dump
> --------------------------------------------------------------------------------
1314c1314
<  begin time read from input coords =     0. ps
> CARNAL dump
1315c1315
<  Number of triangulated 3-point waters found:        0
>  begin time read from input coords =     0. ps
1316c1316
< --------------------------------------------------------------------------------
>  Number of triangulated 3-point waters found:        0
1317c1317
<    4.  RESULTS
> --------------------------------------------------------------------------------
1318c1318
< --------------------------------------------------------------------------------
>    4.  RESULTS
1319c1319
<  Total surface charge      -5.9270
> --------------------------------------------------------------------------------
1320c1320
<  Reaction field energy  -1609.3322
>  Total surface charge      -5.9408
1321c1321
<  Cavity solvation energy     39.1489
>  Reaction field energy  -2007.8474
1322c1322
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>  Cavity solvation energy     38.8528
1323c1323
<       1      -2.6359E+3     1.6488E+1     8.6861E+1     C        1030
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
1324c1324
<  BOND    =      209.7898  ANGLE   =      612.1167  DIHED      =      454.5684
>       1      -3.0347E+3     1.6433E+1     8.6693E+1     C        1030
1325c1325
<  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =    -1609.3322
>  BOND    =      209.7898  ANGLE   =      612.1167  DIHED      =      454.5684
1326c1326
<  1-4 VDW =      257.2640  1-4 EEL =     2584.0343  RESTRAINT  =        0.
>  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =    -2007.8474
1327c1327
<  ECAVITY =       39.1489  EDISPER =        0.
>  1-4 VDW =      257.2640  1-4 EEL =     2584.0343  RESTRAINT  =        0.
1328c1328
<   Maximum number of minimization cycles reached.
>  ECAVITY =       38.8528  EDISPER =        0.
1329c1329
<                     FINAL RESULTS
>   Maximum number of minimization cycles reached.
1330c1330
<    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
>                     FINAL RESULTS
1331c1331
<       1      -2.6360E+3     1.6488E+1     8.6861E+1     C        1030
>    NSTEP       ENERGY          RMS            GMAX         NAME    NUMBER
1332c1332
<  BOND    =      209.7898  ANGLE   =      612.1167  DIHED      =      454.5684
>       1      -3.0347E+3     1.6433E+1     8.6694E+1     C        1030
1333c1333
<  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =    -1609.3794
>  BOND    =      209.7898  ANGLE   =      612.1167  DIHED      =      454.5684
1334c1334
<  1-4 VDW =      257.2640  1-4 EEL =     2584.0343  RESTRAINT  =        0.
>  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =    -2007.8005
1335c1335
<  ECAVITY =       39.1489  EDISPER =        0.
>  1-4 VDW =      257.2640  1-4 EEL =     2584.0343  RESTRAINT  =        0.
1336c1336
<                     CHECK DECOMP - TOTAL ENERGIES (w/ REST)
>  ECAVITY =       38.8528  EDISPER =        0.
1337c1337
<  INTERNAL=     1276.4750
>                     CHECK DECOMP - TOTAL ENERGIES (w/ REST)
1338c1338
<  VDWAALS =     -288.9636  EEL     =    -2053.2489
>  INTERNAL=     1276.4750
1339c1339
<  EGB     =    -1609.3794  ESURF   =        0.
>  VDWAALS =     -288.9636  EEL     =    -2053.2489
1340c1340
<                     CHECK DECOMP - SELF ENERGIES (w/o REST)
>  EGB     =    -2007.8005  ESURF   =        0.
1341c1341
<  INTERNAL=      865.5786
>                     CHECK DECOMP - SELF ENERGIES (w/o REST)
1342c1342
<  VDWAALS =      148.1735  EEL     =       18.6684
>  INTERNAL=      865.5786
1343c1343
<  EGB     =    -1609.3794  ESURF   =        0.
>  VDWAALS =      148.1735  EEL     =       18.6684
1344c1344
<                     CHECK DECOMP - INDIRECT ENERGIES (w/o REST)
>  EGB     =    -2007.8005  ESURF   =        0.
1345c1345
<  INTERNAL=      410.8964
>                     CHECK DECOMP - INDIRECT ENERGIES (w/o REST)
1346c1346
<  VDWAALS =     -437.1371  EEL     =    -2071.9173
>  INTERNAL=      410.8964
1347c1347
<  EGB     =        0.  ESURF   =        0.
>  VDWAALS =     -437.1371  EEL     =    -2071.9173
1348c1348
<                     CHECK DECOMP - DIRECT ENERGIES (w/o REST)
>  EGB     =        0.  ESURF   =        0.
1349c1349
<  INTERNAL=        0.
>                     CHECK DECOMP - DIRECT ENERGIES (w/o REST)
1350c1350
<  VDWAALS =        0.  EEL     =        0.
>  INTERNAL=        0.
1351c1351
<  EGB     =        0.  ESURF   =        0.
>  VDWAALS =        0.  EEL     =        0.
1352c1352
<                     CHECK DECOMP - REST ENERGIES
>  EGB     =        0.  ESURF   =        0.
1353c1353
<  INTERNAL=        0.
>                     CHECK DECOMP - REST ENERGIES
1354c1354
<  VDWAALS =        0.  EEL     =        0.
>  INTERNAL=        0.
1355c1355
<  EGB     =        0.  ESURF   =        0.
>  VDWAALS =        0.  EEL     =        0.
1356c1356
<                     PRINT DECOMP - TOTAL ENERGIES
>  EGB     =        0.  ESURF   =        0.
1357c1357
<     resid |internal |vdw      |eel      |pol      |sas
>                     PRINT DECOMP - TOTAL ENERGIES
1358c1358
< ============================================================
>     resid |internal |vdw      |eel      |pol      |sas
1359c1359
< TDC      1    17.099    -2.135   -42.779  -100.924     0.
> ============================================================
1360c1360
< TDC      2    13.181    -3.428   -25.687    -9.062     0.
> TDC      1    17.099    -2.135   -42.779  -132.809     0.
1361c1361
< TDC      3    17.622    -3.392    -8.954     2.601     0.
> TDC      2    13.181    -3.428   -25.687   -11.370     0.
1362c1362
< TDC      4    25.405    -7.199   -79.362   -99.519     0.
> TDC      3    17.622    -3.392    -8.954     2.424     0.
