* LIGAND DATABASE FILE (OPLS2005)
*
001      80    84    155    259     458
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02100    64.86524  -103.64887
    3     1 S   H    _H1_     3     1.02102   105.56308     0.02798
    4     1 S   H    _H2_     4     1.02060    47.64455   101.36867
    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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C21    36     1.83583   100.35787   159.98367
   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   _C19    37     1.48661   110.03474   -80.02179
   38    33 S   CT   _C22    75     1.53259   108.20121   158.89366
   39    38 S   HC   _H16    76     1.09733   111.58917   -59.35450
   40    38 S   HC   _H17    77     1.09734   110.45525    58.08586
   41    38 S   HC   _H18    78     1.09675   112.39362   178.37924
   42    33 S   OH   _O35    79     1.42794   111.35996    41.01613
   43    42 S   HO   _H19    80     0.97341   107.29363   178.40455
   44    37 S   CMA  _C20    38     1.34776   129.84013   120.38265
   45    44 S   OM   _O34    39     1.25670   133.66876    -3.02019
   46    44 S   CT   _C17    40     1.51342   110.81220  -176.98734
   47    46 S   HC   _H5_    41     1.10080   108.85864   103.62112
   48    46 S   CT   _C16    42     1.54843   126.59246  -124.68813
   49    48 S   HC   _H4_    43     1.10000   106.34387  -148.62922
   50    46 S   N    _N5_    64     1.46650   101.22553    -8.29484
   51    48 S   C5B  _C14    44     1.47831   124.92905   -25.77595
   52    37 S   C    _C18    65     1.48012   121.29516   -61.91617
   53    52 S   O    _O33    66     1.22014   123.90908    -2.09312
   54    51 S   CR3  _C13    45     1.44847   115.81008   156.12252
   55    51 S   C5A  _C15    56     1.46088   137.77996   -46.45696
   56    55 S   HA   _H14    57     1.09232   124.92716    15.75331
   57    54 S   CA   _C8_    46     1.37922   128.25899    -7.80293
   58    57 S   CA   _C9_    47     1.39309   115.70939   177.23912
   59    58 S   HA   _H11    48     1.08735   120.37461  -179.35199
   60    57 S   CT   _C7_    58     1.50921   118.03267     1.00949
   61    60 S   HC   _H9_    59     1.09543   108.42773    98.27270
   62    60 S   HC   _H10    60     1.09518   109.79282  -143.41597
   63    58 S   CA   _C10    49     1.42019   120.39807    -0.13562
   64    63 S   HA   _H12    50     1.08776   118.85047  -179.82868
   65    48 S   CT   _C6_    61     1.57231   103.12786    98.32316
   66    65 S   HC   _H3_    62     1.10592   106.68331   -75.87501
   67    63 S   CA   _C11    51     1.40781   122.04345    -1.27978
   68    67 S   HA   _H13    52     1.08320   120.90648  -177.85452
   69    65 S   CT   _C5_    63     1.54458   103.14705    36.94534
   70    54 S   CN   _C12    53     1.38797   106.93380   168.10006
   71    69 S   CT   _C4_    67     1.53485   110.49894    79.75905
   72    71 S   HC   _H6_    68     1.08587   109.44385  -180.00000
   73    71 S   HC   _H7_    69     1.08652   109.37270    60.04623
   74    71 S   HC   _H8_    70     1.08595   109.45483   -59.94877
   75    69 S   CT   _C23    71     1.53523   114.58263  -157.58953
   76    75 S   HC   _H20    72     1.08681   109.41167   179.96044
   77    75 S   HC   _H21    73     1.08635   109.40558    60.04973
   78    75 S   HC   _H22    74     1.08558   109.40807   -59.97687
   79    70 S   NA   _N4_    54     1.40279   109.20915    -1.91070
   80    79 S   H    _H15    55     1.01781   123.49011  -177.35181
  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  10   5   4   3
  13   2   1   1  15   7   3   2   1   3   1  11   5  15   7  18
   8  15  13   5   1  15   7   3  13  10   4   9   4   3   5   3
  10   3   4   2   8   2   7   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    44    52    38    39    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    44    45    46    50    52    53    38    39    40    41    42    43  
   35    36  
   36  
    0  
   44    45    46    47    48    69    50    52    53    38    39    40    41    42    43  
   39    40    41    42    43    44    52  
   40    41    42  
