* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    213     408
    1     0 S   NP   _N1_     1    28.68274    93.72796   -21.49042
    2     1 S   H    _HN1     2     1.02819    24.43736   163.86203
    3     1 S   H    _H1_     3     1.02764    94.78376   -71.65909
    4     1 S   H    _H2_     4     1.02962    92.84309    37.08167
    5     1 S   CT   _CA1     5     1.50231   135.11058   159.75667
    6     5 S   HC   _HA1     6     1.09585   105.08812    60.92774
    7     5 S   CO3  _C1_     7     1.53801   112.41078   -58.84140
    8     7 S   O2Z  _O11     8     1.26365   114.98974   -38.41314
    9     7 S   O2Z  _O12     9     1.26255   114.90257   140.13921
   10     5 S   CT   _CB1    10     1.53047   107.28553   178.61323
   11    10 S   HC   HB11    11     1.09818   109.05862   -50.46766
   12    10 S   HC   HB12    12     1.09811   110.42836    65.94334
   13    10 S   CT   _CG1    13     1.53010   112.90608  -171.68932
   14    13 S   HC   HG11    14     1.09584   110.29641   -66.64774
   15    13 S   HC   HG12    15     1.09650   110.11291    52.50939
   16    13 S   C    _CD1    16     1.51896   112.27080   172.40085
   17    16 S   O    _OE1    17     1.22758   123.22432    -8.87095
   18    16 S   N    _N2_    18     1.38630   111.75660   172.25529
   19    18 S   H    _HN2    19     1.01592   118.97918    -0.54429
   20    18 S   CT1  _CA2    20     1.46306   123.40716  -179.40752
   21    20 S   HC   _HA2    21     1.09734   109.34851   -11.15383
   22    20 S   C    _C2_    22     1.53429   108.59096  -126.85428
   23    22 S   O    _O2_    23     1.23031   122.17379  -147.94419
   24    20 S   CT   _CB2    32     1.53457   111.28576   110.86451
   25    24 S   HC   HB21    33     1.09432   109.26498    56.31752
   26    24 S   HC   HB22    34     1.09502   110.77690   174.90138
   27    22 S   N    _N3_    24     1.38492   113.44176    39.57029
   28    27 S   H    _HN3    25     1.01533   118.83927    -1.13090
   29    24 S   S    _SG2    35     1.82806   111.20544   -65.64468
   30    27 S   CT   _CA3    26     1.45448   123.61673   175.15334
   31    30 S   HC   HA31    27     1.09512   109.42227    20.68387
   32    30 S   HC   HA32    28     1.09502   107.08237   137.69895
   33    29 S   CT   _C12    36     1.85949   100.53659   161.39203
   34    33 S   HC   _H3_    37     1.09012   103.20805    48.77833
   35    30 S   CO3  _C3_    29     1.52905   112.96544  -102.92708
   36    35 S   O2Z  _O31    30     1.26412   115.34549   -46.38939
   37    35 S   O2Z  _O32    31     1.26345   115.02497   134.51227
   38    33 S   CM   _C13    38     1.50691   108.23956   -68.08437
   39    38 S   HC   _H9_    39     1.08881   116.44160    93.08637
   40    38 S   CMA  _C14    40     1.34975   124.33884   -92.04022
   41    40 S   OM   _O36    41     1.26287   128.93443  -173.66429
   42    40 S   CT   _C15    42     1.53397   118.84095     5.37852
   43    42 S   HC   _H4_    43     1.09989   109.60633  -128.38615
   44    42 S   CO4  _C16    44     1.54187   113.78030   -11.17394
   45    44 S   O    _O34    45     1.23432   120.66837   157.13425
   46    42 S   CO4  _C17    73     1.53680   109.55608   112.42727
   47    46 S   O    _O35    74     1.23189   122.46814   -63.71805
   48    33 S   CT   _C11    46     1.57590   114.58873   168.77217
   49    46 S   CT   _C18    75     1.50710   116.58904   117.45527
   50    49 S   HC   _H10    76     1.09279   109.47844    60.70741
   51    49 S   HC   _H11    77     1.09246   109.80476   -60.45011
   52    49 S   HC   _H12    78     1.09333   109.68411  -179.94065
   53    48 S   CA   _C9_    47     1.56957   116.72633  -177.47850
   54    48 S   CT   _C19    69     1.54518   110.61765   -56.31313
   55    54 S   HC   _H13    70     1.09463   112.73006    61.25733
   56    54 S   HC   _H14    71     1.09627   110.96788   -59.88515
   57    54 S   HC   _H15    72     1.09670   111.66336  -179.54372
   58    53 S   CA   _C8_    48     1.41729   120.87526  -152.27949