1363c1363
< TDC      5    16.964    -8.800   -36.332     1.784     0.
> TDC      4    25.405    -7.199   -79.362  -123.185     0.
1364c1364
< TDC      6    13.856    -4.545    -6.321    -3.174     0.
> TDC      5    16.964    -8.800   -36.332     1.892     0.
1365c1365
< TDC      7    18.426    -6.065   -21.852     0.822     0.
> TDC      6    13.856    -4.545    -6.321    -4.530     0.
1366c1366
< TDC      8    20.178    -5.193   -10.727     0.147     0.
> TDC      7    18.426    -6.065   -21.852    -0.551     0.
1367c1367
< TDC      9    20.494    -0.122   -70.754   -19.821     0.
> TDC      8    20.178    -5.193   -10.727    -0.295     0.
1368c1368
< TDC     10    27.061    -1.474    75.111  -101.997     0.
> TDC      9    20.494    -0.122   -70.754   -27.954     0.
1369c1369
< TDC     11    20.121    -4.058   -71.396    -7.332     0.
> TDC     10    27.061    -1.474    75.111  -125.532     0.
1370c1370
< TDC     12    24.295    -4.651   -73.310  -110.648     0.
> TDC     11    20.121    -4.058   -71.396   -12.766     0.
1371c1371
< TDC     13    12.998    -5.044   -34.191    -7.263     0.
> TDC     12    24.295    -4.651   -73.310  -134.359     0.
1372c1372
< TDC     14    13.988    -0.872   -22.856    -2.571     0.
> TDC     13    12.998    -5.044   -34.191    -8.208     0.
1373c1373
< TDC     15    17.223    -5.602   -27.812    -2.411     0.
> TDC     14    13.988    -0.872   -22.856    -4.049     0.
1374c1374
< TDC     16    21.223    -3.245   -81.599   -11.021     0.
> TDC     15    17.223    -5.602   -27.812    -2.669     0.
1375c1375
< TDC     17    12.785    -3.947   -22.603     2.138     0.
> TDC     16    21.223    -3.245   -81.599   -18.009     0.
1376c1376
< TDC     18    23.198    -3.076   -82.237  -105.891     0.
> TDC     17    12.785    -3.947   -22.603     0.984     0.
1377c1377
< TDC     19    16.766     0.621   -87.182   -12.648     0.
> TDC     18    23.198    -3.076   -82.237  -128.514     0.
1378c1378
< TDC     20     6.195     0.016    -4.678    -7.741     0.
> TDC     19    16.766     0.621   -87.182   -20.607     0.
1379c1379
< TDC     21    14.769    -6.106    -6.812    -4.620     0.
> TDC     20     6.195     0.016    -4.678   -10.035     0.
1380c1380
< TDC     22    10.505    -6.264   -19.375     1.527     0.
> TDC     21    14.769    -6.106    -6.812    -6.282     0.
1381c1381
< TDC     23    13.298    -8.668   -29.141     2.423     0.
> TDC     22    10.505    -6.264   -19.375     1.235     0.
1382c1382
< TDC     24    36.167    -8.148    50.586   -53.194     0.
> TDC     23    13.298    -8.668   -29.141     2.512     0.
1383c1383
< TDC     25    13.003    -5.653   -88.357     3.080     0.
> TDC     24    36.167    -8.148    50.586   -73.715     0.
1384c1384
< TDC     26     9.614    -6.621    -4.268     2.080     0.
> TDC     25    13.003    -5.653   -88.357     7.213     0.
1385c1385
< TDC     27    17.587    -5.405   -34.867     1.957     0.
> TDC     26     9.614    -6.621    -4.268    -0.251     0.
1386c1386
< TDC     28    14.179    -2.795    -9.164    -0.617     0.
> TDC     27    17.587    -5.405   -34.867     1.961     0.
1387c1387
< TDC     29    14.736    -1.394    99.092  -123.564     0.
> TDC     28    14.179    -2.795    -9.164    -0.809     0.
1388c1388
< TDC     30    10.193    -2.792    -9.726    -1.115     0.
> TDC     29    14.736    -1.394    99.092  -145.523     0.
1389c1389
< TDC     31    17.088    -5.462   -24.474    -1.672     0.
> TDC     30    10.193    -2.792    -9.726    -1.456     0.
1390c1390
< TDC     32    19.836    -3.534    76.854   -99.043     0.
> TDC     31    17.088    -5.462   -24.474    -2.233     0.
1391c1391
< TDC     33    14.896    -2.845   -20.668    -7.908     0.
> TDC     32    19.836    -3.534    76.854  -120.400     0.
1392c1392
< TDC     34    20.030    -3.916   -86.383  -100.559     0.
> TDC     33    14.896    -2.845   -20.668    -9.961     0.
1393c1393
< TDC     35     5.274     0.382    -8.932    -6.709     0.
> TDC     34    20.030    -3.916   -86.383  -118.808     0.
1394c1394
< TDC     36    15.320    -2.643   -29.172    -0.662     0.
> TDC     35     5.274     0.382    -8.932    -8.842     0.
1395c1395
< TDC     37    20.593    -3.159   -66.404    -7.748     0.
> TDC     36    15.320    -2.643   -29.172    -2.578     0.
1396c1396
< TDC     38    24.429    -4.677    -5.950    -4.092     0.
> TDC     37    20.593    -3.159   -66.404   -13.038     0.
1397c1397
< TDC     39    15.520     0.207   -88.529     3.473     0.
> TDC     38    24.429    -4.677    -5.950    -6.839     0.
1398c1398
< TDC     40     9.290    -2.869     0.149    -5.934     0.
> TDC     39    15.520     0.207   -88.529     5.984     0.
1399c1399
< TDC     41     9.924    -6.975    -2.685    -1.756     0.
> TDC     40     9.290    -2.869     0.149    -7.821     0.
1400c1400
< TDC     42     9.493    -4.609    -2.157    -1.565     0.
> TDC     41     9.924    -6.975    -2.685    -2.774     0.
1401c1401
< TDC     43    11.986    -2.754   -24.849    -0.793     0.
> TDC     42     9.493    -4.609    -2.157    -2.599     0.
1402c1402
< TDC     44    26.344    -5.218    -3.084    -0.299     0.
> TDC     43    11.986    -2.754   -24.849    -1.232     0.
