* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    152    255     459
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02036    83.62938    50.05571
    3     1 S   H    _H1_     3     1.02118    34.33393  -172.69897
    4     1 S   H    _H2_     4     1.02107    96.06626   -58.19290
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.84147    97.46999   161.83877
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CO4  _C13    37     1.52842   109.15915    39.99848
   38    37 S   O    _O34    38     1.22805   123.42720    25.38760
   39    33 S   CT   _C11    51     1.53392   109.12488   -82.09834
   40    39 S   HC   _H3_    52     1.07838   111.76643   -69.08990
   41    33 S   CT   _C14    55     1.53644   107.32083   157.19397
   42    41 S   HC   _H8_    56     1.09764   107.84588  -177.76559
   43    37 S   CA   _C7_    39     1.48610   117.26870  -158.56214
   44    39 S   OH   _O35    53     1.42527   113.11818    52.45362
   45    44 S   HO   _H22    54     0.97142   106.93783  -177.05629
   46    41 S   CT   _C15    57     1.53425   110.63779    63.86571
   47    46 S   HC   _H9_    58     1.09696   109.85457    60.59942
   48    46 S   HC   _H10    59     1.09756   109.94326   -56.71727
   49    43 S   CA   _C6_    40     1.40121   119.07365  -167.36404
   50    49 S   HA   _H6_    41     1.08686   121.35517    -2.37545
   51    46 S   CT   _C16    60     1.52803   111.69753  -178.08848
   52    51 S   HC   _H11    61     1.09761   109.33580   177.23317
   53    51 S   HC   _H12    62     1.09785   109.21380   -66.64642
   54    49 S   CA   _C5_    42     1.39503   120.13431   178.31832
   55    54 S   HA   _H5_    43     1.08603   119.97226   179.69674
   56    51 S   CT   _C17    63     1.53788   111.45382    55.32025
   57    56 S   HC   _H13    64     1.09743   109.05375    65.24668
   58    54 S   CA   _C4_    44     1.39305   120.07987    -0.04846
   59    58 S   HA   _H4_    45     1.08615   119.97915  -179.43421
   60    56 S   CA   _C20    65     1.49474   110.09531  -177.12451
   61    56 S   CT   _C18    76     1.53682   110.92252   -54.93642
   62    61 S   HC   _H14    77     1.09822   110.18176   -66.44097
   63    61 S   HC   _H15    78     1.09745   110.10774   176.43509
   64    58 S   CA   _C9_    46     1.39517   120.09479     0.30390
   65    64 S   HA   _H7_    47     1.08707   118.73417  -179.48718
   66    60 S   CA   _C21    66     1.39532   120.05732   -90.07156
   67    66 S   HA   _H18    67     1.08687   120.41307     0.08393
   68    41 S   CT   _C19    79     1.53482   110.61258   -59.42017
   69    68 S   HC   _H16    80     1.09762   109.89152    56.75764
   70    68 S   HC   _H17    81     1.09627   109.96820   -60.51389
   71    43 S   CA   _C8_    48     1.39794   121.24513    11.42094
   72    66 S   CA   _C22    68     1.39487   120.01572  -179.93147
   73    72 S   HA   _H19    69     1.08643   119.14980   180.00000
   74    71 S   CO4  _C10    49     1.48177   120.90398     3.24293
   75    74 S   O    _O33    50     1.22758   120.66789  -172.37489
   76    72 S   CA   _C23    70     1.39485   119.99305     0.04846
   77    76 S   Cl   Cl1_    71     1.72079   119.99277   179.97202
   78    76 S   CA   _C24    72     1.39501   120.00297     0.01978
   79    78 S   HA   _H20    73     1.08651   120.79343  -179.96044
   80    60 S   CA   _C25    74     1.39485   119.95135    90.04238
   81    80 S   HA   _H21    75     1.08654   120.47534    -0.05234
  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
  21   2   1   1  15   5  12   6  17   8  10   4   1  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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    74    39    40    44    41    42    46    68  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    49    71    74    75    39    40    44    45    41    42    46    47    48    51    61    68    69    70  
   35    36  
   36  
    0  
   38    43    49    50    54    64    71    74    39    40    44    41    42    46    68  
   43    49    71    39    41  
   40    44    45    41    42    46    68    43    64    71    74    75  
   44    45    41    71    74    75  
   42    46    47    48    51    52    53    56    61    62    63    68    69    70    43    44    74  
   46    47    48    51    61    68    69    70  
   49    50    54    55    58    64    65    71    74    75  
   45    71    74    75  
   74  
   47    48    51    52    53    56    57    60    61    68    69    70  
   48    51    52    53    56    68  
   51    52    53    56    68  