   59    58 S   CA   _C7_    49     1.40756   121.96393   175.42782
   60    58 S   OH   _O37    67     1.37333   118.52287    -4.76818
   61    60 S   HO   _H16    68     0.97278   110.11682  -167.01891
   62    59 S   CA   _C6_    50     1.39662   119.94994     5.03696
   63    59 S   CO4  _C20    61     1.48557   119.65399  -175.33200
   64    63 S   O    _O38    62     1.22840   119.21387   -48.79032
   65    62 S   CA   _C5_    51     1.40141   120.40356     1.45172
   66    62 S   OH   _O39    59     1.37030   118.22062   178.85705
   67    66 S   HO   _H20    60     0.97068   109.80086   161.04279
   68    63 S   CT   _C21    63     1.50610   118.80734   129.40700
   69    68 S   HC   _H17    64     1.09265   109.66878   104.99358
   70    68 S   HC   _H18    65     1.09341   111.41999   -16.85488
   71    68 S   HC   _H19    66     1.09404   108.79111  -135.11725
   72    53 S   CA   _C10    52     1.41670   123.28772    30.45661
   73    65 S   CT   _C4_    55     1.50884   120.69916   174.93469
   74    73 S   HC   _H5_    56     1.09401   110.00002    89.63497
   75    73 S   HC   _H6_    57     1.09476   111.74975  -148.89904
   76    73 S   HC   _H7_    58     1.09480   111.61611   -31.75633
   77    72 S   OH   _O33    53     1.37089   118.79487     3.08775
   78    77 S   HO   _H8_    54     0.97119   109.33925  -149.55012
  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
  16   7   2   1   1  10   4   9   4  12   6  12   4   6   4  11
   3   2   1   1  15   5   2   1   1  11  14   4   1  12   7   4
   9   3   1   3   2   1   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    48    53    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    48    53    58    72    54    55    56    57  
   38    39    40    44    48    53    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    48    53    54    46  
   40    41    42    48  
   41    42    43    44    45    48    46    47    49  
   42    43    44    46  
   43    44    45    48    53    54    46    47    49    50    51    52  
   44    45    48    46    47    49  
   45    48    53    58    72    54    55    56    57    46    47    49  
   48    53    54    46  
   47    49    50    51    52    48  
   49    50    51    52  
   53    58    59    65    72    77    60    54    55    56    57  
   50    51    52  
   51    52  
   52  
    0  
   58    59    62    65    72    77    78    73    63    60    61    54    55    56    57  
   55    56    57    58    72  
   56    57  
   57  
    0  
   59    62    65    72    77    66    63    64    68    60    61  
   62    65    72    73    66    67    63    64    68    69    70    71    60    61  
   61    62    63    72  
    0  
   65    72    77    73    74    75    76    66    67    63    64    68  
   64    68    69    70    71    65    66  
   68    69    70    71  
   72    77    78    73    74    75    76    66    67  
   67    72    73  
    0  
   69    70    71  
   70    71  
   71  
    0  
   77    78    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    48   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    53   317.000  1.510
   48    54   268.000  1.529
   53    58   469.000  1.400
   53    72   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    62   469.000  1.400
   59    63   310.000  1.470
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    72   469.000  1.400
   65    73   317.000  1.510
   72    77   450.000  1.364
   77    78   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   60    61   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   46    47   570.000  1.229
   46    49   317.000  1.522
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    48    44    63.00000  111.10000
   33    48    53    70.00000  112.17500
   33    48    54    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    70.00000  109.06800
   40    42    46    70.00000  109.06800
   42    40    41    85.00000  112.85300
   42    44    45    80.00000  120.40000
   42    44    48    70.00000  116.00000
   42    46    47    80.00000  120.40000