1403c1403
< TDC     45    23.138    -2.267  -142.484   -52.719     0.
> TDC     44    26.344    -5.218    -3.084    -1.012     0.
1404c1404
< TDC     46    17.484    -4.157   -29.311    -3.487     0.
> TDC     45    23.138    -2.267  -142.484   -67.056     0.
1405c1405
< TDC     47    21.657    -4.128   -32.833    -0.415     0.
> TDC     46    17.484    -4.157   -29.311    -4.950     0.
1406c1406
< TDC     48    35.671    -3.640   -17.228    -7.401     0.
> TDC     47    21.657    -4.128   -32.833    -1.959     0.
1407c1407
< TDC     49    13.307    -0.297   -64.494   -17.486     0.
> TDC     48    35.671    -3.640   -17.228   -14.085     0.
1408c1408
< TDC     50    36.584    -3.636    82.690   -82.088     0.
> TDC     49    13.307    -0.297   -64.494   -12.211     0.
1409c1409
< TDC     51    21.466    -0.324    76.204  -102.020     0.
> TDC     50    36.584    -3.636    82.690  -102.535     0.
1410c1410
< TDC     52     7.142    -1.721    -5.027    -5.727     0.
> TDC     51    21.466    -0.324    76.204  -125.519     0.
1411c1411
< TDC     53    22.903    -3.016    84.647  -100.671     0.
> TDC     52     7.142    -1.721    -5.027    -8.713     0.
1412c1412
< TDC     54    22.869    -3.986    50.605   -78.262     0.
> TDC     53    22.903    -3.016    84.647  -124.281     0.
1413c1413
< TDC     55    13.557    -1.926    -3.941    -1.946     0.
> TDC     54    22.869    -3.986    50.605  -100.619     0.
1414c1414
< TDC     56    21.767    -2.972  -117.133   -68.069     0.
> TDC     55    13.557    -1.926    -3.941    -2.969     0.
1415c1415
< TDC     57    20.611    -3.995   -34.880     0.180     0.
> TDC     56    21.767    -2.972  -117.133   -90.264     0.
1416c1416
< TDC     58    10.368    -3.318   -86.349    -1.004     0.
> TDC     57    20.611    -3.995   -34.880    -1.321     0.
1417c1417
< TDC     59    23.385   -10.769    -7.549     0.996     0.
> TDC     58    10.368    -3.318   -86.349     3.031     0.
1418c1418
< TDC     60    16.273    -2.282   -93.392    -5.673     0.
> TDC     59    23.385   -10.769    -7.549     0.857     0.
1419c1419
< TDC     61    12.590    -4.244   -41.025    -1.257     0.
> TDC     60    16.273    -2.282   -93.392   -11.919     0.
1420c1420
< TDC     62    11.835    -3.206   -74.077    -7.470     0.
> TDC     61    12.590    -4.244   -41.025    -2.665     0.
1421c1421
< TDC     63    12.282    -4.063    -7.594     0.977     0.
> TDC     62    11.835    -3.206   -74.077    -4.541     0.
1422c1422
< TDC     64    10.911    -3.169    -5.054    -0.671     0.
> TDC     63    12.282    -4.063    -7.594     0.846     0.
1423c1423
< TDC     65     7.253    -2.033   -13.883    -4.689     0.
> TDC     64    10.911    -3.169    -5.054    -2.283     0.
1424c1424
< TDC     66    17.363    -5.638   -30.883     0.752     0.
> TDC     65     7.253    -2.033   -13.883    -8.446     0.
1425c1425
< TDC     67    19.072    -3.003    -2.924    -9.958     0.
> TDC     66    17.363    -5.638   -30.883     0.719     0.
1426c1426
< TDC     68     6.346    -1.623   -10.262    -4.750     0.
> TDC     67    19.072    -3.003    -2.924   -11.648     0.
1427c1427
< TDC     69    10.394    -2.144   -87.909     4.632     0.
> TDC     68     6.346    -1.623   -10.262    -7.035     0.
1428c1428
< TDC     70    13.937    -6.132   -90.959    13.725     0.
> TDC     69    10.394    -2.144   -87.909     8.536     0.
1429c1429
< TDC     71    15.017    -7.951   -32.620     0.975     0.
> TDC     70    13.937    -6.132   -90.959    18.958     0.
1430c1430
< TDC     72    17.434    -5.633   -77.689    -4.466     0.
> TDC     71    15.017    -7.951   -32.620     0.863     0.
1431c1431
< TDC     73    14.365    -6.920   -29.629     0.653     0.
> TDC     72    17.434    -5.633   -77.689    -8.411     0.
1432c1432
< TDC     74    11.585    -2.873   -80.088    -9.848     0.
> TDC     73    14.365    -6.920   -29.629    -0.738     0.
1433c1433
< TDC     75    18.953    -1.911     5.897    -6.946     0.
> TDC     74    11.585    -2.873   -80.088    -3.888     0.
1434c1434
< TDC     76    15.807    -1.859   -60.236   -53.401     0.
> TDC     75    18.953    -1.911     5.897   -10.472     0.
1435c1435
<                     PRINT DECOMP - SIDECHAIN ENERGIES
> TDC     76    15.807    -1.859   -60.236   -45.671     0.
1436c1436
<     resid |internal |vdw      |eel      |pol      |sas
>                     PRINT DECOMP - SIDECHAIN ENERGIES
1437c1437
< ============================================================
>     resid |internal |vdw      |eel      |pol      |sas
1438c1438
< SDC      1     8.110     0.013   -57.393   -11.207     0.
> ============================================================
1439c1439
< SDC      2     6.080    -2.024   -16.520    -8.124     0.
> SDC      1     8.110     0.013   -57.393   -16.042     0.
1440c1440
< SDC      3     8.388    -2.419     3.029    -5.341     0.
> SDC      2     6.080    -2.024   -16.520    -9.242     0.
1441c1441
< SDC      4    15.948    -4.265   -73.015   -99.690     0.
> SDC      3     8.388    -2.419     3.029    -5.561     0.
1442c1442
< SDC      5     5.967    -5.068    -7.375    -7.385     0.
> SDC      4    15.948    -4.265   -73.015  -122.920     0.
1443c1443
< SDC      6     4.523    -2.141     2.381    -2.356     0.
> SDC      5     5.967    -5.068    -7.375    -7.745     0.
