* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    204     394
    1     0 S   NP   _N1_     1    28.87766    97.73661   -19.91326
    2     1 S   H    _HN1     2     1.02777    78.53746   -78.39511
    3     1 S   H    _H1_     3     1.02961    76.23194    33.99440
    4     1 S   H    _H2_     4     1.02837    52.73073   158.31797
    5     1 S   CT   _CA1     5     1.50147   163.27506   149.44785
    6     5 S   HC   _HA1     6     1.09566   105.21029    66.68088
    7     5 S   CO3  _C1_     7     1.53793   112.52494   -53.54538
    8     7 S   O2Z  _O11     8     1.26364   114.96406   -38.29753
    9     7 S   O2Z  _O12     9     1.26234   115.00430   140.98234
   10     5 S   CT   _CB1    10     1.53109   107.43917  -175.21787
   11    10 S   HC   HB11    11     1.09823   109.38781   -48.77244
   12    10 S   HC   HB12    12     1.09821   110.37512    67.82697
   13    10 S   CT   _CG1    13     1.53002   112.70610  -169.81331
   14    13 S   HC   HG11    14     1.09530   110.57056   -63.68301
   15    13 S   HC   HG12    15     1.09660   109.92492    55.46273
   16    13 S   C    _CD1    16     1.51818   112.36955   175.67777
   17    16 S   O    _OE1    17     1.22709   123.27695    -2.83269
   18    16 S   N    _N2_    18     1.38611   111.58175   177.72583
   19    18 S   H    _HN2    19     1.01583   118.97343     0.51434
   20    18 S   CT1  _CA2    20     1.46192   123.48524   178.26652
   21    20 S   HC   _HA2    21     1.09734   109.45680    -5.75425
   22    20 S   C    _C2_    22     1.53525   108.27180  -121.24848
   23    22 S   O    _O2_    23     1.23023   122.21275  -145.58192
   24    20 S   CT   _CB2    32     1.53329   111.51271   116.47171
   25    24 S   HC   HB21    33     1.09592   109.98106    53.92058
   26    24 S   HC   HB22    34     1.09471   110.07429   173.02439
   27    22 S   N    _N3_    24     1.38495   113.46593    41.74417
   28    27 S   H    _HN3    25     1.01506   118.95714    -0.66998
   29    24 S   S    _SG2    35     1.82757   111.72787   -67.33010
   30    27 S   CT   _CA3    26     1.45472   123.60035   175.29564
   31    30 S   HC   HA31    27     1.09511   109.44151    20.19302
   32    30 S   HC   HA32    28     1.09502   107.06305   137.22482
   33    29 S   CT   _C18    36     1.82943    99.67020   167.41864
   34    33 S   HC   _H4_    37     1.09486   109.08174   -52.61563
   35    30 S   CO3  _C3_    29     1.52916   113.00259  -103.43407
   36    35 S   O2Z  _O31    30     1.26415   115.36537   -45.07843
   37    35 S   O2Z  _O32    31     1.26351   115.00652   135.83008
   38    33 S   CO4  _C17    38     1.50643   109.68026    64.40537
   39    38 S   O    _O33    39     1.22730   122.68922   -98.27847
   40    38 S   CA   _C16    40     1.47354   116.37788    78.18041
   41    40 S   CA   _C11    41     1.40858   117.69556    27.05334
   42    41 S   CA   _C12    42     1.41673   116.01073  -175.00099
   43    41 S   CMA  _C10    52     1.52639   120.93848     7.91158
   44    43 S   OM   _O36    53     1.26838   118.94468   156.07088
   45    42 S   CA   _C13    43     1.39925   122.26934    -0.96144
   46    45 S   HA   _H11    44     1.08680   120.24146   180.00000
   47    42 S   OH   _O35    50     1.37364   122.99279   178.59933
   48    47 S   HO   _H14    51     0.97561   107.34750     5.18822
   49    33 S   CM   _C9_    54     1.51400   111.01833  -174.00485
   50    45 S   CA   _C14    45     1.38829   120.06461    -0.42244
   51    50 S   HA   _H12    46     1.08617   119.91364  -179.67857
   52    49 S   CT   _C8_    55     1.54335   114.95014    91.93772
   53    52 S   HC   _H3_    56     1.09610   109.99852  -165.69065
   54    40 S   CA   _C15    47     1.40569   120.42081  -149.83105
   55    52 S   CT   _C7_    57     1.54164   111.05884    73.29569
   56    55 S   HC   _H9_    58     1.09777   109.91823    46.69411
   57    55 S   HC   _H10    59     1.09404   110.81996   -70.27415
   58    52 S   OS   _O37    71     1.44883   108.62322   -46.39311
