* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    236     425
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02082    62.81898  -106.41192
    3     1 S   H    _H1_     3     1.02105   106.04749    -3.33883
    4     1 S   H    _H2_     4     1.02086    49.53913    97.90042
    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     1.08641   109.88695   179.05581
   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   _C20    36     1.82356    98.05772  -178.16528
   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   CM   _C21    37     1.49982   110.24572    80.03629
   38    33 S   CO4  _C19    68     1.52653   108.23110  -157.98906
   39    38 S   O    _O36    69     1.23437   120.36877    75.96729
   40    33 S   OH   _O39    77     1.42312   110.37066   -42.88947
   41    40 S   HO   _H14    78     0.96993   106.52490   -57.51068
   42    37 S   CMA  _C23    38     1.49459   117.59754    73.31113
   43    42 S   OM   _O38    39     1.23100   121.05366  -150.99971
   44    37 S   C    _C22    72     1.34218   125.87458  -109.26471
   45    44 S   O    _O37    73     1.26237   130.10795     2.53590
   46    42 S   CT   _C16    40     1.52466   116.87481    28.11056
   47    44 S   N    _N4_    74     1.37350   120.09479  -177.46588
   48    47 S   H    _H12    75     1.01180   119.35026    -0.00000
   49    47 S   H    _H13    76     1.01234   120.28751   180.00000
   50    46 S   CMA  _C15    41     1.52410   112.76907  -106.62012
   51    50 S   OM   _O35    42     1.22930   121.73279   -29.77910
   52    46 S   OH   _O40    70     1.43086   103.00438   141.04044
   53    52 S   HO   _H15    71     0.96844   106.36076    58.11337
   54    50 S   CM   _C7_    43     1.48562   118.55001   152.11508
   55    54 S   CM   _C6_    44     1.39870   120.62721     1.41913
   56    55 S   CM   _C5_    45     1.40315   119.01906   178.80090
   57    55 S   CT   _C18    63     1.50565   121.78945     0.99032
   58    57 S   HC   _H10    64     1.09785   111.47519    92.08665
   59    57 S   HC   _H11    65     1.09732   107.67203  -150.74188
   60    56 S   CA   _C10    46     1.40396   121.36882     1.23480
   61    56 S   CT   _C4_    59     1.50217   115.37598   179.70129
   62    61 S   HC   _H4_    60     1.09292   109.85643   -88.38800
   63    61 S   HC   _H5_    61     1.09390   110.73682    32.06112
   64    61 S   HC   _H6_    62     1.09337   110.78151   151.08087
   65    46 S   CT   _C17    66     1.53055   111.92165    22.78517
   66    65 S   HC   _H3_    67     1.10849   107.18201    62.76177
   67    60 S   CA   _C9_    47     1.41191   119.28259    -0.45542
   68    54 S   CO4  _C8_    48     1.40219   119.12106  -178.47633
   69    68 S   O    _O34    49     1.28801   119.59924     0.57980
   70    67 S   CA   _C14    50     1.40527   119.28848   179.91607
   71    70 S   CA   _C13    51     1.39498   120.72576     0.06256
   72    71 S   HA   _H8_    52     1.08635   120.62733  -179.94405
   73    70 S   OH   _O33    57     1.36820   125.19686  -179.97202
   74    73 S   HO   _H9_    58     0.96794   109.89207     0.03426
   75    71 S   CA   _C12    53     1.39173   119.99766    -0.01978
   76    75 S   HA   _H7_    54     1.08726   118.40753   179.80820
   77    60 S   CA   _C11    55     1.40499   121.45176   179.53606
   78    77 S   Cl   Cl1_    56     1.74045   126.93761     0.68300
  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
  14   2   1   1  15  14   5   4   1  13   5   5   3  12   2   1
   1  12   5   5   1  12  15  15   7   3   2  14   5   2   1   1