   42    46    49    70.00000  116.00000
   44    42    43    35.00000  109.50000
   44    48    53    70.00000  110.93000
   44    48    54    63.00000  111.10000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    44    45    80.00000  120.40000
   48    53    58    70.00000  120.00000
   48    53    72    70.00000  120.00000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    57    37.50000  110.70000
   53    58    59    63.00000  120.00000
   53    58    60    70.00000  120.00000
   53    72    65    63.00000  120.00000
   53    72    77    70.00000  120.00000
   58    59    62    63.00000  120.00000
   58    59    63    60.00000  119.52600
   58    60    61    35.00000  113.00000
   59    62    65    63.00000  120.00000
   59    62    66    70.00000  120.00000
   59    63    64    75.00000  123.78400
   59    63    68    65.00000  115.47100
   62    65    72    63.00000  120.00000
   62    65    73    70.00000  120.00000
   62    66    67    35.00000  113.00000
   65    72    77    70.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   72    53    58    63.00000  120.00000
   72    77    78    35.00000  113.00000
   73    65    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    62    65    70.00000  120.00000
   63    59    62    60.00000  119.52600
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   68    63    64    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    58    59    70.00000  120.00000
   54    48    53    70.00000  112.17500
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    75.00000  107.99600
   46    49    50    35.00000  109.50000
   46    49    51    35.00000  109.50000
   46    49    52    35.00000  109.50000
   49    46    47    80.00000  120.40000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    48    44   0.56750  1.0 1.0
   29    33    48    44  -0.07550 -1.0 2.0
   29    33    48    44   0.20000  1.0 3.0
   29    33    48    53   0.56750  1.0 1.0
   29    33    48    53  -0.07550 -1.0 2.0
   29    33    48    53   0.20000  1.0 3.0
   29    33    48    54   0.44750  1.0 1.0
   29    33    48    54  -0.17800 -1.0 2.0
   29    33    48    54   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    48    53    58   0.04150 -1.0 2.0
   33    48    53    72   0.04150 -1.0 2.0
   33    48    54    55   0.15000  1.0 3.0
   33    48    54    56   0.15000  1.0 3.0
   33    48    54    57   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    48    44  -0.11250  1.0 3.0
   34    33    48    53   0.43200  1.0 3.0
   34    33    48    54   0.15000  1.0 3.0
   38    33    48    44  -0.98800  1.0 1.0
   38    33    48    44   0.48800 -1.0 2.0
   38    33    48    44   0.76800  1.0 3.0
   38    33    48    53   0.21200  1.0 1.0
   38    33    48    53   0.16900 -1.0 2.0
   38    33    48    53  -1.15100  1.0 3.0
   38    33    48    54   0.34400  1.0 1.0
   38    33    48    54   0.09450 -1.0 2.0
   38    33    48    54   0.11100  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44  -0.51250  1.0 1.0
   38    40   -42    44  -0.88800 -1.0 2.0
   38    40   -42    44   0.08850  1.0 3.0
   38    40    42    46  -0.51250  1.0 1.0
   38    40    42    46  -0.88800 -1.0 2.0
   38    40    42    46   0.08850  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   0.30150 -1.0 2.0
   40    42    44    48   0.65300  1.0 1.0
   40    42    44    48  -0.03850 -1.0 2.0
   40    42    44    48   0.33900  1.0 3.0
   40    42    46    47   0.30150 -1.0 2.0
   40    42    46    49   0.65300  1.0 1.0
   40    42    46    49  -0.03850 -1.0 2.0
   40    42    46    49   0.33900  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.09700  1.0 1.0
   41    40    42    44   0.15600 -1.0 2.0
   41    40    42    44  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   42    44   -48    33   0.60050  1.0 1.0
   42    44   -48    33   0.05600 -1.0 2.0
   42    44   -48    33   0.26150  1.0 3.0
   42    44    48    53   0.65300  1.0 1.0
   42    44    48    53  -0.03850 -1.0 2.0
   42    44    48    53   0.33900  1.0 3.0