   41    42  
   42  
   43    44    52  
    0  
   45    46    47    48    49    51    65    69    50    52    53  
   46    47    48    50    52  
   47    48    49    51    54    55    60    65    66    69    50    52    53    71    75  
   48    49    51    65    69    50    52  
   49    51    54    57    70    79    55    56    60    61    62    65    66    69    50    52    71    75  
   51    54    55    60    65    66    69    50  
   52    53    71    72    73    74    75    76    77    78    51    60    65    66    69  
   54    57    58    67    70    79    80    55    56    60    65    66    69  
   53    71    75    65    69  
   69  
   57    58    59    63    67    68    70    79    80    55    56    60    61    62    65  
   56    65    57    67    70    79    80  
   70    79    80  
   58    59    63    64    67    70    79    60    61    62    65    66    69  
   59    63    64    67    68    70    60    61    62    65  
   63    64    67    60  
   61    62    65    66    69    71    75    63    70  
   62    65    66    69  
   65    66    69  
   64    67    68    70    79  
   67    68    70  
   66    69    71    72    73    74    75    76    77    78  
   69    71    75  
   68    70    79    80  
   70    79  
   71    72    73    74    75    76    77    78  
   79    80  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.432500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660   0.010000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.004100   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.140000   1.8100   1.6000   0.054801302  -1.445846770
   51   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.107200   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.192900   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.169400   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.070000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   80   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    42   320.000  1.410
   37    44   465.000  1.376
   37    52   410.000  1.444
   44    45   745.000  1.250
   44    46   270.000  1.512
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   337.000  1.449
   48    49   340.000  1.090
   48    51   295.000  1.494
   48    65   268.000  1.529
   51    54   400.000  1.418
   51    55   520.000  1.370
   54    57   490.000  1.398
   54    70   480.000  1.377
   57    58   469.000  1.400
   57    60   317.000  1.510
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   67    70   485.000  1.374
   70    79   450.000  1.364
   79    80   434.000  1.010
   79    55   427.000  1.381
   55    56   367.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   65    69   268.000  1.529
   69    50   337.000  1.449
   69    71   268.000  1.529
   69    75   268.000  1.529
   50    52   490.000  1.335
   52    53   570.000  1.229
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   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  111.63000
   29    33    42    85.00000  114.68000
   33    37    44    70.00000  124.00000
   33    37    52    70.00000  119.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    55.00000  108.50000
   37    44    45    65.00000  137.10300
   37    44    46    65.00000  122.18000
   37    52    50    80.00000  111.56200
   37    52    53    80.00000  125.30000
   44    46    47    45.00000  110.52000
   44    46    48    70.00000  112.02700
   44    46    50    75.00000  110.78400
   46    44    45    85.00000  112.85300
   46    48    49    37.50000  110.70000
   46    48    51    70.00000  112.62400
   46    48    65    58.35000  112.70000
   46    50    69    50.00000  118.00000
   46    50    52    50.00000  121.90000
   48    46    47    37.50000  110.70000
   48    51    54    80.00000  105.07000
   48    51    55    55.00000  127.77900
   48    65    60    58.35000  112.70000
   48    65    66    37.50000  110.70000
   48    65    69    58.35000  112.70000
   51    48    49    45.00000  111.11700
   51    54    57    50.00000  136.08700
   51    54    70    80.00000  108.23900