   59    54 S   OH   _O34    48     1.36883   123.34641    -3.38269
   60    59 S   HO   _H13    49     0.97371   108.90640    -5.45733
   61    55 S   CM   _C6_    60     1.50639   112.13934   165.65479
   62    61 S   HC   _H8_    61     1.08961   113.98685   -75.80903
   63    58 S   CO4  _C19    72     1.36162   118.50904  -136.01997
   64    63 S   O    _O38    73     1.22310   126.84005    -0.08847
   65    61 S   CM   _C5_    62     1.34674   127.81375   104.66778
   66    63 S   CT   _C20    74     1.49801   109.34974   179.25770
   67    66 S   HC   _H15    75     1.09248   109.69497   -69.39191
   68    66 S   HC   _H16    76     1.09350   109.23921   171.14133
   69    66 S   HC   _H17    77     1.09320   110.02283    52.55983
   70    65 S   CT   _C4_    63     1.50539   120.42917   179.05085
   71    70 S   HC   _H5_    64     1.09498   110.26724   118.97413
   72    70 S   HC   _H6_    65     1.09510   112.41600    -1.14038
   73    70 S   HC   _H7_    66     1.09495   110.20984  -121.20312
   74    65 S   CT   _C21    67     1.50274   125.16886    -2.01848
   75    74 S   HC   _H18    68     1.09479   110.09537   115.09284
   76    74 S   HC   _H19    69     1.09212   113.58198    -5.99904
   77    74 S   HC   _H20    70     1.09547   110.01862  -125.59766
  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   8   5   4   3
  13   6   2   1   1  10   4  12  12  10   9   2   7   4   2   1
   8   4   2  11   6   2   9   5   4   7   1   1  10   3   5   4
   8   3   2   1   1   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    49    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    54    43    44    49    52    53    55    58  
   38    39    40    43    49    52  
   36    37  
   37  
    0  
   39    40    41    42    50    54    59    43    49    52  
   40    41    54    49  
   41    42    45    50    51    54    59    60    47    43    44    49  
   42    45    46    50    54    59    47    48    43    44    49    52  
   45    46    50    51    54    47    48    43    44    49  
   44    49    52    53    55    58    45    47    54  
   49    52  
   46    50    51    54    59    47    48  
   50    51    54    47  
   48    50  
    0  
   52    53    55    56    57    61    58    63  
   51    54    59    60  
   54    59  
   53    55    56    57    61    62    65    58    63    64    66  
   55    56    57    61    58    63  
   59    60  
   56    57    61    62    65    70    74    58    63  
   57    61    62    65    58  
   61    62    65    58  
   63    64    66    67    68    69    61  
   60  
    0  
   62    65    70    71    72    73    74    75    76    77  
   65    70    74  
   64    66    67    68    69  
   66    67    68    69  
   70    71    72    73    74    75    76    77  
   67    68    69  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    49   317.000  1.510
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    54   469.000  1.400
   41    42   469.000  1.400
   41    43   320.000  1.460
   42    45   469.000  1.400
   42    47   450.000  1.364
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    59   450.000  1.364
   59    60   553.000  0.945
   47    48   553.000  0.945
   43    44   745.000  1.250
   43    49   465.000  1.376
   49    52   317.000  1.510
   52    53   340.000  1.090
   52    55   268.000  1.529
   52    58   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   317.000  1.510
   61    62   340.000  1.080
   61    65   549.000  1.340
   65    70   317.000  1.510
   65    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   58    63   214.000  1.327
   63    64   570.000  1.229
   63    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    49    75.00000  112.20000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    49    43    70.00000  124.00000
   33    49    52    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    54    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  120.93500
   40    54    50    63.00000  120.00000