   1   1  10   5   1   7   7   4   2   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    65    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    57    65    66    38    39    44    45    47    40    41  
   35    36  
   36  
    0  
   42    43    46    50    65    38    39    52    44    45    47    48    49    40    41  
   39    52    44    40    41    42    46    50    55    57    58    59    65    66  
   40    46    57    65    66  
   41    42    44    65  
    0  
   43    46    50    51    54    57    65    66    52    53    44    45    47  
   46    50    65    52    44  
   45    47    48    49    46  
   47    48    49  
   50    51    54    55    68    57    58    59    65    66    52    53  
   48    49  
   49  
    0  
   51    54    55    56    67    68    69    57    65    66    52    53  
   54    55    68    65    52  
   53    54    57    65    66  
   65  
   55    56    60    67    68    69    70    61    57    58    59    65  
   56    60    67    68    69    77    61    62    63    64    57    58    59    65    66  
   60    67    68    70    75    77    78    61    62    63    64    57    58    59    65  
   58    59    65    66    60    61    68  
   59    65    66  
   65    66  
   67    68    69    70    71    75    76    77    78    73    61    62    63    64  
   62    63    64    67    77  
   63    64  
   64  
    0  
   66  
    0  
   68    69    70    71    72    75    77    78    73    74  
   69    70    71    77    73  
   70  
   71    72    75    76    77    73    74  
   72    75    76    77    78    73    74  
   75    76    77    73  
   74    75  
    0  
   76    77    78  
   77    78  
   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   0.432500   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   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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  1.510
   33    38   317.000  1.522
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    44   410.000  1.444
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    50   270.000  1.512
   46    65   268.000  1.529
   46    52   320.000  1.410
   50    51   745.000  1.250
   50    54   465.000  1.376
   54    55   380.000  1.444
   54    68   320.000  1.462
   55    56   549.000  1.340
   55    57   317.000  1.510
   56    60   320.000  1.460
   56    61   317.000  1.510
   60    67   469.000  1.400
   60    77   469.000  1.400
   67    68   310.000  1.470
   67    70   469.000  1.400
   68    69   570.000  1.229
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   300.000  1.725
   73    74   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    38   317.000  1.522
   38    39   570.000  1.229
   52    53   553.000  0.945
   44    45   570.000  1.229
   44    47   490.000  1.335
   47    48   434.000  1.010
   47    49   434.000  1.010
   40    41   553.000  0.945
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  112.20000
   29    33    38    75.00000  110.18000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    70.00000  119.70000
   33    38    65    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    80.00000  125.30000
   37    44    47    80.00000  111.56200
   42    46    50    70.00000  110.12100
   42    46    65    70.00000  112.02700
   42    46    52    90.00000  110.39200
   46    42    43    85.00000  112.85300
   46    50    51    85.00000  112.85300
   46    50    54    65.00000  122.18000
   46    65    57    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    65    38    63.00000  111.10000
   46    52    53    55.00000  108.50000
   50    54    55    70.00000  117.34000
   50    54    68    60.00000  125.92000
   54    50    51    65.00000  137.10300