1444c1444
< SDC      7     8.602    -4.388   -16.683    -5.576     0.
> SDC      6     4.523    -2.141     2.381    -3.700     0.
1445c1445
< SDC      8     9.519    -3.223    12.668   -11.297     0.
> SDC      7     8.602    -4.388   -16.683    -5.855     0.
1446c1446
< SDC      9    11.224     0.422   -76.443   -10.152     0.
> SDC      8     9.519    -3.223    12.668   -11.704     0.
1447c1447
< SDC     10    11.599    -0.133    81.266   -97.925     0.
> SDC      9    11.224     0.422   -76.443   -15.461     0.
1448c1448
< SDC     11    14.233    -2.970   -66.339    -6.321     0.
> SDC     10    11.599    -0.133    81.266  -118.831     0.
1449c1449
< SDC     12    15.736    -2.671   -61.798  -113.953     0.
> SDC     11    14.233    -2.970   -66.339   -10.007     0.
1450c1450
< SDC     13     4.858    -3.268   -12.581    -9.119     0.
> SDC     12    15.736    -2.671   -61.798  -136.432     0.
1451c1451
< SDC     14     4.570    -1.356    -5.027    -9.764     0.
> SDC     13     4.858    -3.268   -12.581   -10.371     0.
1452c1452
< SDC     15     4.948    -3.233    -6.717    -8.686     0.
> SDC     14     4.570    -1.356    -5.027    -9.976     0.
1453c1453
< SDC     16    11.909    -1.585   -74.374    -9.112     0.
> SDC     15     4.948    -3.233    -6.717    -8.871     0.
1454c1454
< SDC     17     5.388    -4.052    -8.488    -6.461     0.
> SDC     16    11.909    -1.585   -74.374   -14.368     0.
1455c1455
< SDC     18    15.794    -1.996   -74.492  -104.941     0.
> SDC     17     5.388    -4.052    -8.488    -6.622     0.
1456c1456
< SDC     19     9.760    -0.396   -79.685    -7.220     0.
> SDC     18    15.794    -1.996   -74.492  -125.708     0.
1457c1457
< SDC     20     0.     0.     0.     0.     0.
> SDC     19     9.760    -0.396   -79.685   -12.530     0.
1458c1458
< SDC     21     6.800    -5.173     1.977    -2.701     0.
> SDC     20     0.     0.     0.     0.     0.
1459c1459
< SDC     22     2.282    -2.566    -3.056    -3.111     0.
> SDC     21     6.800    -5.173     1.977    -3.247     0.
1460c1460
< SDC     23     7.383    -5.236   -20.189    -3.193     0.
> SDC     22     2.282    -2.566    -3.056    -3.110     0.
1461c1461
< SDC     24    28.822    -4.839    61.806   -53.806     0.
> SDC     23     7.383    -5.236   -20.189    -3.325     0.
1462c1462
< SDC     25     2.968    -3.000   -63.289    -7.744     0.
> SDC     24    28.822    -4.839    61.806   -73.802     0.
1463c1463
< SDC     26     1.778    -3.355     3.528     1.706     0.
> SDC     25     2.968    -3.000   -63.289    -2.479     0.
1464c1464
< SDC     27     8.145    -4.396   -18.675    -4.755     0.
> SDC     26     1.778    -3.355     3.528     1.390     0.
1465c1465
< SDC     28     7.037    -2.986     3.672    -4.687     0.
> SDC     27     8.145    -4.396   -18.675    -5.020     0.
1466c1466
< SDC     29     7.468    -0.672   109.167  -123.635     0.
> SDC     28     7.037    -2.986     3.672    -5.316     0.
1467c1467
< SDC     30     2.673    -1.601     1.899     0.235     0.
> SDC     29     7.468    -0.672   109.167  -145.119     0.
1468c1468
< SDC     31     9.863    -2.928   -17.683    -4.788     0.
> SDC     30     2.673    -1.601     1.899     0.314     0.
1469c1469
< SDC     32    11.605    -1.433    81.680   -94.804     0.
> SDC     31     9.863    -2.928   -17.683    -5.143     0.
1470c1470
< SDC     33     6.988    -2.039    -6.484    -8.703     0.
> SDC     32    11.605    -1.433    81.680  -114.615     0.
1471c1471
< SDC     34    13.709    -4.403   -80.816   -98.066     0.
> SDC     33     6.988    -2.039    -6.484    -8.959     0.
1472c1472
< SDC     35     0.     0.     0.     0.     0.
> SDC     34    13.709    -4.403   -80.816  -114.049     0.
1473c1473
< SDC     36     7.623    -3.143   -19.266    -4.062     0.
> SDC     35     0.     0.     0.     0.     0.
1474c1474
< SDC     37    11.400    -1.375   -66.468    -7.011     0.
> SDC     36     7.623    -3.143   -19.266    -4.279     0.
1475c1475
< SDC     38     9.777    -1.904    12.807   -11.117     0.
> SDC     37    11.400    -1.375   -66.468   -11.593     0.
1476c1476
< SDC     39     6.816     0.370   -75.597     4.578     0.
> SDC     38     9.777    -1.904    12.807   -12.661     0.
1477c1477
< SDC     40     1.491    -1.348     6.853    -2.174     0.
> SDC     39     6.816     0.370   -75.597     8.695     0.
1478c1478
< SDC     41     2.486    -4.567     5.162     0.161     0.
> SDC     40     1.491    -1.348     6.853    -3.401     0.
1479c1479
< SDC     42     2.058    -1.281     2.215    -0.042     0.
> SDC     41     2.486    -4.567     5.162     0.097     0.
1480c1480
< SDC     43     5.032    -1.692    -9.126    -5.328     0.
> SDC     42     2.058    -1.281     2.215    -0.095     0.
1481c1481
< SDC     44    14.667    -2.065     1.463    -1.184     0.
> SDC     43     5.032    -1.692    -9.126    -5.561     0.
1482c1482
< SDC     45    15.180    -1.864  -130.430   -56.709     0.
> SDC     44    14.667    -2.065     1.463    -1.897     0.
1483c1483
< SDC     46    10.192    -2.380   -19.175    -4.522     0.
> SDC     45    15.180    -1.864  -130.430   -71.583     0.
1484c1484
< SDC     47    10.252    -1.697   -18.236    -5.595     0.
> SDC     46    10.192    -2.380   -19.175    -4.599     0.