   50    54    55    58    59    64    71    74  
   54    55    58    71  
   52    53    56    57    60    66    80    61    62    63    68  
   53    56    57    60    61  
   56    57    60    61  
   55    58    59    64    65    71  
   58    59    64  
   57    60    66    67    72    78    80    81    61    62    63    68    69    70  
   60    66    80    61    62    63    68  
   59    64    65    71    74  
   64    65    71  
   66    67    72    73    76    78    79    80    81    61    62    63    68  
   62    63    68    69    70    66    80  
   63    68    69    70  
   68    69    70  
   65    71    74    75  
   71    74  
   67    72    73    76    77    78    80    81  
   72    73    76    80  
   69    70  
   70  
    0  
   74    75  
   73    76    77    78    79    80  
   76    77    78  
   75  
    0  
   77    78    79    80    81  
   78    79    80  
   79    80    81  
   80    81  
   81  
    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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   80   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   81   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    41   268.000  1.529
   37    38   570.000  1.229
   37    43   310.000  1.470
   43    49   469.000  1.400
   43    71   469.000  1.400
   49    50   367.000  1.080
   49    54   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    64   469.000  1.400
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    74   310.000  1.470
   74    75   570.000  1.229
   74    39   317.000  1.522
   39    40   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
   41    42   340.000  1.090
   41    46   268.000  1.529
   41    68   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    60   317.000  1.510
   56    61   268.000  1.529
   60    66   469.000  1.400
   60    80   469.000  1.400
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   300.000  1.725
   76    78   469.000  1.400
   78    79   367.000  1.080
   78    80   469.000  1.400
   80    81   367.000  1.080
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    68   268.000  1.529
   68    69   340.000  1.090
   68    70   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    41    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  115.47100
   33    39    74    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    44    50.00000  109.50000
   33    41    42    37.50000  110.70000
   33    41    46    58.35000  112.70000
   33    41    68    58.35000  112.70000
   37    43    49    60.00000  119.52600
   37    43    71    60.00000  119.52600
   43    37    38    75.00000  123.78400
   43    49    50    35.00000  120.00000
   43    49    54    63.00000  120.00000
   43    71    64    63.00000  120.00000
   43    71    74    60.00000  119.52600
   49    54    55    35.00000  120.00000
   49    54    58    63.00000  120.00000
   54    49    50    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    64    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    64    65    35.00000  120.00000
   58    64    71    63.00000  120.00000
   64    58    59    35.00000  120.00000
   64    71    74    60.00000  119.52600
   71    43    49    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    74    75    75.00000  123.78400
   71    74    39    65.00000  115.47100
   74    39    40    35.00000  109.50000
   74    39    44    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    74    75    80.00000  120.40000
   39    44    45    55.00000  108.50000
   44    39    40    35.00000  109.50000
   41    33    37    63.00000  111.10000
   41    33    39    58.35000  112.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   41    68    61    58.35000  112.70000
   41    68    69    37.50000  110.70000
   41    68    70    37.50000  110.70000
   46    41    42    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    60    70.00000  112.17500
   51    56    61    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    60    66    70.00000  120.00000
   56    60    80    70.00000  120.00000
   56    61    62    37.50000  110.70000
   56    61    63    37.50000  110.70000
   56    61    68    58.35000  112.70000
   60    56    57    35.00000  109.50000
   60    66    67    35.00000  120.00000
   60    66    72    63.00000  120.00000
   60    80    78    63.00000  120.00000
   60    80    81    35.00000  120.00000
   66    72    73    35.00000  120.00000