   54    55    56    70.00000  123.01800
   54    55    57    70.00000  124.00000
   54    68    67    65.00000  117.02400
   54    68    69    80.00000  123.72100
   55    56    60    60.00000  123.20500
   55    56    61    70.00000  124.00000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    65    70.00000  112.02700
   56    60    67    60.00000  120.93500
   56    60    77    60.00000  120.93500
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   60    67    68    60.00000  119.52600
   60    67    70    63.00000  120.00000
   60    77    75    63.00000  120.00000
   60    77    78    75.00000  120.00000
   67    68    69    75.00000  123.78400
   67    70    71    63.00000  120.00000
   67    70    73    70.00000  120.00000
   68    54    55    65.00000  118.96000
   70    67    68    60.00000  119.52600
   70    71    72    35.00000  120.00000
   70    71    75    63.00000  120.00000
   70    73    74    35.00000  113.00000
   71    75    76    35.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    75.00000  120.00000
   77    60    67    63.00000  120.00000
   77    75    76    35.00000  120.00000
   73    70    71    70.00000  120.00000
   61    56    60    65.00000  118.87000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    55    56    70.00000  124.00000
   57    65    66    37.50000  110.70000
   57    65    38    63.00000  111.10000
   59    57    58    33.00000  107.80000
   65    46    50    70.00000  112.02700
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    65    66    35.00000  109.50000
   52    46    50    90.00000  110.39200
   52    46    65    50.00000  109.50000
   44    37    42    60.00000  120.04000
   44    47    48    35.00000  119.80000
   44    47    49    35.00000  119.80000
   47    44    45    80.00000  122.90000
   49    47    48    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    90.00000  109.61100
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    65   0.65300  1.0 1.0
   29    33    38    65  -0.03850 -1.0 2.0
   29    33    38    65   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    44    45  -0.64400  1.0 1.0
   33    37    44    45   0.26850 -1.0 2.0
   33    37    44    47   1.59650  1.0 1.0
   33    37    44    47   0.42750 -1.0 2.0
   33    37    44    47  -0.48350  1.0 3.0
   37    33    38    65   0.65300  1.0 1.0
   37    33    38    65  -0.03850 -1.0 2.0
   37    33    38    65   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    46    50  -0.28300  1.0 1.0
   37    42    46    50   0.26700 -1.0 2.0
   37    42    46    50  -0.63300  1.0 3.0
   37    42   -46    65   0.09850  1.0 1.0
   37    42   -46    65   0.15250 -1.0 2.0
   37    42   -46    65  -0.50650  1.0 3.0
   37    42    46    52   0.67800  1.0 1.0
   37    42    46    52   0.47050 -1.0 2.0
   37    42    46    52  -0.62500  1.0 3.0
   37    44    47    48   2.56700 -1.0 2.0
   37    44    47    49   2.56700 -1.0 2.0
   42    37    44    45   1.00000 -1.0 2.0
   42    37    44    47   0.49500  1.0 1.0
   42    37    44    47   1.31600 -1.0 2.0
   42    37    44    47  -0.02300  1.0 3.0
   42    46    50    51   0.09700  1.0 1.0
   42    46    50    51   0.15600 -1.0 2.0
   42    46    50    51  -0.50800  1.0 3.0
   42    46    50    54  -0.28300  1.0 1.0
   42    46    50    54   0.26700 -1.0 2.0
   42    46    50    54  -0.63300  1.0 3.0
   42    46    65    57   0.34400  1.0 1.0
   42    46    65    57   0.09450 -1.0 2.0
   42    46    65    57   0.11100  1.0 3.0
   42    46    65    66   0.15000  1.0 3.0
   42    46    65    38  -0.98800  1.0 1.0
   42    46    65    38   0.48800 -1.0 2.0
   42    46    65    38   0.76800  1.0 3.0