1485c1485
< SDC     48    26.965    -2.250    -5.094    -7.144     0.
> SDC     47    10.252    -1.697   -18.236    -5.791     0.
1486c1486
< SDC     49     7.536    -0.494   -54.920   -20.381     0.
> SDC     48    26.965    -2.250    -5.094   -12.030     0.
1487c1487
< SDC     50    29.102    -2.121    79.852   -76.551     0.
> SDC     49     7.536    -0.494   -54.920   -12.256     0.
1488c1488
< SDC     51     9.506    -0.040    84.042  -100.016     0.
> SDC     50    29.102    -2.121    79.852   -96.246     0.
1489c1489
< SDC     52     0.     0.     0.     0.     0.
> SDC     51     9.506    -0.040    84.042  -121.400     0.
1490c1490
< SDC     53    13.119    -1.199    85.381  -100.445     0.
> SDC     52     0.     0.     0.     0.     0.
1491c1491
< SDC     54    11.881    -3.001    61.836   -77.118     0.
> SDC     53    13.119    -1.199    85.381  -122.609     0.
1492c1492
< SDC     55     4.268    -1.180     2.363     0.148     0.
> SDC     54    11.881    -3.001    61.836   -97.262     0.
1493c1493
< SDC     56    14.220    -1.219  -114.723   -64.835     0.
> SDC     55     4.268    -1.180     2.363     0.172     0.
1494c1494
< SDC     57     7.170    -3.372   -18.994    -3.567     0.
> SDC     56    14.220    -1.219  -114.723   -85.071     0.
1495c1495
< SDC     58     1.504    -1.874   -66.214    -5.991     0.
> SDC     57     7.170    -3.372   -18.994    -3.700     0.
1496c1496
< SDC     59    15.575    -7.949     4.886    -0.180     0.
> SDC     58     1.504    -1.874   -66.214    -1.189     0.
1497c1497
< SDC     60    11.004    -1.015   -84.945    -3.001     0.
> SDC     59    15.575    -7.949     4.886    -0.355     0.
1498c1498
< SDC     61     3.947    -2.787   -21.320    -3.087     0.
> SDC     60    11.004    -1.015   -84.945    -7.383     0.
1499c1499
< SDC     62     2.367    -1.284   -60.764   -10.529     0.
> SDC     61     3.947    -2.787   -21.320    -4.716     0.
1500c1500
< SDC     63     1.056    -1.496     2.257    -0.199     0.
> SDC     62     2.367    -1.284   -60.764    -7.087     0.
1501c1501
< SDC     64     2.825    -0.977     2.168     0.019     0.
> SDC     63     1.056    -1.496     2.257    -0.178     0.
1502c1502
< SDC     65     1.728    -0.577    -4.660    -2.341     0.
> SDC     64     2.825    -0.977     2.168     0.051     0.
1503c1503
< SDC     66     9.080    -3.569   -20.466    -2.748     0.
> SDC     65     1.728    -0.577    -4.660    -4.491     0.
1504c1504
< SDC     67    10.253    -1.501     1.605    -3.750     0.
> SDC     66     9.080    -3.569   -20.466    -2.860     0.
1505c1505
< SDC     68     0.     0.     0.     0.     0.
> SDC     67    10.253    -1.501     1.605    -3.865     0.
1506c1506
< SDC     69     4.332    -0.671   -71.880    -1.324     0.
> SDC     68     0.     0.     0.     0.     0.
1507c1507
< SDC     70     5.555    -3.399   -80.436     9.455     0.
> SDC     69     4.332    -0.671   -71.880     3.754     0.
1508c1508
< SDC     71     6.395    -5.478   -18.549    -4.146     0.
> SDC     70     5.555    -3.399   -80.436    15.117     0.
1509c1509
< SDC     72     8.377    -1.890   -67.706    -5.485     0.
> SDC     71     6.395    -5.478   -18.549    -4.329     0.
1510c1510
< SDC     73     3.905    -3.849    -8.470    -5.710     0.
> SDC     72     8.377    -1.890   -67.706    -8.965     0.
1511c1511
< SDC     74     3.862    -0.450   -59.976   -16.928     0.
> SDC     73     3.905    -3.849    -8.470    -5.850     0.
1512c1512
< SDC     75    11.460    -1.116     2.110    -1.547     0.
> SDC     74     3.862    -0.450   -59.976    -9.736     0.
1513c1513
< SDC     76     8.479    -0.257   -26.720    -1.428     0.
> SDC     75    11.460    -1.116     2.110    -3.034     0.
1514c1514
<                     PRINT DECOMP - BACKBONE ENERGIES
> SDC     76     8.479    -0.257   -26.720    -1.583     0.
1515c1515
<     resid |internal |vdw      |eel      |pol      |sas
>                     PRINT DECOMP - BACKBONE ENERGIES
1516c1516
< ============================================================
>     resid |internal |vdw      |eel      |pol      |sas
1517c1517
< BDC      1     8.989    -2.148    14.614   -89.717     0.
> ============================================================
1518c1518
< BDC      2     7.101    -1.404    -9.167    -0.938     0.
> BDC      1     8.989    -2.148    14.614  -116.768     0.
1519c1519
< BDC      3     9.234    -0.973   -11.983     7.942     0.
> BDC      2     7.101    -1.404    -9.167    -2.128     0.
1520c1520
< BDC      4     9.457    -2.934    -6.348     0.172     0.
> BDC      3     9.234    -0.973   -11.983     7.985     0.
1521c1521
< BDC      5    10.998    -3.732   -28.957     9.169     0.
> BDC      4     9.457    -2.934    -6.348    -0.266     0.
1522c1522
< BDC      6     9.334    -2.404    -8.702    -0.818     0.
> BDC      5    10.998    -3.732   -28.957     9.637     0.
1523c1523
< BDC      7     9.824    -1.677    -5.170     6.398     0.
> BDC      6     9.334    -2.404    -8.702    -0.830     0.
1524c1524
< BDC      8    10.659    -1.971   -23.394    11.445     0.
> BDC      7     9.824    -1.677    -5.170     5.304     0.
1525c1525
< BDC      9     9.270    -0.544     5.689    -9.670     0.
> BDC      8    10.659    -1.971   -23.394    11.409     0.
1526c1526
< BDC     10    15.461    -1.341    -6.155    -4.072     0.