   42    44    48    54   0.60050  1.0 1.0
   42    44    48    54   0.05600 -1.0 2.0
   42    44    48    54   0.26150  1.0 3.0
   42    46    49    50   0.00000  1.0 1.0
   42    46    49    51   0.00000  1.0 1.0
   42    46    49    52   0.00000  1.0 1.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    42    46    47   0.30150 -1.0 2.0
   44    42    46    49   0.65300  1.0 1.0
   44    42    46    49  -0.03850 -1.0 2.0
   44    42    46    49   0.33900  1.0 3.0
   44    48    53    58   0.04300 -1.0 2.0
   44    48    53    72   0.04300 -1.0 2.0
   44    48    54    55  -0.11250  1.0 3.0
   44    48    54    56  -0.11250  1.0 3.0
   44    48    54    57  -0.11250  1.0 3.0
   45    44    48    33   0.30150 -1.0 2.0
   45    44    48    53   0.30150 -1.0 2.0
   45    44    48    54   0.30150 -1.0 2.0
   48    33    38    39   0.00000  1.0 1.0
   48    33   -38    40   0.09850  1.0 1.0
   48    33   -38    40   0.15250 -1.0 2.0
   48    33   -38    40  -0.50650  1.0 3.0
   48    53    58    59   3.62500 -1.0 2.0
   48    53    58    60   3.62500 -1.0 2.0
   48    53    72    65   3.62500 -1.0 2.0
   48    53    72    77   3.62500 -1.0 2.0
   53    48    54    55   0.43200  1.0 3.0
   53    48    54    56   0.43200  1.0 3.0
   53    48    54    57   0.43200  1.0 3.0
   53    58    59    62   3.62500 -1.0 2.0
   53    58    59    63   3.62500 -1.0 2.0
   53    58    60    61   0.84100 -1.0 2.0
   53    72    77    78   0.84100 -1.0 2.0
   58    53    72    65   3.62500 -1.0 2.0
   58    53    72    77   3.62500 -1.0 2.0
   58    59   -62    65   3.62500 -1.0 2.0
   58    59    62    66   3.62500 -1.0 2.0
   58    59    63    64   1.05000 -1.0 2.0
   58    59    63    68   2.26350  1.0 1.0
   58    59    63    68   0.76750 -1.0 2.0
   58    59    63    68   0.22500  1.0 3.0
   59    58    60    61   0.84100 -1.0 2.0
   59    62    65    72   3.62500 -1.0 2.0
   59    62    65    73   3.62500 -1.0 2.0
   59    62    66    67   0.84100 -1.0 2.0
   59    63    68    69   0.00000  1.0 1.0
   59    63    68    70   0.00000  1.0 1.0
   59    63    68    71   0.00000  1.0 1.0
   62    59    63    64   1.05000 -1.0 2.0
   62    59    63    68   2.26350  1.0 1.0
   62    59    63    68   0.76750 -1.0 2.0
   62    59    63    68   0.22500  1.0 3.0
   62    65   -72    53   3.62500 -1.0 2.0
   62    65    72    77   3.62500 -1.0 2.0
   62    65    73    74   0.00000  1.0 1.0
   62    65    73    75   0.00000  1.0 1.0
   62    65    73    76   0.00000  1.0 1.0
   65    62    66    67   0.84100 -1.0 2.0
   65    72    77    78   0.84100 -1.0 2.0
   72    53   -58    59   3.62500 -1.0 2.0
   72    53    58    60   3.62500 -1.0 2.0
   72    65    73    74   0.00000  1.0 1.0
   72    65    73    75   0.00000  1.0 1.0
   72    65    73    76   0.00000  1.0 1.0
   73    65    72    53   3.62500 -1.0 2.0
   73    65    72    77   3.62500 -1.0 2.0
   66    62    65    72   3.62500 -1.0 2.0
   66    62    65    73   3.62500 -1.0 2.0
   63    59    62    65   3.62500 -1.0 2.0
   63    59    62    66   3.62500 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    71   0.00000  1.0 1.0
   60    58    59    62   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   54    48    53    58   0.04150 -1.0 2.0
   54    48    53    72   0.04150 -1.0 2.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    48   0.65300  1.0 1.0
   46    42    44    48  -0.03850 -1.0 2.0
   46    42    44    48   0.33900  1.0 3.0
   47    46    49    50   0.00000  1.0 1.0
   47    46    49    51   0.00000  1.0 1.0
   47    46    49    52   0.00000  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   42    48    44    45  10.50000 -1.0 2.0
   58    72    53    48   4.00000 -1.0 2.0
   59    60    58    53   4.00000 -1.0 2.0
   62    63    59    58   4.00000 -1.0 2.0
   65    66    62    59   4.00000 -1.0 2.0
   72    73    65    62   4.00000 -1.0 2.0
   65    77    72    53   4.00000 -1.0 2.0
   59    68    63    64  10.50000 -1.0 2.0
   42    49    46    47  10.50000 -1.0 2.0
END