   42    46    52    53  -0.07800  1.0 1.0
   42    46    52    53  -0.21500 -1.0 2.0
   42    46    52    53  -0.03150  1.0 3.0
   43    42    46    50   0.09700  1.0 1.0
   43    42    46    50   0.15600 -1.0 2.0
   43    42    46    50  -0.50800  1.0 3.0
   43    42    46    65   0.09700  1.0 1.0
   43    42    46    65   0.15600 -1.0 2.0
   43    42    46    65  -0.50800  1.0 3.0
   43    42    46    52   0.09700  1.0 1.0
   43    42    46    52   0.15600 -1.0 2.0
   43    42    46    52  -0.50800  1.0 3.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50    54    68   7.00000 -1.0 2.0
   46    65   -38    33   0.60050  1.0 1.0
   46    65   -38    33   0.05600 -1.0 2.0
   46    65   -38    33   0.26150  1.0 3.0
   46    65    38    39   0.30150 -1.0 2.0
   50    46    65    57   0.34400  1.0 1.0
   50    46    65    57   0.09450 -1.0 2.0
   50    46    65    57   0.11100  1.0 3.0
   50    46    65    66   0.15000  1.0 3.0
   50    46    65    38  -0.98800  1.0 1.0
   50    46    65    38   0.48800 -1.0 2.0
   50    46    65    38   0.76800  1.0 3.0
   50    46    52    53  -0.07800  1.0 1.0
   50    46    52    53  -0.21500 -1.0 2.0
   50    46    52    53  -0.03150  1.0 3.0
   50    54    55    56   0.28850  1.0 1.0
   50    54    55    56   2.61350 -1.0 2.0
   50    54    55    56   0.78400  1.0 3.0
   50    54   -55    57  -0.18600  1.0 3.0
   50    54    68    67  -1.65800  1.0 1.0
   50    54    68    67   0.77650 -1.0 2.0
   50    54    68    69   1.00000 -1.0 2.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    68   7.00000 -1.0 2.0
   54    55    56    60   7.00000 -1.0 2.0
   54    55    56    61   7.00000 -1.0 2.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55    57    65   0.98200  1.0 1.0
   54    55    57    65  -0.11900 -1.0 2.0
   54    55    57    65   0.24250  1.0 3.0
   55    54    68    67  -1.65800  1.0 1.0
   55    54    68    67   0.77650 -1.0 2.0
   55    54    68    69   1.00000 -1.0 2.0
   55    56   -60    67   0.15800  1.0 1.0
   55    56   -60    67   1.85350 -1.0 2.0
   55    56   -60    67  -0.48700  1.0 3.0
   55    56    60    77   0.15800  1.0 1.0
   55    56    60    77   1.85350 -1.0 2.0
   55    56    60    77  -0.48700  1.0 3.0
   55    56    61    62   0.00000  1.0 1.0
   55    56    61    63   0.00000  1.0 1.0
   55    56    61    64   0.00000  1.0 1.0
   55    57   -65    46   0.34400  1.0 1.0
   55    57   -65    46   0.09450 -1.0 2.0
   55    57   -65    46   0.11100  1.0 3.0
   55    57    65    66   0.15000  1.0 3.0
   55    57    65    38  -0.98800  1.0 1.0
   55    57    65    38   0.48800 -1.0 2.0
   55    57    65    38   0.76800  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    65   0.09850  1.0 1.0
   56    55    57    65   0.15250 -1.0 2.0
   56    55    57    65  -0.50650  1.0 3.0
   56    60    67    68   3.62500 -1.0 2.0
   56    60    67    70   3.62500 -1.0 2.0
   56    60    77    75   3.62500 -1.0 2.0
   56    60    77    78   3.62500 -1.0 2.0
   60    56    61    62   0.77000  1.0 3.0
   60    56    61    63   0.77000  1.0 3.0
   60    56    61    64   0.77000  1.0 3.0
   60    67   -68    54  -0.11500  1.0 1.0
   60    67   -68    54   1.10450 -1.0 2.0
   60    67   -68    54  -0.48050  1.0 3.0
   60    67    68    69   1.05000 -1.0 2.0
   60    67    70    71   3.62500 -1.0 2.0
   60    67    70    73   3.62500 -1.0 2.0
   67    60    77    75   3.62500 -1.0 2.0
   67    60    77    78   3.62500 -1.0 2.0
   67    70    71    72   3.62500 -1.0 2.0
   67    70   -71    75   3.62500 -1.0 2.0
   67    70    73    74   0.84100 -1.0 2.0
   68    54   -55    56  -0.18600  1.0 3.0
