* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    151    252     454
    1     0 S   NP   _N1_     1    28.72151    96.38476   -23.82186
    2     1 S   H    _HN1     2     1.02948    74.14695    12.53640
    3     1 S   H    _H1_     3     1.02828    35.33009   170.81151
    4     1 S   H    _H2_     4     1.02788   107.12575   -92.24208
    5     1 S   CT   _CA1     5     1.50111   135.79967   115.72275
    6     5 S   HC   _HA1     6     1.09573   105.19538    89.74444
    7     5 S   CO3  _C1_     7     1.53786   112.43365   -30.49949
    8     7 S   O2Z  _O11     8     1.26373   115.01094   -43.44154
    9     7 S   O2Z  _O12     9     1.26238   114.94273   135.65741
   10     5 S   CT   _CB1    10     1.53071   107.41742  -152.28436
   11    10 S   HC   HB11    11     1.09834   109.37834   -49.70681
   12    10 S   HC   HB12    12     1.09812   110.45691    66.90320
   13    10 S   CT   _CG1    13     1.52992   112.59483  -170.66895
   14    13 S   HC   HG11    14     1.09581   110.64522   -65.60630
   15    13 S   HC   HG12    15     1.09670   109.77518    53.62687
   16    13 S   C    _CD1    16     1.51800   112.18097   174.09256
   17    16 S   O    _OE1    17     1.22738   123.24675     7.58809
   18    16 S   N    _N2_    18     1.38635   111.68084  -172.46193
   19    18 S   H    _HN2    19     1.01569   119.03093     1.52251
   20    18 S   CT1  _CA2    20     1.46282   123.46556   177.72290
   21    20 S   HC   _HA2    21     1.09747   109.27655     4.88656
   22    20 S   C    _C2_    22     1.53675   108.76386  -110.51011
   23    22 S   O    _O2_    23     1.23064   122.37003  -149.61871
   24    20 S   CT   _CB2    32     1.53586   111.63319   126.75895
   25    24 S   HC   HB21    33     1.09504   109.29964    55.85105
   26    24 S   HC   HB22    34     1.09237   109.42556   174.36118
   27    22 S   N    _N3_    24     1.38365   113.79609    37.93273
   28    27 S   H    _HN3    25     1.01555   119.57570    -3.30529
   29    24 S   S    _SG2    35     1.83183   110.77329   -63.65780
   30    27 S   CT   _CA3    26     1.45272   123.21666   177.13338
   31    30 S   HC   HA31    27     1.09549   107.50965   -64.75621
   32    30 S   HC   HA32    28     1.09557   107.98909    51.68229
   33    29 S   CT   _C12    36     1.88439   104.08550  -154.53748
   34    30 S   CO3  _C3_    29     1.52955   114.09314   173.69628
   35    34 S   O2Z  _O31    30     1.26377   116.10213    -0.19383
   36    34 S   O2Z  _O32    31     1.26434   114.40628   179.86294
   37    33 S   CO4  _C13    37     1.54482   109.93432    56.10502
   38    37 S   O    _O34    38     1.22870   124.03819    18.27992
   39    33 S   CT   _C11    51     1.57208   112.27121   -67.22505
   40    39 S   OM   _O35    52     1.32445   113.95854    64.90958
   41    39 S   HC   _H3_    53     1.09581   107.21690   -68.37361
   42    33 S   CT   _C14    54     1.60832   106.78670   170.82641
   43    42 S   HC   _H8_    55     1.09893   107.22854  -177.74510
   44    37 S   CA   _C7_    39     1.48776   117.02167  -166.33927
   45    42 S   CT   _C15    56     1.54946   114.75061    65.12957
   46    45 S   HC   _H9_    57     1.09332   110.97041    57.03683
   47    45 S   HC   _H10    58     1.09556   110.69132   -61.71568
   48    44 S   CA   _C6_    40     1.40057   119.19938  -165.99479
   49    48 S   HA   _H6_    41     1.08703   121.12575    -1.66554
   50    45 S   CT   _C16    59     1.53107   112.37751   176.71372
   51    50 S   HC   _H11    60     1.09735   109.11690   177.61616
   52    50 S   HC   _H12    61     1.09751   108.68831   -66.75025
   53    48 S   CA   _C5_    42     1.39547   120.10486   177.66745
   54    53 S   HA   _H5_    43     1.08642   119.92188  -179.83449
   55    50 S   CT   _C17    62     1.53369   111.75668    55.76609
   56    55 S   HC   _H13    63     1.09948   107.18097    60.80829
   57    53 S   CA   _C4_    44     1.39351   120.12092    -0.07402
   58    57 S   HA   _H4_    45     1.08637   119.97838  -179.96574
   59    55 S   CA   _C20    64     1.51824   111.90298   179.03490
   60    55 S   CT   _C18    75     1.53375   110.38979   -55.63478
   61    60 S   HC   _H14    76     1.09738   110.86143   -65.35473
   62    60 S   HC   _H15    77     1.09730   110.00270   177.16959
   63    57 S   CA   _C9_    46     1.39489   120.08152     0.35332
   64    63 S   HA   _H7_    47     1.08693   118.93520   179.21991
   65    59 S   CA   _C21    65     1.40381   119.70772  -117.66465
