* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    141    227     413
    1     0 S   NP   _N1_     1    28.77923    94.31657   -19.53283
    2     1 S   H    _HN1     2     1.02922    84.67388    20.97579
    3     1 S   H    _H1_     3     1.02831    36.93197   148.66081
    4     1 S   H    _H2_     4     1.02777    88.28183   -87.77936
    5     1 S   CT   _CA1     5     1.50211   147.37056   141.17902
    6     5 S   HC   _HA1     6     1.09573   105.04696    64.07698
    7     5 S   CO3  _C1_     7     1.53820   112.64251   -55.69010
    8     7 S   O2Z  _O11     8     1.26382   114.96966   -32.48958
    9     7 S   O2Z  _O12     9     1.26243   114.99639   146.42076
   10     5 S   CT   _CB1    10     1.53091   107.35239  -177.98773
   11    10 S   HC   HB11    11     1.09826   109.27907   -47.71180
   12    10 S   HC   HB12    12     1.09803   110.37248    68.87273
   13    10 S   CT   _CG1    13     1.53022   112.81379  -168.73990
   14    13 S   HC   HG11    14     1.09440   110.32290   -68.45409
   15    13 S   HC   HG12    15     1.09656   109.93436    50.81467
   16    13 S   C    _CD1    16     1.51818   112.33365   171.29333
   17    16 S   O    _OE1    17     1.22755   123.15142     6.44096
   18    16 S   N    _N2_    18     1.38750   111.85993  -173.72190
   19    18 S   H    _HN2    19     1.01611   119.00443     0.83016
   20    18 S   CT1  _CA2    20     1.46362   123.17770   178.14196
   21    20 S   HC   _HA2    21     1.09747   109.20163    -3.57193
   22    20 S   C    _C2_    22     1.53396   108.65522  -118.99351
   23    22 S   O    _O2_    23     1.23041   122.27906  -148.49740
   24    20 S   CT   _CB2    32     1.53453   111.85634   118.23707
   25    24 S   HC   HB21    33     1.09243   110.06364    62.37652
   26    24 S   HC   HB22    34     1.09549   110.27588   179.95577
   27    22 S   N    _N3_    24     1.38334   113.56900    38.96761
   28    27 S   H    _HN3    25     1.01622   119.50570    -3.68366
   29    24 S   S    _SG2    35     1.82553   110.84416   -61.39068
   30    27 S   CT   _CA3    26     1.45283   123.18926   176.98234
   31    30 S   HC   HA31    27     1.09551   107.55061   -63.24886
   32    30 S   HC   HA32    28     1.09556   107.92727    53.16787
   33    29 S   CT   _C23    36     1.83701   101.54179   139.50824
   34    33 S   HC   _H3_    37     1.09557   108.38258    61.21052
   35    30 S   CO3  _C3_    29     1.52949   114.10017   175.12022
   36    35 S   O2Z  _O31    30     1.26372   116.05999    -1.00736
   37    35 S   O2Z  _O32    31     1.26428   114.41754   179.04162
   38    33 S   CO4  _C20    38     1.51484   106.22526   177.36902
   39    38 S   O    _O25    39     1.22720   122.14318   -97.98190
   40    33 S   CT   _C22    70     1.52059   115.72561   -62.19574
   41    40 S   HC   _H34    71     1.09786   109.95598   176.50839
   42    40 S   HC   _H35    72     1.09337   111.72917    58.27719
   43    38 S   CA   _C8_    40     1.48674   117.06226    79.17643
   44    43 S   CA   _C4_    41     1.39939   118.53745  -159.96810
   45    44 S   HA   _H30    42     1.08843   119.91431    -2.28747
   46    44 S   CA   _C12    43     1.40336   120.83554   175.78764
   47    46 S   CA   _C7_    44     1.41482   119.50241     0.19281
   48    46 S   CT   _C24    75     1.50634   118.74685  -177.70791
   49    48 S   HC   _H37    76     1.09456   110.27558   113.16712
   50    48 S   HC   _H38    77     1.09407   110.82531  -125.35292
   51    48 S   HC   _H39    78     1.09535   111.49294    -6.25009
   52    47 S   CA   _C6_    45     1.48365   121.36939  -178.08409
   53    47 S   CA   _C15    66     1.41468   118.82816     1.07974
   54    52 S   CA   _C9_    46     1.42761   122.19286    91.30458
   55    43 S   CA   _C11    67     1.39901   120.93778    17.02582
   56    53 S   OH   _O28    73     1.37358   116.53527   178.88197
   57    56 S   HO   _H44    74     0.97341   110.03742   175.08235
   58    54 S   CA   _C10    47     1.40924   120.07913   178.56892
   59    55 S   CO4  _C21    68     1.48697   119.46358     4.52368
   60    59 S   O    _O26    69     1.22721   121.13610  -177.55455
   61    58 S   CA   _C14    48     1.40188   119.55950     0.27976
   62    58 S   CO4  _C19    58     1.48331   120.66258  -179.44609
   63    62 S   O    _O24    59     1.22603   122.00481  -179.39091
   64    61 S   CA   _C5_    49     1.39087   120.79935    -0.35608
