* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    135    204     388
    1     0 S   NP   _N1_     1    30.43946    93.70491   -16.69215
    2     1 S   H    _HN1     2     1.02970   132.02595   108.07067
    3     1 S   H    _H1_     3     1.02828    25.05457   107.17032
    4     1 S   H    _H2_     4     1.02777    95.98416   -13.29700
    5     1 S   CT   _CA1     5     1.50249    96.67202  -126.65811
    6     5 S   HC   _HA1     6     1.09556   105.21602    38.11861
    7     5 S   CO3  _C1_     7     1.53801   112.53274   -82.03270
    8     7 S   O2Z  _O11     8     1.26369   114.99420   -34.89989
    9     7 S   O2Z  _O12     9     1.26210   115.06002   144.14489
   10     5 S   CT   _CB1    10     1.52946   107.22870   156.20058
   11    10 S   HC   HB11    11     1.09861   109.49676   -48.22348
   12    10 S   HC   HB12    12     1.09692   110.14724    67.79315
   13    10 S   CT   _CG1    13     1.53059   113.18479  -169.33548
   14    13 S   HC   HG11    14     1.09519   111.35577   -64.64153
   15    13 S   HC   HG12    15     1.09580   110.82773    54.91215
   16    13 S   C    _CD1    16     1.51405   109.55352   174.26421
   17    16 S   O    _OE1    17     1.22815   121.70532   -93.81567
   18    16 S   N    _N2_    18     1.38308   112.73766    83.62195
   19    18 S   H    _HN2    19     1.01711   119.10422     6.55867
   20    18 S   CT1  _CA2    20     1.46162   123.56655  -172.85018
   21    20 S   HC   _HA2    21     1.09714   109.42133    -8.39662
   22    20 S   C    _C2_    22     1.53358   108.74474  -124.56135
   23    22 S   O    _O2_    23     1.23047   122.12258  -147.07372
   24    20 S   CT   _CB2    32     1.53619   110.98102   113.38034
   25    24 S   HC   HB21    33     1.09350   109.09214    58.80010
   26    24 S   HC   HB22    34     1.09503   110.51402   177.38731
   27    22 S   N    _N3_    24     1.38466   113.53303    40.39289
   28    27 S   H    _HN3    25     1.01517   118.93676    -1.03211
   29    24 S   S    _SG2    35     1.82836   111.45478   -62.65788
   30    27 S   CT   _CA3    26     1.45415   123.30678   175.38471
   31    30 S   HC   HA31    27     1.09538   109.00883    28.37163
   32    30 S   HC   HA32    28     1.09492   107.16894   145.30184
   33    29 S   CT   _C7_    36     1.85631   100.77891   171.04428
   34    33 S   HC   _H3_    37     1.09783   105.22162    45.87790
   35    30 S   CO3  _C3_    29     1.52931   113.31257   -94.97354
   36    35 S   O2Z  _O31    30     1.26390   115.50384   -43.37618
   37    35 S   O2Z  _O32    31     1.26379   114.93766   137.60818
   38    33 S   CT   _C8_    38     1.54165   110.40241   -70.37563
   39    38 S   HC   _H10    39     1.09658   109.92682  -179.28811
   40    38 S   HC   _H11    40     1.09614   109.86652    64.31853
   41    33 S   CT   _C5_    65     1.56453   110.94173   161.07825
   42    38 S   OS   _O33    41     1.43190   110.96939   -57.66563
   43    41 S   CT   _C4_    66     1.53498   115.63949    58.49580
   44    43 S   HC   _H4_    67     1.09414   112.11012   -58.75799
   45    43 S   HC   _H5_    68     1.09706   110.39496  -176.01125
   46    43 S   HC   _H6_    69     1.09299   112.31568    64.22004
   47    41 S   CT   _C6_    70     1.53727   111.16337  -176.70794
   48    47 S   HC   _H7_    71     1.09590   110.80820    51.15844
   49    47 S   HC   _H8_    72     1.09657   110.88924   168.83595
   50    47 S   HC   _H9_    73     1.09408   112.25368   -70.62710
   51    41 S   OH   _O38    74     1.43952   107.02382   -61.47227
   52    51 S   HO   _H19    75     0.97244   108.24112   178.84174
   53    42 S   CA   _C9_    42     1.36916   110.43231  -180.00000
   54    53 S   C56A _C17    43     1.39313   121.48094    97.04187
   55    54 S   C56B _C16    44     1.39147   123.75271   177.73756
   56    55 S   C5B  _C19    45     1.42196   105.50850   178.72620
   57    56 S   HA   _H15    46     1.08084   127.45992  -179.62991
   58    55 S   CA   _C15    50     1.41314   118.42098    -1.15606
   59    56 S   C5A  _C18    47     1.37526   106.53248     0.68156
   60    59 S   HA   _H14    48     1.08036   133.72388   179.75292
   61    58 S   CA   _C11    51     1.41051   119.62919     1.82756
   62    58 S   OS   _O37    60     1.37920   120.53443   178.19702
   63    54 S   OA   _O36    49     1.36300   125.87932    -2.78586
   64    53 S   CA   _C10    52     1.39975   122.07400   -86.17301
   65    62 S   CT   _C20    61     1.42841   110.03868    83.28895
   66    65 S   HC   _H16    62     1.09407   107.76362   173.63250
   67    65 S   HC   _H17    63     1.09584   111.47878    55.29301
   68    65 S   HC   _H18    64     1.09475   111.18837   -68.22953
   69    64 S   OS   _O35    53     1.41513   117.12913     1.96782
   70    69 S   CO4  _C14    54     1.38766   122.33428   179.79826
   71    70 S   O    _O34    55     1.22582   121.92831   179.24671
   72    70 S   CM   _C13    56     1.47047   116.55394    -1.12917
   73    72 S   HC   _H13    57     1.08410   117.22535  -179.18675
   74    61 S   CM   _C12    58     1.45948   122.75108   178.21546
   75    74 S   HC   _H12    59     1.08442   119.10463    -1.49868
  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
  17   8   2   1   1  10   4   3  11   7   9   4   3   2   5   3
   2   1   1   1  11  11  11   7   4  13   2   1   9   6   1   6
   3   2   1   1   5   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    41    43    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    53    41    43    44    45    46    47    48    49    50    51    52  