> BDC      9     9.270    -0.544     5.689   -12.493     0.
1527c1527
< BDC     11     5.888    -1.088    -5.057    -1.012     0.
> BDC     10    15.461    -1.341    -6.155    -6.701     0.
1528c1528
< BDC     12     8.559    -1.979   -11.513     3.305     0.
> BDC     11     5.888    -1.088    -5.057    -2.759     0.
1529c1529
< BDC     13     8.140    -1.777   -21.610     1.856     0.
> BDC     12     8.559    -1.979   -11.513     2.073     0.
1530c1530
< BDC     14     9.418     0.484   -17.829     7.193     0.
> BDC     13     8.140    -1.777   -21.610     2.164     0.
1531c1531
< BDC     15    12.276    -2.369   -21.095     6.275     0.
> BDC     14     9.418     0.484   -17.829     5.927     0.
1532c1532
< BDC     16     9.314    -1.660    -7.226    -1.910     0.
> BDC     15    12.276    -2.369   -21.095     6.202     0.
1533c1533
< BDC     17     7.397     0.104   -14.114     8.599     0.
> BDC     16     9.314    -1.660    -7.226    -3.641     0.
1534c1534
< BDC     18     7.404    -1.080    -7.745    -0.950     0.
> BDC     17     7.397     0.104   -14.114     7.606     0.
1535c1535
< BDC     19     7.006     1.017    -7.497    -5.428     0.
> BDC     18     7.404    -1.080    -7.745    -2.806     0.
1536c1536
< BDC     20     6.195     0.016    -4.678    -7.741     0.
> BDC     19     7.006     1.017    -7.497    -8.077     0.
1537c1537
< BDC     21     7.969    -0.933    -8.789    -1.920     0.
> BDC     20     6.195     0.016    -4.678   -10.035     0.
1538c1538
< BDC     22     8.223    -3.697   -16.320     4.638     0.
> BDC     21     7.969    -0.933    -8.789    -3.035     0.
1539c1539
< BDC     23     5.915    -3.431    -8.952     5.617     0.
> BDC     22     8.223    -3.697   -16.320     4.346     0.
1540c1540
< BDC     24     7.344    -3.308   -11.220     0.612     0.
> BDC     23     5.915    -3.431    -8.952     5.838     0.
1541c1541
< BDC     25    10.035    -2.653   -25.068    10.824     0.
> BDC     24     7.344    -3.308   -11.220     0.087     0.
1542c1542
< BDC     26     7.836    -3.266    -7.795     0.374     0.
> BDC     25    10.035    -2.653   -25.068     9.692     0.
1543c1543
< BDC     27     9.442    -1.009   -16.192     6.712     0.
> BDC     26     7.836    -3.266    -7.795    -1.641     0.
1544c1544
< BDC     28     7.142     0.191   -12.836     4.069     0.
> BDC     27     9.442    -1.009   -16.192     6.980     0.
1545c1545
< BDC     29     7.268    -0.722   -10.075     0.071     0.
> BDC     28     7.142     0.191   -12.836     4.507     0.
1546c1546
< BDC     30     7.520    -1.191   -11.624    -1.349     0.
> BDC     29     7.268    -0.722   -10.075    -0.404     0.
1547c1547
< BDC     31     7.225    -2.534    -6.791     3.116     0.
> BDC     30     7.520    -1.191   -11.624    -1.770     0.
1548c1548
< BDC     32     8.231    -2.101    -4.826    -4.239     0.
> BDC     31     7.225    -2.534    -6.791     2.911     0.
1549c1549
< BDC     33     7.908    -0.807   -14.184     0.795     0.
> BDC     32     8.231    -2.101    -4.826    -5.786     0.
1550c1550
< BDC     34     6.322     0.487    -5.566    -2.492     0.
> BDC     33     7.908    -0.807   -14.184    -1.003     0.
1551c1551
< BDC     35     5.274     0.382    -8.932    -6.709     0.
> BDC     34     6.322     0.487    -5.566    -4.760     0.
1552c1552
< BDC     36     7.697     0.500    -9.906     3.400     0.
> BDC     35     5.274     0.382    -8.932    -8.842     0.
1553c1553
< BDC     37     9.192    -1.784     0.063    -0.737     0.
> BDC     36     7.697     0.500    -9.906     1.700     0.
1554c1554
< BDC     38    14.652    -2.773   -18.757     7.025     0.
> BDC     37     9.192    -1.784     0.063    -1.445     0.
1555c1555
< BDC     39     8.704    -0.164   -12.932    -1.104     0.
> BDC     38    14.652    -2.773   -18.757     5.822     0.
1556c1556
< BDC     40     7.798    -1.521    -6.704    -3.759     0.
> BDC     39     8.704    -0.164   -12.932    -2.711     0.
1557c1557
< BDC     41     7.438    -2.408    -7.847    -1.917     0.
> BDC     40     7.798    -1.521    -6.704    -4.420     0.
1558c1558
< BDC     42     7.435    -3.328    -4.373    -1.523     0.
> BDC     41     7.438    -2.408    -7.847    -2.870     0.
1559c1559
< BDC     43     6.954    -1.062   -15.724     4.535     0.
> BDC     42     7.435    -3.328    -4.373    -2.503     0.
1560c1560
< BDC     44    11.677    -3.153    -4.547     0.885     0.
> BDC     43     6.954    -1.062   -15.724     4.330     0.
1561c1561
< BDC     45     7.957    -0.403   -12.054     3.991     0.
> BDC     44    11.677    -3.153    -4.547     0.885     0.
1562c1562
< BDC     46     7.292    -1.777   -10.137     1.035     0.
> BDC     45     7.957    -0.403   -12.054     4.527     0.
1563c1563
< BDC     47    11.405    -2.431   -14.597     5.180     0.
> BDC     46     7.292    -1.777   -10.137    -0.351     0.
1564c1564
< BDC     48     8.706    -1.390   -12.134    -0.257     0.
> BDC     47    11.405    -2.431   -14.597     3.832     0.
1565c1565
< BDC     49     5.771     0.197    -9.574     2.894     0.
> BDC     48     8.706    -1.390   -12.134    -2.055     0.
1566c1566
< BDC     50     7.482    -1.515     2.838    -5.536     0.
> BDC     49     5.771     0.197    -9.574     0.045     0.