   51    55    79    70.00000  106.30000
   51    55    56    35.00000  130.70000
   54    57    58    70.00000  112.88000
   54    57    60    80.00000  105.07000
   54    70    67    70.00000  112.88000
   54    70    79    90.00000  107.25500
   57    58    59    35.00000  120.00000
   57    58    63    63.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    62    35.00000  109.50000
   57    60    65    70.00000  112.17500
   58    63    64    35.00000  120.00000
   58    63    67    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    67    68    35.00000  120.00000
   63    67    70    65.00000  119.97700
   67    63    64    35.00000  120.00000
   67    70    79    65.00000  126.13900
   70    54    57    70.00000  117.96600
   70    67    68    40.00000  120.02000
   70    79    80    35.00000  121.00000
   70    79    55    85.00000  109.59900
   79    55    56    35.00000  121.60000
   55    51    54    80.00000  108.23900
   55    79    80    35.00000  120.00000
   60    57    58    70.00000  120.00000
   60    65    66    37.50000  110.70000
   60    65    69    58.35000  112.70000
   62    60    61    33.00000  107.80000
   65    48    49    37.50000  110.70000
   65    48    51    70.00000  112.62400
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    69    50    70.00000  110.72300
   65    69    71    58.35000  112.70000
   65    69    75    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    50    52    50.00000  121.90000
   69    71    72    37.50000  110.70000
   69    71    73    37.50000  110.70000
   69    71    74    37.50000  110.70000
   69    75    76    37.50000  110.70000
   69    75    77    37.50000  110.70000
   69    75    78    37.50000  110.70000
   50    46    47    35.00000  109.50000
   50    46    48    70.00000  110.72300
   50    52    53    80.00000  122.90000
   52    37    44    60.00000  120.04000
   71    69    50    70.00000  110.72300
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    69    50    70.00000  110.72300
   75    69    71    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   38    33    37    70.00000  112.02700
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    90.00000  110.39200
   42    33    38    50.00000  109.50000
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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   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    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    37    52   0.09700  1.0 1.0
   29    33    37    52   0.15600 -1.0 2.0
   29    33    37    52  -0.50800  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.35600  1.0 1.0
   29    33    42    43  -0.10750 -1.0 2.0
   29    33    42    43  -0.54400  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    46   7.00000 -1.0 2.0
   33    37    52    50   1.59650  1.0 1.0
   33    37    52    50   0.42750 -1.0 2.0
   33    37    52    50  -0.48350  1.0 3.0
   33    37    52    53  -0.64400  1.0 1.0
   33    37    52    53   0.26850 -1.0 2.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43  -0.07800  1.0 1.0
   37    33    42    43  -0.21500 -1.0 2.0
   37    33    42    43  -0.03150  1.0 3.0
   37    44    46    47   0.00000  1.0 1.0
   37    44    46    48   0.09850  1.0 1.0
   37    44    46    48   0.15250 -1.0 2.0
   37    44    46    48  -0.50650  1.0 3.0
   37    44   -46    50   0.62150  1.0 1.0
   37    44   -46    50   0.42850 -1.0 2.0
   37    44   -46    50  -0.68200  1.0 3.0
   44    37   -52    50   0.49500  1.0 1.0
   44    37   -52    50   1.31600 -1.0 2.0
   44    37   -52    50  -0.02300  1.0 3.0
   44    37    52    53   1.00000 -1.0 2.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    51   0.21200  1.0 1.0
   44    46    48    51   0.16900 -1.0 2.0
   44    46    48    51  -1.15100  1.0 3.0
   44    46    48    65   0.34400  1.0 1.0
   44    46    48    65   0.09450 -1.0 2.0
   44    46    48    65   0.11100  1.0 3.0
   44    46    50    69   0.17850 -1.0 2.0
   44    46   -50    52  -0.19250  1.0 1.0
   44    46   -50    52  -0.00500 -1.0 2.0