   65    64 S   HA   _H31    50     1.08821   119.17154  -179.49876
   66    61 S   OH   _O27    56     1.37010   123.83807   179.86152
   67    66 S   HO   _H43    57     0.97350   109.09902     0.81493
   68    62 S   CM   _C17    60     1.46935   118.55280     0.51586
   69    68 S   HC   _H33    61     1.08416   117.55180   179.49603
   70    52 S   CA   _C13    51     1.42073   118.78172   -90.26757
   71    68 S   CM   _C16    62     1.32940   121.40128    -0.66382
   72    71 S   HC   _H32    63     1.08478   120.66156  -179.85463
   73    70 S   CT   _C25    52     1.50858   121.99650     0.03956
   74    73 S   HC   _H40    53     1.09451   110.41943   -62.58962
   75    73 S   HC   _H41    54     1.09405   110.78328    59.14493
   76    73 S   HC   _H42    55     1.09551   111.51725   178.24498
   77    54 S   CO4  _C18    64     1.49740   121.31299    -1.12796
   78    77 S   O    _O23    65     1.22498   123.75182    -1.57793
  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   9   5   4   3
  11   7   2   1   1  11   4   7   4   3  10  11   4  11  16   5
   2   1   1  17   7  13   4   2   1  13   1   1  10   8   3   8
   3   2   1   5   3   5   3   2   3   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    59    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    55    59    60    40    41    42  
   38    39    43    59    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    53    55    59    40    41    42  
   43    44    55    40  
   41    42    43    53    55    59    60  
   42    55    59    60  
   55    59    60  
   44    45    46    47    53    55    59    60    56    48  
   45    46    47    52    53    55    59    48    49    50    51  
   46    47    55    48  
   47    52    54    70    53    55    56    48    49    50    51  
   52    54    58    64    70    73    77    53    55    59    56    57    48    49    50    51  
   49    50    51    52    53  
   50    51  
   51  
    0  
   54    58    61    64    65    70    73    74    75    76    62    71    77    78    53    55    56  
   55    59    60    56    57    54    70  
   58    61    64    70    73    66    62    63    68    71    72    77    78  
   59    60    56    57  
   57    59  
    0  
   61    64    65    70    66    67    62    63    68    69    71    77    78  
   60  
    0  
   64    65    70    73    66    67    62    63    68    77  
   63    68    69    71    72    77    64    66  
   68    69    71  
   65    70    73    74    75    76    66    67  
   70    73    66  
   67    70  
    0  
   69    71    72    77    78  
   71    72    77  
   73    74    75    76    77  
   72    77    78  
   77    78  
   74    75    76  
   75    76  
   76  
    0  
   78  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   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   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   310.000  1.470
   43    44   469.000  1.400
   43    55   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   469.000  1.400
   46    48   317.000  1.510
   47    52   375.000  1.464
   47    53   469.000  1.400
   52    54   469.000  1.400
   52    70   469.000  1.400
   54    58   469.000  1.400
   54    77   310.000  1.470
   58    61   469.000  1.400
   58    62   310.000  1.470
   61    64   469.000  1.400
   61    66   450.000  1.364
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    73   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   62    63   570.000  1.229
   62    68   320.000  1.462
   68    69   340.000  1.080
   68    71   549.000  1.340
   71    72   340.000  1.080
   71    77   320.000  1.462
   77    78   570.000  1.229
   53    55   469.000  1.400
   53    56   450.000  1.364
   55    59   310.000  1.470
   59    60   570.000  1.229
   59    40   317.000  1.522
   40    41   340.000  1.090
   40    42   340.000  1.090
   56    57   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    65.00000  115.47100
   33    40    59    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    60.00000  119.52600
   38    43    55    60.00000  119.52600
   43    38    39    75.00000  123.78400
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    55    53    63.00000  120.00000
   43    55    59    60.00000  119.52600
   44    46    47    63.00000  120.00000
   44    46    48    70.00000  120.00000
   46    44    45    35.00000  120.00000