   66    65 S   HA   _H18    66     1.08761   120.39829     0.00000
   67    42 S   CT   _C19    78     1.55359   113.95389   -61.87022
   68    67 S   HC   _H16    79     1.09549   110.86018    62.99354
   69    67 S   HC   _H17    80     1.09470   110.67690   -55.58074
   70    44 S   CA   _C8_    48     1.39919   121.09458    12.15748
   71    65 S   CA   _C22    67     1.39663   120.81613   180.00000
   72    71 S   HA   _H19    68     1.08668   119.37733   180.00000
   73    70 S   CO4  _C10    49     1.48947   120.84385     3.97995
   74    73 S   O    _O33    50     1.22991   119.80317  -169.02488
   75    71 S   CA   _C23    69     1.39292   119.72239    -0.00000
   76    75 S   Cl   Cl1_    70     1.72171   119.80846  -180.00000
   77    75 S   CA   _C24    71     1.39295   120.38470    -0.00000
   78    77 S   HA   _H20    72     1.08670   120.89325  -180.00000
   79    59 S   CA   _C25    73     1.40388   121.75118    62.33070
   80    79 S   HA   _H21    74     1.08724   120.50335    -0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  20   2   1   1  15   5  11   5   4  16   8  10  12   6   5   8
   4  11   5   4   6   3  14   7   5   3  13   7   4   3   4   2
   8   4   2   1   1   2   6   3   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    73    39    40    41    42    43    45    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    70    73    74    39    40    41    42    43    45    46    47    50    60    67    68    69  
   35    36  
   36  
    0  
   38    44    48    49    53    63    70    73    39    40    41    42    43    45    67  
   44    48    70    39    42  
   40    41    42    43    45    67    44    63    70    73    74  
   41    42    70    73    74  
   42    70    73    74  
   43    45    46    47    50    51    52    55    60    61    62    67    68    69    44    73  
   45    46    47    50    60    67    68    69  
   48    49    53    54    57    63    64    70    73    74  
   46    47    50    51    52    55    56    59    60    67    68    69  
   47    50    51    52    55    67  
   50    51    52    55    67  
   49    53    54    57    58    63    70    73  
   53    54    57    70  
   51    52    55    56    59    65    79    60    61    62    67  
   52    55    56    59    60  
   55    56    59    60  
   54    57    58    63    64    70  
   57    58    63  
   56    59    65    66    71    77    79    80    60    61    62    67    68    69  
   59    65    79    60    61    62    67  
   58    63    64    70    73  
   63    64    70  
   65    66    71    72    75    77    78    79    80    60    61    62    67  
   61    62    67    68    69    65    79  
   62    67    68    69  
   67    68    69  
   64    70    73    74  
   70    73  
   66    71    72    75    76    77    79    80  
   71    72    75    79  
   68    69  
   69  
    0  
   73    74  
   72    75    76    77    78    79  
   75    76    77  
   74  
    0  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    48   469.000  1.400
   44    70   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    73   310.000  1.470
   73    74   570.000  1.229
   73    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    67   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   317.000  1.510
   55    60   268.000  1.529
   59    65   469.000  1.400
   59    79   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   300.000  1.725
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    73    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    45    58.35000  112.70000
   33    42    67    58.35000  112.70000
   37    44    48    60.00000  119.52600
   37    44    70    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    48    49    35.00000  120.00000
   44    48    53    63.00000  120.00000
   44    70    63    63.00000  120.00000
   44    70    73    60.00000  119.52600
   48    53    54    35.00000  120.00000
   48    53    57    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    63    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    70    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    70    73    60.00000  119.52600
   70    44    48    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    39    65.00000  115.47100
   73    39    40    90.00000  108.74100
   73    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    73    74    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    50    58.35000  112.70000
   42    67    60    58.35000  112.70000