   44    46   -50    52   0.17000  1.0 3.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.09700  1.0 1.0
   45    44    46    48   0.15600 -1.0 2.0
   45    44    46    48  -0.50800  1.0 3.0
   45    44    46    50   0.09700  1.0 1.0
   45    44    46    50   0.15600 -1.0 2.0
   45    44    46    50  -0.50800  1.0 3.0
   46    48    51    54   0.04150 -1.0 2.0
   46    48    51    55   0.04150 -1.0 2.0
   46    48    65    60   0.56750  1.0 1.0
   46    48    65    60  -0.07550 -1.0 2.0
   46    48    65    60   0.20000  1.0 3.0
   46    48    65    66   0.15000  1.0 3.0
   46    48   -65    69   0.56750  1.0 1.0
   46    48   -65    69  -0.07550 -1.0 2.0
   46    48   -65    69   0.20000  1.0 3.0
   46    50   -52    37   1.49850  1.0 1.0
   46    50   -52    37   1.53950 -1.0 2.0
   46    50    52    53   3.04450 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    51   0.43200  1.0 3.0
   47    46    48    65   0.15000  1.0 3.0
   47    46    50    69   0.00000  1.0 1.0
   47    46    50    52   0.00000  1.0 1.0
   48    46   -50    69  -0.05900 -1.0 2.0
   48    46    50    52  -0.43950  1.0 1.0
   48    46    50    52  -0.08100 -1.0 2.0
   48    46    50    52   0.03350  1.0 3.0
   48    51    54    57   3.62500 -1.0 2.0
   48    51    54    70   3.62500 -1.0 2.0
   48    51    55    79   3.62500 -1.0 2.0
   48    51    55    56   3.62500 -1.0 2.0
   48    65   -69    50   0.43900  1.0 1.0
   48    65   -69    50   0.49100 -1.0 2.0
   48    65   -69    50   0.28400  1.0 3.0
   48    65    69    71   0.56750  1.0 1.0
   48    65    69    71  -0.07550 -1.0 2.0
   48    65    69    71   0.20000  1.0 3.0
   48    65    69    75   0.56750  1.0 1.0
   48    65    69    75  -0.07550 -1.0 2.0
   48    65    69    75   0.20000  1.0 3.0
   49    48    51    54   0.00000  1.0 1.0
   49    48    51    55   0.00000  1.0 1.0
   49    48    65    60   0.15000  1.0 3.0
   49    48    65    66   0.15000  1.0 3.0
   49    48    65    69   0.15000  1.0 3.0
   51    48    65    60  -0.03700  1.0 1.0
   51    48    65    60   0.37200 -1.0 2.0
   51    48    65    60  -0.47300  1.0 3.0
   51    48    65    66   0.43200  1.0 3.0
   51    48    65    69  -0.03700  1.0 1.0
   51    48    65    69   0.37200 -1.0 2.0
   51    48    65    69  -0.47300  1.0 3.0
   51    54    57    58   3.62500 -1.0 2.0
   51    54   -57    60   3.62500 -1.0 2.0
   51    54    70    67   3.62500 -1.0 2.0
   51    54   -70    79   3.62500 -1.0 2.0
   54    51   -55    79   3.62500 -1.0 2.0
   54    51    55    56   3.62500 -1.0 2.0
   54    57    58    59   3.62500 -1.0 2.0
   54    57    58    63   3.62500 -1.0 2.0
   54    57    60    61   0.00000  1.0 1.0
   54    57    60    62   0.00000  1.0 1.0
   54    57    60    65   0.04150 -1.0 2.0
   54    70    79    80   2.00000 -1.0 2.0
   54    70   -79    55   3.62500 -1.0 2.0
   57    54    70    67   3.62500 -1.0 2.0
   57    54    70    79   3.62500 -1.0 2.0
   57    58    63    64   3.62500 -1.0 2.0
   57    58   -63    67   3.62500 -1.0 2.0
   57    60   -65    48  -0.03700  1.0 1.0
   57    60   -65    48   0.37200 -1.0 2.0
   57    60   -65    48  -0.47300  1.0 3.0
   57    60    65    66   0.43200  1.0 3.0
   57    60    65    69  -0.03700  1.0 1.0
   57    60    65    69   0.37200 -1.0 2.0
   57    60    65    69  -0.47300  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    62   0.00000  1.0 1.0
   58    57    60    65   0.04150 -1.0 2.0
   58    63    67    68   3.62500 -1.0 2.0
   58    63    67    70   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    67   3.62500 -1.0 2.0
   63    67   -70    54   3.62500 -1.0 2.0
   63    67    70    79   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   64    63    67    70   3.62500 -1.0 2.0
   67    70    79    80   2.00000 -1.0 2.0
   67    70    79    55   3.62500 -1.0 2.0
   68    67    70    54   3.62500 -1.0 2.0
   68    67    70    79   3.62500 -1.0 2.0
   70    54   -57    58   3.62500 -1.0 2.0
   70    54    57    60   3.62500 -1.0 2.0
   70    79   -55    51   3.62500 -1.0 2.0
   70    79    55    56   3.62500 -1.0 2.0
   80    79    55    51   1.40000 -1.0 2.0