   66    72    76    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    76    77    75.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    78    79    35.00000  120.00000
   76    78    80    63.00000  120.00000
   78    76    77    75.00000  120.00000
   78    80    81    35.00000  120.00000
   80    60    66    63.00000  120.00000
   80    78    79    35.00000  120.00000
   61    56    57    37.50000  110.70000
   61    56    60    70.00000  112.17500
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   63    61    62    33.00000  107.80000
   68    41    42    37.50000  110.70000
   68    41    46    58.35000  112.70000
   68    61    62    37.50000  110.70000
   68    61    63    37.50000  110.70000
   70    68    69    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    39    74   0.56750  1.0 1.0
   29    33    39    74  -0.07550 -1.0 2.0
   29    33    39    74   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   29    33    41    68   0.44750  1.0 1.0
   29    33    41    68  -0.17800 -1.0 2.0
   29    33    41    68   0.20200  1.0 3.0
   33    37    43    49   2.26350  1.0 1.0
   33    37    43    49   0.76750 -1.0 2.0
   33    37    43    49   0.22500  1.0 3.0
   33    37    43    71   2.26350  1.0 1.0
   33    37    43    71   0.76750 -1.0 2.0
   33    37    43    71   0.22500  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    51   0.56750  1.0 1.0
   33    41    46    51  -0.07550 -1.0 2.0
   33    41    46    51   0.20000  1.0 3.0
   33    41    68    61   0.56750  1.0 1.0
   33    41    68    61  -0.07550 -1.0 2.0
   33    41    68    61   0.20000  1.0 3.0
   33    41    68    69   0.15000  1.0 3.0
   33    41    68    70   0.15000  1.0 3.0
   37    33    39    74   0.11950  1.0 1.0
   37    33    39    74   0.20300 -1.0 2.0
   37    33    39    74  -0.70800  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    44  -0.09450  1.0 1.0
   37    33    39    44  -1.12950 -1.0 2.0
   37    33    39    44   0.54000  1.0 3.0
   37    33    41    42  -0.11250  1.0 3.0
   37    33    41    46  -0.95700  1.0 1.0
   37    33    41    46  -0.18200 -1.0 2.0
   37    33    41    46   0.29450  1.0 3.0
   37    33    41    68  -0.95700  1.0 1.0
   37    33    41    68  -0.18200 -1.0 2.0
   37    33    41    68   0.29450  1.0 3.0
   37    43    49    50   3.62500 -1.0 2.0
   37    43    49    54   3.62500 -1.0 2.0
   37    43    71    64   3.62500 -1.0 2.0
   37    43   -71    74   3.62500 -1.0 2.0
   38    37    43    49   1.05000 -1.0 2.0
   38    37    43    71   1.05000 -1.0 2.0
   43    49    54    55   3.62500 -1.0 2.0
   43    49    54    58   3.62500 -1.0 2.0
   43    71    74    75   1.05000 -1.0 2.0
   43    71    74    39   2.26350  1.0 1.0
   43    71    74    39   0.76750 -1.0 2.0
   43    71    74    39   0.22500  1.0 3.0
   49    43    71    64   3.62500 -1.0 2.0
   49    43    71    74   3.62500 -1.0 2.0
   49    54    58    59   3.62500 -1.0 2.0
   49    54   -58    64   3.62500 -1.0 2.0
   50    49    54    55   3.62500 -1.0 2.0
   50    49    54    58   3.62500 -1.0 2.0
   54    58    64    65   3.62500 -1.0 2.0
   54    58    64    71   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    64   3.62500 -1.0 2.0
   58    64   -71    43   3.62500 -1.0 2.0
   58    64    71    74   3.62500 -1.0 2.0
   59    58    64    65   3.62500 -1.0 2.0
   59    58    64    71   3.62500 -1.0 2.0
   64    71    74    75   1.05000 -1.0 2.0
   64    71    74    39   2.26350  1.0 1.0
   64    71    74    39   0.76750 -1.0 2.0
   64    71    74    39   0.22500  1.0 3.0
   65    64    71    43   3.62500 -1.0 2.0
   65    64    71    74   3.62500 -1.0 2.0
   71    43    49    50   3.62500 -1.0 2.0
   71    43   -49    54   3.62500 -1.0 2.0
   71    74   -39    33   0.05850 -1.0 2.0
   71    74   -39    33   0.17250  1.0 3.0
   71    74    39    40   0.00000  1.0 1.0
   71    74    39    44   0.65300  1.0 1.0
   71    74    39    44  -0.03850 -1.0 2.0
   71    74    39    44   0.33900  1.0 3.0
   74    39    44    45   0.91850  1.0 1.0
   74    39    44    45   0.57950  1.0 3.0
   75    74    39    33   0.30150 -1.0 2.0
   75    74    39    40   0.00000  1.0 1.0
   75    74    39    44   0.30150 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    43   0.05850 -1.0 2.0
   39    33   -37    43   0.17250  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    46   0.56750  1.0 1.0
   39    33    41    46  -0.07550 -1.0 2.0
   39    33    41    46   0.20000  1.0 3.0
   39    33    41    68   0.56750  1.0 1.0
   39    33    41    68  -0.07550 -1.0 2.0
   39    33    41    68   0.20000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    33    37    38   0.30150 -1.0 2.0