   40    54    59    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    47    70.00000  120.00000
   41    43    44    85.00000  114.86500
   41    43    49    60.00000  123.20500
   42    45    46    35.00000  120.00000
   42    45    50    63.00000  120.00000
   42    47    48    35.00000  113.00000
   45    50    51    35.00000  120.00000
   45    50    54    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    54    59    70.00000  120.00000
   54    40    41    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    59    60    35.00000  113.00000
   47    42    45    70.00000  120.00000
   43    41    42    60.00000  120.93500
   43    49    52    70.00000  124.00000
   49    33    34    35.00000  109.50000
   49    33    38    70.00000  109.06800
   49    43    44    65.00000  137.10300
   49    52    53    35.00000  109.50000
   49    52    55    70.00000  112.02700
   49    52    58    85.00000  110.90400
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    61    70.00000  112.02700
   52    58    63    83.00000  116.90000
   55    52    53    37.50000  110.70000
   55    61    62    35.00000  117.00000
   55    61    65    70.00000  124.00000
   57    55    56    33.00000  107.80000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   61    65    70    70.00000  124.00000
   61    65    74    70.00000  124.00000
   65    61    62    35.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   65    74    75    35.00000  109.50000
   65    74    76    35.00000  109.50000
   65    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    65    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    55    50.00000  109.50000
   58    63    64    83.00000  123.40000
   58    63    66    81.00000  111.40000
   63    66    67    35.00000  109.50000
   63    66    68    35.00000  109.50000
   63    66    69    35.00000  109.50000
   66    63    64    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    49    43   0.42700  1.0 1.0
   29    33    49    43  -0.70350 -1.0 2.0
   29    33    49    43  -0.43150  1.0 3.0
   29    33    49    52   0.30250  1.0 1.0
   29    33    49    52  -0.14950 -1.0 2.0
   29    33    49    52   0.36900  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    54   2.26350  1.0 1.0
   33    38    40    54   0.76750 -1.0 2.0
   33    38    40    54   0.22500  1.0 3.0
   33    49    52    53   0.34800  1.0 3.0
   33    49    52    55   0.46850  1.0 1.0
   33    49    52    55   0.08550 -1.0 2.0
   33    49    52    55   0.09800  1.0 3.0
   33    49    52    58   0.09700  1.0 1.0
   33    49    52    58   0.15600 -1.0 2.0
   33    49    52    58  -0.50800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    49    43   0.00000  1.0 1.0
   34    33    49    52   0.34800  1.0 3.0
   38    33    49    43  -0.51250  1.0 1.0
   38    33    49    43  -0.88800 -1.0 2.0
   38    33    49    43   0.08850  1.0 3.0
   38    33    49    52   0.17250  1.0 1.0
   38    33    49    52  -0.04100 -1.0 2.0
   38    33    49    52  -0.33850  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    54    50   3.62500 -1.0 2.0
   38    40    54    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    54   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    47   3.62500 -1.0 2.0
   40    41    43    44  -0.01750  1.0 1.0
   40    41    43    44  -0.32000 -1.0 2.0
   40    41    43    44   0.00600  1.0 3.0
   40    41    43    49   0.15800  1.0 1.0
   40    41    43    49   1.85350 -1.0 2.0
   40    41    43    49  -0.48700  1.0 3.0
   40    54    59    60   0.84100 -1.0 2.0
   41    40    54    50   3.62500 -1.0 2.0
   41    40    54    59   3.62500 -1.0 2.0
   41    42    45    46   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    47    48   0.84100 -1.0 2.0
   41    43   -49    33   7.00000 -1.0 2.0
   41    43    49    52   7.00000 -1.0 2.0
   42    41    43    44  -0.01750  1.0 1.0
   42    41    43    44  -0.32000 -1.0 2.0
   42    41    43    44   0.00600  1.0 3.0
   42    41    43    49   0.15800  1.0 1.0