   80    79    55    56   2.00000 -1.0 2.0
   55    51    54    57   3.62500 -1.0 2.0
   55    51   -54    70   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    63   3.62500 -1.0 2.0
   60    65    69    50   0.43900  1.0 1.0
   60    65    69    50   0.49100 -1.0 2.0
   60    65    69    50   0.28400  1.0 3.0
   60    65    69    71   0.56750  1.0 1.0
   60    65    69    71  -0.07550 -1.0 2.0
   60    65    69    71   0.20000  1.0 3.0
   60    65    69    75   0.56750  1.0 1.0
   60    65    69    75  -0.07550 -1.0 2.0
   60    65    69    75   0.20000  1.0 3.0
   61    60    65    48   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   61    60    65    69   0.15000  1.0 3.0
   62    60    65    48   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   62    60    65    69   0.15000  1.0 3.0
   65    48   -51    54   0.04150 -1.0 2.0
   65    48    51    55   0.04150 -1.0 2.0
   65    69   -50    46  -0.05900 -1.0 2.0
   65    69    50    52  -0.43950  1.0 1.0
   65    69    50    52  -0.08100 -1.0 2.0
   65    69    50    52   0.03350  1.0 3.0
   65    69    71    72   0.15000  1.0 3.0
   65    69    71    73   0.15000  1.0 3.0
   65    69    71    74   0.15000  1.0 3.0
   65    69    75    76   0.15000  1.0 3.0
   65    69    75    77   0.15000  1.0 3.0
   65    69    75    78   0.15000  1.0 3.0
   66    65    69    50   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    75   0.15000  1.0 3.0
   69    50    52    37   1.49850  1.0 1.0
   69    50    52    37   1.53950 -1.0 2.0
   69    50    52    53   3.04450 -1.0 2.0
   50    46    48    49   0.15000  1.0 3.0
   50    46    48    51   0.08550  1.0 1.0
   50    46    48    51   1.07500 -1.0 2.0
   50    46    48    51  -0.10950  1.0 3.0
   50    46   -48    65   0.43900  1.0 1.0
   50    46   -48    65   0.49100 -1.0 2.0
   50    46   -48    65   0.28400  1.0 3.0
   50    69    71    72   0.15000  1.0 3.0
   50    69    71    73   0.15000  1.0 3.0
   50    69    71    74   0.15000  1.0 3.0
   50    69    75    76   0.15000  1.0 3.0
   50    69    75    77   0.15000  1.0 3.0
   50    69    75    78   0.15000  1.0 3.0
   52    37    44    45   7.00000 -1.0 2.0
   52    37   -44    46   7.00000 -1.0 2.0
   71    69    50    46  -0.05900 -1.0 2.0
   71    69    50    52  -0.43950  1.0 1.0
   71    69    50    52  -0.08100 -1.0 2.0
   71    69    50    52   0.03350  1.0 3.0
   71    69    75    76   0.15000  1.0 3.0
   71    69    75    77   0.15000  1.0 3.0
   71    69    75    78   0.15000  1.0 3.0
   75    69    50    46  -0.05900 -1.0 2.0
   75    69    50    52  -0.43950  1.0 1.0
   75    69    50    52  -0.08100 -1.0 2.0
   75    69    50    52   0.03350  1.0 3.0
   75    69    71    72   0.15000  1.0 3.0
   75    69    71    73   0.15000  1.0 3.0
   75    69    71    74   0.15000  1.0 3.0
   38    33    37    44   0.09850  1.0 1.0
   38    33    37    44   0.15250 -1.0 2.0
   38    33    37    44  -0.50650  1.0 3.0
   38    33    37    52   0.09700  1.0 1.0
   38    33    37    52   0.15600 -1.0 2.0
   38    33    37    52  -0.50800  1.0 3.0
   38    33    42    43  -0.11600  1.0 1.0
   38    33    42    43  -0.09450 -1.0 2.0
   38    33    42    43   0.21250  1.0 3.0
   42    33    37    44   0.67800  1.0 1.0
   42    33    37    44   0.47050 -1.0 2.0
   42    33    37    44  -0.62500  1.0 3.0
   42    33    37    52   0.09700  1.0 1.0
   42    33    37    52   0.15600 -1.0 2.0
   42    33    37    52  -0.50800  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  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    52    37    44   1.10000 -1.0 2.0
   46    45    44    37   1.10000 -1.0 2.0
   54    55    51    48   4.00000 -1.0 2.0
   57    70    54    51   4.00000 -1.0 2.0
   58    60    57    54   4.00000 -1.0 2.0
   63    59    58    57   1.10000 -1.0 2.0
   67    64    63    58   1.10000 -1.0 2.0
   70    68    67    63   1.10000 -1.0 2.0
   67    79    70    54   4.00000 -1.0 2.0
   80    70    79    55   1.00000 -1.0 2.0
   79    56    55    51   1.10000 -1.0 2.0
   69    52    50    46   1.00000 -1.0 2.0
   37    50    52    53  10.50000 -1.0 2.0
END