   41    33    37    43   0.05850 -1.0 2.0
   41    33    37    43   0.17250  1.0 3.0
   41    33    39    74  -0.95700  1.0 1.0
   41    33    39    74  -0.18200 -1.0 2.0
   41    33    39    74   0.29450  1.0 3.0
   41    33    39    40   0.15000  1.0 3.0
   41    33    39    44   0.86500  1.0 1.0
   41    33    39    44  -0.17500 -1.0 2.0
   41    33    39    44   0.20800  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    56   0.56750  1.0 1.0
   41    46    51    56  -0.07550 -1.0 2.0
   41    46    51    56   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   42    41    68    61   0.15000  1.0 3.0
   42    41    68    69   0.15000  1.0 3.0
   42    41    68    70   0.15000  1.0 3.0
   46    41    68    61   0.56750  1.0 1.0
   46    41    68    61  -0.07550 -1.0 2.0
   46    41    68    61   0.20000  1.0 3.0
   46    41    68    69   0.15000  1.0 3.0
   46    41    68    70   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    60  -0.03700  1.0 1.0
   46    51    56    60   0.37200 -1.0 2.0
   46    51    56    60  -0.47300  1.0 3.0
   46    51   -56    61   0.56750  1.0 1.0
   46    51   -56    61  -0.07550 -1.0 2.0
   46    51   -56    61   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    60    66   0.04150 -1.0 2.0
   51    56    60    80   0.04150 -1.0 2.0
   51    56    61    62   0.15000  1.0 3.0
   51    56    61    63   0.15000  1.0 3.0
   51    56    61    68   0.56750  1.0 1.0
   51    56    61    68  -0.07550 -1.0 2.0
   51    56    61    68   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    60   0.43200  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    60   0.43200  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    60    66    67   3.62500 -1.0 2.0
   56    60    66    72   3.62500 -1.0 2.0
   56    60    80    78   3.62500 -1.0 2.0
   56    60    80    81   3.62500 -1.0 2.0
   56    61   -68    41   0.56750  1.0 1.0
   56    61   -68    41  -0.07550 -1.0 2.0
   56    61   -68    41   0.20000  1.0 3.0
   56    61    68    69   0.15000  1.0 3.0
   56    61    68    70   0.15000  1.0 3.0
   57    56    60    66   0.00000  1.0 1.0
   57    56    60    80   0.00000  1.0 1.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    63   0.15000  1.0 3.0
   57    56    61    68   0.15000  1.0 3.0
   60    56    61    62   0.43200  1.0 3.0
   60    56    61    63   0.43200  1.0 3.0
   60    56    61    68  -0.03700  1.0 1.0
   60    56    61    68   0.37200 -1.0 2.0
   60    56    61    68  -0.47300  1.0 3.0
   60    66    72    73   3.62500 -1.0 2.0
   60    66    72    76   3.62500 -1.0 2.0
   66    60    80    78   3.62500 -1.0 2.0
   66    60    80    81   3.62500 -1.0 2.0
   66    72    76    77   3.62500 -1.0 2.0
   66    72   -76    78   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   67    66    72    76   3.62500 -1.0 2.0
   72    76    78    79   3.62500 -1.0 2.0
   72    76    78    80   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78   -80    60   3.62500 -1.0 2.0
   76    78    80    81   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   77    76    78    80   3.62500 -1.0 2.0
   79    78    80    60   3.62500 -1.0 2.0
   79    78    80    81   3.62500 -1.0 2.0
   80    60    66    67   3.62500 -1.0 2.0
   80    60   -66    72   3.62500 -1.0 2.0
   61    56    60    66   0.04150 -1.0 2.0
   61    56    60    80   0.04150 -1.0 2.0
   62    61    68    41   0.15000  1.0 3.0
   62    61    68    69   0.15000  1.0 3.0
   62    61    68    70   0.15000  1.0 3.0
   63    61    68    41   0.15000  1.0 3.0
   63    61    68    69   0.15000  1.0 3.0
   63    61    68    70   0.15000  1.0 3.0
   68    41    46    47   0.15000  1.0 3.0
   68    41    46    48   0.15000  1.0 3.0
   68    41   -46    51   0.56750  1.0 1.0
   68    41   -46    51  -0.07550 -1.0 2.0
   68    41   -46    51   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    43    37    38  10.50000 -1.0 2.0
   49    71    43    37   4.00000 -1.0 2.0
   54    50    49    43   1.10000 -1.0 2.0
   58    55    54    49   1.10000 -1.0 2.0
   64    59    58    54   1.10000 -1.0 2.0
   71    65    64    58   1.10000 -1.0 2.0
   64    74    71    43   4.00000 -1.0 2.0
   71    39    74    75  10.50000 -1.0 2.0
   66    80    60    56   4.00000 -1.0 2.0
   72    67    66    60   1.10000 -1.0 2.0
   76    73    72    66   1.10000 -1.0 2.0
   78    77    76    72   4.00000 -1.0 2.0
   80    79    78    76   1.10000 -1.0 2.0
   78    81    80    60   1.10000 -1.0 2.0
END