   42    41    43    49   1.85350 -1.0 2.0
   42    41    43    49  -0.48700  1.0 3.0
   42    45    50    51   3.62500 -1.0 2.0
   42    45    50    54   3.62500 -1.0 2.0
   45    42    47    48   0.84100 -1.0 2.0
   45    50   -54    40   3.62500 -1.0 2.0
   45    50    54    59   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    54   3.62500 -1.0 2.0
   50    54    59    60   0.84100 -1.0 2.0
   51    50    54    40   3.62500 -1.0 2.0
   51    50    54    59   3.62500 -1.0 2.0
   54    40   -41    42   3.62500 -1.0 2.0
   54    40    41    43   3.62500 -1.0 2.0
   47    42    45    46   3.62500 -1.0 2.0
   47    42    45    50   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    47   3.62500 -1.0 2.0
   43    49    52    53   0.00000  1.0 1.0
   43    49    52    55   0.09850  1.0 1.0
   43    49    52    55   0.15250 -1.0 2.0
   43    49    52    55  -0.50650  1.0 3.0
   43    49    52    58   0.39000  1.0 1.0
   43    49    52    58  -0.05800 -1.0 2.0
   43    49    52    58  -0.55150  1.0 3.0
   44    43    49    33   7.00000 -1.0 2.0
   44    43    49    52   7.00000 -1.0 2.0
   49    33    38    39   0.30150 -1.0 2.0
   49    33   -38    40   0.65300  1.0 1.0
   49    33   -38    40  -0.03850 -1.0 2.0
   49    33   -38    40   0.33900  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.15000  1.0 3.0
   49    52    55    61   0.31000  1.0 1.0
   49    52    55    61   0.14700 -1.0 2.0
   49    52    55    61   0.07550  1.0 3.0
   49    52    58    63  -0.82050  1.0 1.0
   49    52    58    63   0.00600 -1.0 2.0
   49    52    58    63   0.04400  1.0 3.0
   52    55    61    62   0.00000  1.0 1.0
   52    55    61    65   0.09850  1.0 1.0
   52    55    61    65   0.15250 -1.0 2.0
   52    55    61    65  -0.50650  1.0 3.0
   52    58    63    64   3.00000 -1.0 2.0
   52    58    63    66   1.63150  1.0 1.0
   52    58    63    66   2.92000 -1.0 2.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    61   0.15000  1.0 3.0
   53    52    58    63   0.08050  1.0 3.0
   55    52    58    63  -0.25900  1.0 1.0
   55    52    58    63  -0.47000 -1.0 2.0
   55    52    58    63   0.11750  1.0 3.0
   55    61    65    70   7.00000 -1.0 2.0
   55    61    65    74   7.00000 -1.0 2.0
   56    55    61    62   0.33100  1.0 3.0
   56    55    61    65   0.00000  1.0 1.0
   57    55    61    62   0.33100  1.0 3.0
   57    55    61    65   0.00000  1.0 1.0
   61    65    70    71   0.00000  1.0 1.0
   61    65    70    72   0.00000  1.0 1.0
   61    65    70    73   0.00000  1.0 1.0
   61    65    74    75   0.00000  1.0 1.0
   61    65    74    76   0.00000  1.0 1.0
   61    65    74    77   0.00000  1.0 1.0
   62    61    65    70   7.00000 -1.0 2.0
   62    61    65    74   7.00000 -1.0 2.0
   70    65    74    75   0.34800  1.0 3.0
   70    65    74    76   0.34800  1.0 3.0
   70    65    74    77   0.34800  1.0 3.0
   74    65    70    71   0.34800  1.0 3.0
   74    65    70    72   0.34800  1.0 3.0
   74    65    70    73   0.34800  1.0 3.0
   58    52    55    56   0.23400  1.0 3.0
   58    52    55    57   0.23400  1.0 3.0
   58    52    55    61   0.61850  1.0 1.0
   58    52    55    61  -0.22750 -1.0 2.0
   58    52    55    61   0.15300  1.0 3.0
   58    63    66    67   0.00000  1.0 1.0
   58    63    66    68   0.00000  1.0 1.0
   58    63    66    69   0.00000  1.0 1.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    68   0.00000  1.0 1.0
   64    63    66    69   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    40    38    39  10.50000 -1.0 2.0
   41    54    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    47    42    41   4.00000 -1.0 2.0
   50    46    45    42   1.10000 -1.0 2.0
   54    51    50    45   1.10000 -1.0 2.0
   50    59    54    40   4.00000 -1.0 2.0
   41    44    43    49   1.10000 -1.0 2.0
   33    52    49    43   1.10000 -1.0 2.0
   55    62    61    65  15.00000 -1.0 2.0
   70    74    65    61  15.00000 -1.0 2.0
   58    66    63    64  10.50000 -1.0 2.0
END