1567c1567
< BDC     51    11.960    -0.284    -7.838    -2.004     0.
> BDC     50     7.482    -1.515     2.838    -6.289     0.
1568c1568
< BDC     52     7.142    -1.721    -5.027    -5.727     0.
> BDC     51    11.960    -0.284    -7.838    -4.119     0.
1569c1569
< BDC     53     9.784    -1.817    -0.734    -0.226     0.
> BDC     52     7.142    -1.721    -5.027    -8.713     0.
1570c1570
< BDC     54    10.987    -0.986   -11.231    -1.144     0.
> BDC     53     9.784    -1.817    -0.734    -1.673     0.
1571c1571
< BDC     55     9.289    -0.746    -6.304    -2.094     0.
> BDC     54    10.987    -0.986   -11.231    -3.356     0.
1572c1572
< BDC     56     7.547    -1.753    -2.411    -3.234     0.
> BDC     55     9.289    -0.746    -6.304    -3.141     0.
1573c1573
< BDC     57    13.440    -0.623   -15.885     3.747     0.
> BDC     56     7.547    -1.753    -2.411    -5.193     0.
1574c1574
< BDC     58     8.863    -1.444   -20.135     4.987     0.
> BDC     57    13.440    -0.623   -15.885     2.378     0.
1575c1575
< BDC     59     7.811    -2.820   -12.436     1.177     0.
> BDC     58     8.863    -1.444   -20.135     4.221     0.
1576c1576
< BDC     60     5.269    -1.267    -8.446    -2.673     0.
> BDC     59     7.811    -2.820   -12.436     1.212     0.
1577c1577
< BDC     61     8.643    -1.456   -19.705     1.830     0.
> BDC     60     5.269    -1.267    -8.446    -4.536     0.
1578c1578
< BDC     62     9.469    -1.922   -13.313     3.059     0.
> BDC     61     8.643    -1.456   -19.705     2.051     0.
1579c1579
< BDC     63    11.226    -2.568    -9.851     1.175     0.
> BDC     62     9.469    -1.922   -13.313     2.545     0.
1580c1580
< BDC     64     8.086    -2.191    -7.222    -0.689     0.
> BDC     63    11.226    -2.568    -9.851     1.024     0.
1581c1581
< BDC     65     5.524    -1.456    -9.222    -2.349     0.
> BDC     64     8.086    -2.191    -7.222    -2.334     0.
1582c1582
< BDC     66     8.283    -2.068   -10.417     3.501     0.
> BDC     65     5.524    -1.456    -9.222    -3.955     0.
1583c1583
< BDC     67     8.819    -1.502    -4.529    -6.208     0.
> BDC     66     8.283    -2.068   -10.417     3.578     0.
1584c1584
< BDC     68     6.346    -1.623   -10.262    -4.750     0.
> BDC     67     8.819    -1.502    -4.529    -7.784     0.
1585c1585
< BDC     69     6.062    -1.472   -16.030     5.957     0.
> BDC     68     6.346    -1.623   -10.262    -7.035     0.
1586c1586
< BDC     70     8.382    -2.732   -10.523     4.269     0.
> BDC     69     6.062    -1.472   -16.030     4.782     0.
1587c1587
< BDC     71     8.622    -2.474   -14.070     5.121     0.
> BDC     70     8.382    -2.732   -10.523     3.841     0.
1588c1588
< BDC     72     9.057    -3.743    -9.983     1.019     0.
> BDC     71     8.622    -2.474   -14.070     5.193     0.
1589c1589
< BDC     73    10.460    -3.071   -21.159     6.363     0.
> BDC     72     9.057    -3.743    -9.983     0.554     0.
1590c1590
< BDC     74     7.723    -2.423   -20.112     7.080     0.
> BDC     73    10.460    -3.071   -21.159     5.112     0.
1591c1591
< BDC     75     7.492    -0.795     3.788    -5.399     0.
> BDC     74     7.723    -2.423   -20.112     5.848     0.
1592c1592
< BDC     76     7.328    -1.602   -33.516   -51.973     0.
> BDC     75     7.492    -0.795     3.788    -7.438     0.
1593c1593
< --------------------------------------------------------------------------------
> BDC     76     7.328    -1.602   -33.516   -44.087     0.
1594c1594
<    5.  TIMINGS
> --------------------------------------------------------------------------------
1595c1595
< --------------------------------------------------------------------------------
>    5.  TIMINGS
### Maximum absolute error in matching lines = 1.00e+00 at line 70 field 2
### Maximum relative error in matching lines = 1.00e+00 at line 70 field 2
---------------------------------------
possible FAILURE:  check mdout.pbsa_decpw.dif
/home/drpunit/amber12/test/sander_pbsa_decpw
1320c1320
<  Reaction field energy    -29.0893
>  Reaction field energy    -29.0880
1323c1323
<  Total surface charge       0.
>  Total surface charge      -0.0001
1324c1324
<  Reaction field energy    -15.0773
>  Reaction field energy    -15.0784
1326c1326
<  Reaction field energy    -82.6506
>  Reaction field energy    -82.6525
1327c1327
<  Total surface charge      -0.0001
>  Total surface charge       0.0001
1328c1328
<  Reaction field energy     -5.4835
>  Reaction field energy     -5.4815
1330c1330
<  Reaction field energy     -5.0279
>  Reaction field energy     -5.0264
1335c1335
<  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =       -5.0279
>  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =       -5.0264
1343c1343
<  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =       -5.0278
>  VDWAALS =     -546.2276  EEL     =    -4637.2832  EPB        =       -5.0264
1357c1357
<  EGB     =      -25.0432  ESURF   =        0.
>  EGB     =      -25.0391  ESURF   =        0.
1384c1384
< TDC      11->     12     0.    -0.602    -3.810    -0.063     0.
> TDC      11->     12     0.    -0.602    -3.810    -0.064     0.
1389c1389
< TDC      12->     11     0.    -0.602    -3.810    -0.063     0.
> TDC      12->     11     0.    -0.602    -3.810    -0.064     0.
1391c1391
< TDC      12->     13     0.    -0.875   -16.960     0.225     0.
> TDC      12->     13     0.    -0.875   -16.960     0.226     0.
1392c1392
< TDC      12->     14     0.    -0.291    -0.395     0.210     0.
> TDC      12->     14     0.    -0.291    -0.395     0.211     0.