   68    54    55    57   1.08500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   68    67    70    73   3.62500 -1.0 2.0
   70    67    68    54  -0.11500  1.0 1.0
   70    67    68    54   1.10450 -1.0 2.0
   70    67    68    54  -0.48050  1.0 3.0
   70    67    68    69   1.05000 -1.0 2.0
   70    71    75    76   3.62500 -1.0 2.0
   70    71    75    77   3.62500 -1.0 2.0
   71    70    73    74   0.84100 -1.0 2.0
   71    75   -77    60   3.62500 -1.0 2.0
   71    75    77    78   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
   76    75    77    60   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    60    67    68   3.62500 -1.0 2.0
   77    60   -67    70   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    75   3.62500 -1.0 2.0
   61    56    60    67  -0.02500  1.0 1.0
   61    56    60    67  -0.32150 -1.0 2.0
   61    56    60    67  -0.01500  1.0 3.0
   61    56    60    77  -0.02500  1.0 1.0
   61    56    60    77  -0.32150 -1.0 2.0
   61    56    60    77  -0.01500  1.0 3.0
   57    55    56    60   7.00000 -1.0 2.0
   57    55    56    61   7.00000 -1.0 2.0
   57    65    38    33   0.60050  1.0 1.0
   57    65    38    33   0.05600 -1.0 2.0
   57    65    38    33   0.26150  1.0 3.0
   57    65    38    39   0.30150 -1.0 2.0
   58    57    65    46   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    38  -0.11250  1.0 3.0
   59    57    65    46   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    38  -0.11250  1.0 3.0
   65    46    50    51   0.09700  1.0 1.0
   65    46    50    51   0.15600 -1.0 2.0
   65    46    50    51  -0.50800  1.0 3.0
   65    46   -50    54   0.09850  1.0 1.0
   65    46   -50    54   0.15250 -1.0 2.0
   65    46   -50    54  -0.50650  1.0 3.0
   65    46    52    53  -0.11600  1.0 1.0
   65    46    52    53  -0.09450 -1.0 2.0
   65    46    52    53   0.21250  1.0 3.0
   66    65    38    33   0.00000  1.0 1.0
   66    65    38    39   0.00000  1.0 1.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.91850  1.0 1.0
   38    33    40    41   0.57950  1.0 3.0
   52    46    50    51   0.09700  1.0 1.0
   52    46    50    51   0.15600 -1.0 2.0
   52    46    50    51  -0.50800  1.0 3.0
   52    46    50    54   0.67800  1.0 1.0
   52    46    50    54   0.47050 -1.0 2.0
   52    46    50    54  -0.62500  1.0 3.0
   52    46    65    57   0.86500  1.0 1.0
   52    46    65    57  -0.17500 -1.0 2.0
   52    46    65    57   0.20800  1.0 3.0
   52    46    65    66   0.23400  1.0 3.0
   52    46    65    38  -0.09450  1.0 1.0
   52    46    65    38  -1.12950 -1.0 2.0
   52    46    65    38   0.54000  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    47    48   2.45000 -1.0 2.0
   45    44    47    49   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    65   0.55300  1.0 1.0
   40    33    38    65   1.25850 -1.0 2.0
   40    33    38    65  -0.23600  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
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    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   46    51    50    54   1.10000 -1.0 2.0
   55    68    54    50   1.10000 -1.0 2.0
   54    57    55    56   1.10000 -1.0 2.0
   60    61    56    55   1.10000 -1.0 2.0
   67    77    60    56   4.00000 -1.0 2.0
   68    70    67    60   4.00000 -1.0 2.0
   54    67    68    69  10.50000 -1.0 2.0
   71    73    70    67   4.00000 -1.0 2.0
   75    72    71    70   1.10000 -1.0 2.0
   77    76    75    71   1.10000 -1.0 2.0
   75    78    77    60   4.00000 -1.0 2.0
   33    65    38    39  10.50000 -1.0 2.0
   37    47    44    45  10.50000 -1.0 2.0
   49    44    47    48   1.00000 -1.0 2.0
END