   42    67    68    37.50000  110.70000
   42    67    69    37.50000  110.70000
   45    42    43    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    59    70.00000  112.17500
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    65    70.00000  120.00000
   55    59    79    70.00000  120.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    67    58.35000  112.70000
   59    55    56    35.00000  109.50000
   59    65    66    35.00000  120.00000
   59    65    71    63.00000  120.00000
   59    79    77    63.00000  120.00000
   59    79    80    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    75    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    75    76    75.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    75.00000  120.00000
   77    79    80    35.00000  120.00000
   79    59    65    63.00000  120.00000
   79    77    78    35.00000  120.00000
   60    55    56    37.50000  110.70000
   60    55    59    70.00000  112.17500
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   62    60    61    33.00000  107.80000
   67    42    43    37.50000  110.70000
   67    42    45    58.35000  112.70000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   69    67    68    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    73   0.56750  1.0 1.0
   29    33    39    73  -0.07550 -1.0 2.0
   29    33    39    73   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    67   0.44750  1.0 1.0
   29    33    42    67  -0.17800 -1.0 2.0
   29    33    42    67   0.20200  1.0 3.0
   33    37    44    48   2.26350  1.0 1.0
   33    37    44    48   0.76750 -1.0 2.0
   33    37    44    48   0.22500  1.0 3.0
   33    37    44    70   2.26350  1.0 1.0
   33    37    44    70   0.76750 -1.0 2.0
   33    37    44    70   0.22500  1.0 3.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    50   0.56750  1.0 1.0
   33    42    45    50  -0.07550 -1.0 2.0
   33    42    45    50   0.20000  1.0 3.0
   33    42    67    60   0.56750  1.0 1.0
   33    42    67    60  -0.07550 -1.0 2.0
   33    42    67    60   0.20000  1.0 3.0
   33    42    67    68   0.15000  1.0 3.0
   33    42    67    69   0.15000  1.0 3.0
   37    33    39    73   0.11950  1.0 1.0
   37    33    39    73   0.20300 -1.0 2.0
   37    33    39    73  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    45  -0.95700  1.0 1.0
   37    33    42    45  -0.18200 -1.0 2.0
   37    33    42    45   0.29450  1.0 3.0
   37    33    42    67  -0.95700  1.0 1.0
   37    33    42    67  -0.18200 -1.0 2.0
   37    33    42    67   0.29450  1.0 3.0
   37    44    48    49   3.62500 -1.0 2.0
   37    44    48    53   3.62500 -1.0 2.0
   37    44    70    63   3.62500 -1.0 2.0
   37    44   -70    73   3.62500 -1.0 2.0
   38    37    44    48   1.05000 -1.0 2.0
   38    37    44    70   1.05000 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    57   3.62500 -1.0 2.0
   44    70    73    74   1.05000 -1.0 2.0
   44    70    73    39   2.26350  1.0 1.0
   44    70    73    39   0.76750 -1.0 2.0
   44    70    73    39   0.22500  1.0 3.0
   48    44    70    63   3.62500 -1.0 2.0
   48    44    70    73   3.62500 -1.0 2.0
   48    53    57    58   3.62500 -1.0 2.0
   48    53   -57    63   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    57   3.62500 -1.0 2.0
   53    57    63    64   3.62500 -1.0 2.0
   53    57    63    70   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    63   3.62500 -1.0 2.0
   57    63   -70    44   3.62500 -1.0 2.0
   57    63    70    73   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    70   3.62500 -1.0 2.0
   63    70    73    74   1.05000 -1.0 2.0
   63    70    73    39   2.26350  1.0 1.0
   63    70    73    39   0.76750 -1.0 2.0
   63    70    73    39   0.22500  1.0 3.0
   64    63    70    44   3.62500 -1.0 2.0
   64    63    70    73   3.62500 -1.0 2.0
   70    44    48    49   3.62500 -1.0 2.0
   70    44   -48    53   3.62500 -1.0 2.0
   70    73   -39    33   0.05850 -1.0 2.0
   70    73   -39    33   0.17250  1.0 3.0
   70    73    39    40   0.65300  1.0 1.0
   70    73    39    40  -0.03850 -1.0 2.0
   70    73    39    40   0.33900  1.0 3.0
   70    73    39    41   0.00000  1.0 1.0
   74    73    39    33   0.30150 -1.0 2.0
   74    73    39    40   0.30150 -1.0 2.0
   74    73    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.05850 -1.0 2.0
   39    33   -37    44   0.17250  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    45   0.56750  1.0 1.0