1396c1396
< TDC      13->     12     0.    -0.875   -16.960     0.225     0.
> TDC      13->     12     0.    -0.875   -16.960     0.226     0.
1402c1402
< TDC      14->     12     0.    -0.291    -0.395     0.210     0.
> TDC      14->     12     0.    -0.291    -0.395     0.211     0.
1462c1462
< BDC      11->     12     0.    -0.383    -4.533    -0.063     0.
> BDC      11->     12     0.    -0.383    -4.533    -0.064     0.
1467c1467
< BDC      12->     11     0.    -0.164    -4.141    -0.063     0.
> BDC      12->     11     0.    -0.164    -4.141    -0.064     0.
1469c1469
< BDC      12->     13     0.    -0.438   -16.180     0.225     0.
> BDC      12->     13     0.    -0.438   -16.180     0.226     0.
1470c1470
< BDC      12->     14     0.    -0.114    -0.159     0.210     0.
> BDC      12->     14     0.    -0.114    -0.159     0.211     0.
1474c1474
< BDC      13->     12     0.    -0.405   -16.460     0.225     0.
> BDC      13->     12     0.    -0.405   -16.460     0.226     0.
1480c1480
< BDC      14->     12     0.    -0.160    -2.615     0.210     0.
> BDC      14->     12     0.    -0.160    -2.615     0.211     0.
### Maximum absolute error in matching lines = 4.10e-03 at line 1357 field 3
### Maximum relative error in matching lines = 2.00e+00 at line 1327 field 4
---------------------------------------
possible FAILURE:  check mdout.lig.min.dif
/home/drpunit/amber12/test/sander_pbsa_ligand
6665c6665
<    Iterations required        :    10
>    Iterations required        :    14
6666c6666
<    Norm of the constant vector:     10365.9277969011
>    Norm of the constant vector:      7169.4184038298
6667c6667
<    Norm of the residual vector:      8.2303210810024
>    Norm of the residual vector:      6.4260353812938
6668c6668
<    Convergence achieved       :  7.9397823738101738E-4
>    Convergence achieved       :  8.9631194879924100E-4
6705c6705
<    Iterations required        :    26
>    Iterations required        :    40
6706c6706
<    Norm of the constant vector:   3409507.6068972503
>    Norm of the constant vector:   1998753.7279856044
6707c6707
<    Norm of the residual vector:   2550.2252982916943
>    Norm of the residual vector:   1663.3126927890462
6712c6712
<       1      -4.3180E+1     2.2301E+1     7.3100E+2     HG13      791
>       1      -4.3165E+1     2.2301E+1     7.3100E+2     HG13      791
6714c6714
<  VDWAALS =     -945.3394  EEL     =   -11517.9862  EPB        =        0.
>  VDWAALS =     -945.3394  EEL     =   -11517.9716  EPB        =        0.
6717c6717
< minimization completed, ENE=-0.43179697E+2 RMS= 0.223012E+2
> minimization completed, ENE=-0.43165025E+2 RMS= 0.223012E+2
6722c6722
<       1       9.1100E+2     1.3574E+2     6.5719E+3     H43      3216
>       1       9.1085E+2     1.3574E+2     6.5719E+3     H43      3216
6724c6724
<  VDWAALS =       23.1255  EEL     =   -11536.8775  EPB        =        0.
>  VDWAALS =       23.1255  EEL     =   -11537.0261  EPB        =        0.
6727c6727
< minimization completed, ENE= 0.91100252E+3 RMS= 0.135738E+3
> minimization completed, ENE= 0.91085394E+3 RMS= 0.135738E+3
6732c6732
<       1       7.1296E+3     7.6257E+2     3.3702E+4     HG12      790
>       1       7.1291E+3     7.6257E+2     3.3702E+4     HG12      790
6734c6734
<  VDWAALS =     6224.6899  EEL     =   -11514.5495  EPB        =        0.
>  VDWAALS =     6224.6899  EEL     =   -11515.0116  EPB        =        0.
6737c6737
< minimization completed, ENE= 0.71296019E+4 RMS= 0.762567E+3
> minimization completed, ENE= 0.71291398E+4 RMS= 0.762567E+3
### Maximum absolute error in matching lines = 1.41e+06 at line 6706 field 6
### Maximum relative error in matching lines = 7.06e-01 at line 6706 field 6
---------------------------------------
possible FAILURE:  check minout.dif
/home/drpunit/amber12/test/sander_pbsa_imin5
59c59
<  Total surface charge      -0.0005
>  Total surface charge       0.0001
60c60
<  Reaction field energy   -315.5662
>  Reaction field energy   -315.5725
68c68
<  VDWAALS =      -67.6531  EEL     =    -3434.6725  EPB        =     -315.5698
>  VDWAALS =      -67.6531  EEL     =    -3434.6725  EPB        =     -315.5735
71c71
< minimization completed, ENE= 0.14774621E+4 RMS= 0.325624E+2
> minimization completed, ENE= 0.14774583E+4 RMS= 0.325624E+2
78c78
<  VDWAALS =      -60.6740  EEL     =    -3461.4585  EPB        =     -289.4218
>  VDWAALS =      -60.6740  EEL     =    -3461.4585  EPB        =     -289.4164
81c81
< minimization completed, ENE= 0.15468357E+4 RMS= 0.314862E+2
> minimization completed, ENE= 0.15468411E+4 RMS= 0.314862E+2
88c88
<  VDWAALS =      -74.2786  EEL     =    -3480.5944  EPB        =     -274.3244
>  VDWAALS =      -74.2786  EEL     =    -3480.5944  EPB        =     -274.3279
91c91
< minimization completed, ENE= 0.15123451E+4 RMS= 0.307657E+2
> minimization completed, ENE= 0.15123415E+4 RMS= 0.307657E+2
### Maximum absolute error in matching lines = 6.30e-03 at line 60 field 4
### Maximum relative error in matching lines = 6.00e+00 at line 59 field 4
---------------------------------------
possible FAILURE:  check crambin_md_qmgb2_aq2.out.dif
/home/drpunit/amber12/test/qmmm2/crambin_2
231c231
<  Etot   =     -1567.735  EKtot   =        97.160  EPtot      =     -1664.896
---
>  Etot   =     -1567.735  EKtot   =        97.160  EPtot      =     -1664.895
---------------------------------------