   46    47    52    60.00000  122.76000
   46    47    53    63.00000  120.00000
   46    48    49    35.00000  109.50000
   46    48    50    35.00000  109.50000
   46    48    51    35.00000  109.50000
   47    52    54    60.00000  122.76000
   47    52    70    60.00000  122.76000
   47    53    55    63.00000  120.00000
   47    53    56    70.00000  120.00000
   52    54    58    63.00000  120.00000
   52    54    77    60.00000  119.52600
   52    70    64    63.00000  120.00000
   52    70    73    70.00000  120.00000
   54    58    61    63.00000  120.00000
   54    58    62    60.00000  119.52600
   54    77    71    65.00000  117.02400
   54    77    78    75.00000  123.78400
   58    61    64    63.00000  120.00000
   58    61    66    70.00000  120.00000
   58    62    63    75.00000  123.78400
   58    62    68    65.00000  117.02400
   61    64    65    35.00000  120.00000
   61    64    70    63.00000  120.00000
   61    66    67    35.00000  113.00000
   64    70    73    70.00000  120.00000
   70    52    54    63.00000  120.00000
   70    64    65    35.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    61    64    70.00000  120.00000
   62    58    61    60.00000  119.52600
   62    68    69    40.00000  117.72500
   62    68    71    65.00000  118.96000
   68    62    63    80.00000  123.72100
   68    71    72    35.00000  120.00000
   68    71    77    65.00000  118.96000
   71    68    69    35.00000  120.00000
   71    77    78    80.00000  123.72100
   77    54    58    60.00000  119.52600
   77    71    72    40.00000  117.72500
   53    47    52    60.00000  122.76000
   53    55    59    60.00000  119.52600
   53    56    57    35.00000  113.00000
   55    43    44    63.00000  120.00000
   55    59    60    75.00000  123.78400
   55    59    40    65.00000  115.47100
   59    40    41    35.00000  109.50000
   59    40    42    35.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    59    60    80.00000  120.40000
   42    40    41    33.00000  107.80000
   56    53    55    70.00000  120.00000
   48    46    47    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    59   0.56750  1.0 1.0
   29    33    40    59  -0.07550 -1.0 2.0
   29    33    40    59   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   2.26350  1.0 1.0
   33    38    43    44   0.76750 -1.0 2.0
   33    38    43    44   0.22500  1.0 3.0
   33    38    43    55   2.26350  1.0 1.0
   33    38    43    55   0.76750 -1.0 2.0
   33    38    43    55   0.22500  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    59  -0.11250  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    59   0.11950  1.0 1.0
   38    33    40    59   0.20300 -1.0 2.0
   38    33    40    59  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45   3.62500 -1.0 2.0
   38    43    44    46   3.62500 -1.0 2.0
   38    43    55    53   3.62500 -1.0 2.0
   38    43   -55    59   3.62500 -1.0 2.0
   39    38    43    44   1.05000 -1.0 2.0
   39    38    43    55   1.05000 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    55    59    60   1.05000 -1.0 2.0
   43    55    59    40   2.26350  1.0 1.0
   43    55    59    40   0.76750 -1.0 2.0
   43    55    59    40   0.22500  1.0 3.0
   44    43    55    53   3.62500 -1.0 2.0
   44    43    55    59   3.62500 -1.0 2.0
   44    46    47    52   3.62500 -1.0 2.0
   44    46   -47    53   3.62500 -1.0 2.0
   44    46    48    49   0.00000  1.0 1.0
   44    46    48    50   0.00000  1.0 1.0
   44    46    48    51   0.00000  1.0 1.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    47    52    54  -0.19450  1.0 1.0
   46    47    52    54   0.63300 -1.0 2.0
   46    47    52    54   0.07450  1.0 3.0
   46    47    52    70  -0.19450  1.0 1.0
   46    47    52    70   0.63300 -1.0 2.0
   46    47    52    70   0.07450  1.0 3.0
   46    47    53    55   3.62500 -1.0 2.0
   46    47    53    56   3.62500 -1.0 2.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    50   0.00000  1.0 1.0
   47    46    48    51   0.00000  1.0 1.0
   47    52    54    58   3.62500 -1.0 2.0
   47    52    54    77   3.62500 -1.0 2.0
   47    52    70    64   3.62500 -1.0 2.0
   47    52    70    73   3.62500 -1.0 2.0
   47    53   -55    43   3.62500 -1.0 2.0
   47    53    55    59   3.62500 -1.0 2.0
   47    53    56    57   0.84100 -1.0 2.0
   52    47    53    55   3.62500 -1.0 2.0