   39    33    42    45  -0.07550 -1.0 2.0
   39    33    42    45   0.20000  1.0 3.0
   39    33    42    67   0.56750  1.0 1.0
   39    33    42    67  -0.07550 -1.0 2.0
   39    33    42    67   0.20000  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.05850 -1.0 2.0
   42    33    37    44   0.17250  1.0 3.0
   42    33    39    73  -0.95700  1.0 1.0
   42    33    39    73  -0.18200 -1.0 2.0
   42    33    39    73   0.29450  1.0 3.0
   42    33    39    40   0.62750  1.0 1.0
   42    33    39    40  -0.30950 -1.0 2.0
   42    33    39    40   0.27300  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   42    45    50    51   0.15000  1.0 3.0
   42    45    50    52   0.15000  1.0 3.0
   42    45    50    55   0.56750  1.0 1.0
   42    45    50    55  -0.07550 -1.0 2.0
   42    45    50    55   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    50   0.15000  1.0 3.0
   43    42    67    60   0.15000  1.0 3.0
   43    42    67    68   0.15000  1.0 3.0
   43    42    67    69   0.15000  1.0 3.0
   45    42    67    60   0.56750  1.0 1.0
   45    42    67    60  -0.07550 -1.0 2.0
   45    42    67    60   0.20000  1.0 3.0
   45    42    67    68   0.15000  1.0 3.0
   45    42    67    69   0.15000  1.0 3.0
   45    50    55    56   0.15000  1.0 3.0
   45    50    55    59  -0.03700  1.0 1.0
   45    50    55    59   0.37200 -1.0 2.0
   45    50    55    59  -0.47300  1.0 3.0
   45    50   -55    60   0.56750  1.0 1.0
   45    50   -55    60  -0.07550 -1.0 2.0
   45    50   -55    60   0.20000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    55   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    55   0.15000  1.0 3.0
   50    55    59    65   0.04150 -1.0 2.0
   50    55    59    79   0.04150 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    67   0.56750  1.0 1.0
   50    55    60    67  -0.07550 -1.0 2.0
   50    55    60    67   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.43200  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    59   0.43200  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    59    65    66   3.62500 -1.0 2.0
   55    59    65    71   3.62500 -1.0 2.0
   55    59    79    77   3.62500 -1.0 2.0
   55    59    79    80   3.62500 -1.0 2.0
   55    60   -67    42   0.56750  1.0 1.0
   55    60   -67    42  -0.07550 -1.0 2.0
   55    60   -67    42   0.20000  1.0 3.0
   55    60    67    68   0.15000  1.0 3.0
   55    60    67    69   0.15000  1.0 3.0
   56    55    59    65   0.00000  1.0 1.0
   56    55    59    79   0.00000  1.0 1.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   59    55    60    61   0.43200  1.0 3.0
   59    55    60    62   0.43200  1.0 3.0
   59    55    60    67  -0.03700  1.0 1.0
   59    55    60    67   0.37200 -1.0 2.0
   59    55    60    67  -0.47300  1.0 3.0
   59    65    71    72   3.62500 -1.0 2.0
   59    65    71    75   3.62500 -1.0 2.0
   65    59    79    77   3.62500 -1.0 2.0
   65    59    79    80   3.62500 -1.0 2.0
   65    71    75    76   3.62500 -1.0 2.0
   65    71   -75    77   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    75   3.62500 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75    77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77   -79    59   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    59   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    59    65    66   3.62500 -1.0 2.0
   79    59   -65    71   3.62500 -1.0 2.0
   60    55    59    65   0.04150 -1.0 2.0
   60    55    59    79   0.04150 -1.0 2.0
   61    60    67    42   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   62    60    67    42   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   67    42    45    46   0.15000  1.0 3.0
   67    42    45    47   0.15000  1.0 3.0
   67    42   -45    50   0.56750  1.0 1.0
   67    42   -45    50  -0.07550 -1.0 2.0
   67    42   -45    50   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   48    70    44    37   4.00000 -1.0 2.0
   53    49    48    44   1.10000 -1.0 2.0
   57    54    53    48   1.10000 -1.0 2.0
   63    58    57    53   1.10000 -1.0 2.0
   70    64    63    57   1.10000 -1.0 2.0
   63    73    70    44   4.00000 -1.0 2.0
   70    39    73    74  10.50000 -1.0 2.0
   65    79    59    55   4.00000 -1.0 2.0
   71    66    65    59   1.10000 -1.0 2.0
   75    72    71    65   1.10000 -1.0 2.0
   77    76    75    71   4.00000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    59   1.10000 -1.0 2.0
END