   52    47    53    56   3.62500 -1.0 2.0
   52    54    58    61   3.62500 -1.0 2.0
   52    54    58    62   3.62500 -1.0 2.0
   52    54    77    71  -0.11500  1.0 1.0
   52    54    77    71   1.10450 -1.0 2.0
   52    54    77    71  -0.48050  1.0 3.0
   52    54    77    78   1.05000 -1.0 2.0
   52    70    73    74   0.00000  1.0 1.0
   52    70    73    75   0.00000  1.0 1.0
   52    70    73    76   0.00000  1.0 1.0
   54    52    70    64   3.62500 -1.0 2.0
   54    52    70    73   3.62500 -1.0 2.0
   54    58   -61    64   3.62500 -1.0 2.0
   54    58    61    66   3.62500 -1.0 2.0
   54    58    62    63   1.05000 -1.0 2.0
   54    58    62    68  -0.11500  1.0 1.0
   54    58    62    68   1.10450 -1.0 2.0
   54    58    62    68  -0.48050  1.0 3.0
   58    54    77    71  -0.11500  1.0 1.0
   58    54    77    71   1.10450 -1.0 2.0
   58    54    77    71  -0.48050  1.0 3.0
   58    54    77    78   1.05000 -1.0 2.0
   58    61    64    65   3.62500 -1.0 2.0
   58    61    64    70   3.62500 -1.0 2.0
   58    61    66    67   0.84100 -1.0 2.0
   58    62    68    69   1.64500 -1.0 2.0
   58    62   -68    71  -1.65800  1.0 1.0
   58    62   -68    71   0.77650 -1.0 2.0
   61    58    62    63   1.05000 -1.0 2.0
   61    58    62    68  -0.11500  1.0 1.0
   61    58    62    68   1.10450 -1.0 2.0
   61    58    62    68  -0.48050  1.0 3.0
   61    64   -70    52   3.62500 -1.0 2.0
   61    64    70    73   3.62500 -1.0 2.0
   64    61    66    67   0.84100 -1.0 2.0
   64    70    73    74   0.00000  1.0 1.0
   64    70    73    75   0.00000  1.0 1.0
   64    70    73    76   0.00000  1.0 1.0
   65    64    70    52   3.62500 -1.0 2.0
   65    64    70    73   3.62500 -1.0 2.0
   70    52   -54    58   3.62500 -1.0 2.0
   70    52    54    77   3.62500 -1.0 2.0
   66    61    64    65   3.62500 -1.0 2.0
   66    61    64    70   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    66   3.62500 -1.0 2.0
   62    68    71    72   7.00000 -1.0 2.0
   62    68    71    77   7.00000 -1.0 2.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    71   1.00000 -1.0 2.0
   68    71   -77    54  -1.65800  1.0 1.0
   68    71   -77    54   0.77650 -1.0 2.0
   68    71    77    78   1.00000 -1.0 2.0
   69    68    71    72   7.00000 -1.0 2.0
   69    68    71    77   7.00000 -1.0 2.0
   72    71    77    54   1.64500 -1.0 2.0
   72    71    77    78   0.00000  1.0 1.0
   77    54    58    61   3.62500 -1.0 2.0
   77    54   -58    62   3.62500 -1.0 2.0
   53    47    52    54  -0.19450  1.0 1.0
   53    47    52    54   0.63300 -1.0 2.0
   53    47    52    54   0.07450  1.0 3.0
   53    47    52    70  -0.19450  1.0 1.0
   53    47    52    70   0.63300 -1.0 2.0
   53    47    52    70   0.07450  1.0 3.0
   53    55    59    60   1.05000 -1.0 2.0
   53    55    59    40   2.26350  1.0 1.0
   53    55    59    40   0.76750 -1.0 2.0
   53    55    59    40   0.22500  1.0 3.0
   55    43    44    45   3.62500 -1.0 2.0
   55    43   -44    46   3.62500 -1.0 2.0
   55    53    56    57   0.84100 -1.0 2.0
   55    59   -40    33   0.05850 -1.0 2.0
   55    59   -40    33   0.17250  1.0 3.0
   55    59    40    41   0.00000  1.0 1.0
   55    59    40    42   0.00000  1.0 1.0
   60    59    40    33   0.30150 -1.0 2.0
   60    59    40    41   0.00000  1.0 1.0
   60    59    40    42   0.00000  1.0 1.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.05850 -1.0 2.0
   40    33   -38    43   0.17250  1.0 3.0
   56    53    55    43   3.62500 -1.0 2.0
   56    53    55    59   3.62500 -1.0 2.0
   48    46    47    52   3.62500 -1.0 2.0
   48    46    47    53   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   44    55    43    38   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   47    48    46    44   4.00000 -1.0 2.0
   52    53    47    46   4.00000 -1.0 2.0
   54    70    52    47   4.00000 -1.0 2.0
   58    77    54    52   4.00000 -1.0 2.0
   61    62    58    54   4.00000 -1.0 2.0
   64    66    61    58   4.00000 -1.0 2.0
   70    65    64    61   1.10000 -1.0 2.0
   64    73    70    52   4.00000 -1.0 2.0
   58    68    62    63  10.50000 -1.0 2.0
   62    69    68    71   1.10000 -1.0 2.0
   77    72    71    68   1.10000 -1.0 2.0
   54    71    77    78  10.50000 -1.0 2.0
   55    56    53    47   4.00000 -1.0 2.0
   53    59    55    43   4.00000 -1.0 2.0
   55    40    59    60  10.50000 -1.0 2.0
END