   38    39    40    42    41    43    47    51  
   36    37  
   37  
    0  
   39    40    42    53    54    64    41    43    47    51  
   40    42    53    41  
   42    53    41  
   43    44    45    46    47    48    49    50    51    52    42  
   53    54    55    63    61    64    69  
   44    45    46    47    48    49    50    51    52  
   45    46    47    51  
   46    47    51  
   47    51  
   48    49    50    51    52  
   49    50    51  
   50    51  
   51  
   52  
    0  
   54    55    56    59    63    58    61    64    69    70    74  
   55    56    57    59    60    63    58    61    64    69    62  
   56    57    59    60    63    58    61    64    74    62    65  
   57    59    60    63    58    61    62  
   59    60    63    58  
   61    64    69    72    74    75    62    65    66    67    68    59    63  
   60    63  
   63  
   64    69    70    72    73    74    75    62    65  
   65    66    67    68    64    74  
   64  
   69    70    71    72    74    75  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    73    74  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.029000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.514600   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.241900   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.010800   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700   0.079700   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.171600   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.035400   2.5000   1.7750   0.001000000  -0.843144165
   62   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   64   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   320.000  1.410
   42    53   450.000  1.364
   53    54   469.000  1.400
   53    64   469.000  1.400
   54    55   447.000  1.419
   54    63   425.000  1.380
   55    56   380.000  1.440
   55    58   469.000  1.404
   56    57   367.000  1.080
   56    59   520.000  1.370
   59    60   367.000  1.080
   59    63   340.000  1.360
   58    61   469.000  1.400
   58    62   450.000  1.364
   61    64   469.000  1.400
   61    74   320.000  1.460
   64    69   450.000  1.364
   69    70   214.000  1.327
   70    71   570.000  1.229
   70    72   320.000  1.462
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   340.000  1.080
   62    65   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   41    43   268.000  1.529
   41    47   268.000  1.529
   41    51   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   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    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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    50.00000  109.50000
   33    41    43    58.35000  112.70000
   33    41    47    58.35000  112.70000
   33    41    51    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    53    75.00000  111.00000
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    53    54    70.00000  120.00000
   42    53    64    70.00000  120.00000
   53    54    55    85.00000  122.70000
   53    54    63    70.00000  124.10000
   53    64    61    63.00000  120.00000
   53    64    69    70.00000  120.00000
   54    55    56    80.00000  107.43600
   54    55    58    85.00000  116.20000
   54    63    59   110.00000  105.28000
   55    56    57    35.00000  127.20800
   55    56    59    80.00000  105.82900
   55    58    61    63.00000  120.00000
   55    58    62    70.00000  120.00000
   56    59    60    35.00000  130.70000
   56    59    63    70.00000  108.00000
   59    56    57    35.00000  128.20000
   63    54    55   100.00000  108.43400
   63    59    60    35.00000  113.40000
   58    55    56    50.00000  134.85500
   58    61    64    63.00000  120.00000
   58    61    74    60.00000  120.93500
   58    62    65    75.00000  111.00000
   61    64    69    70.00000  120.00000
   61    74    72    60.00000  123.20500
   61    74    75    40.00000  117.26300
   64    53    54    85.00000  120.00000
   64    69    70    85.00000  115.98000
   69    70    71    83.00000  123.40000
   69    70    72    90.00000  111.29400
   70    72    73    40.00000  117.72500
   70    72    74    65.00000  118.96000
   72    70    71    80.00000  123.72100
   72    74    75    35.00000  120.00000
   74    61    64    60.00000  120.93500
   74    72    73    35.00000  120.00000
   62    58    61    70.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    46    37.50000  110.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   41    51    52    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    41    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    41    43    50.00000  109.50000
   51    41    47    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    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    43   0.44750  1.0 1.0
   29    33    41    43  -0.17800 -1.0 2.0
   29    33    41    43   0.20200  1.0 3.0
   29    33    41    47   0.44750  1.0 1.0
   29    33    41    47  -0.17800 -1.0 2.0
   29    33    41    47   0.20200  1.0 3.0
   29    33    41    51   0.56750  1.0 1.0
   29    33    41    51  -0.07550 -1.0 2.0
   29    33    41    51   0.20000  1.0 3.0
   33    38    42    53  -0.32850  1.0 1.0
   33    38    42    53  -0.35800 -1.0 2.0
   33    38    42    53   0.33950  1.0 3.0
   33    41    43    44   0.15000  1.0 3.0
   33    41    43    45   0.15000  1.0 3.0
   33    41    43    46   0.15000  1.0 3.0
   33    41    47    48   0.15000  1.0 3.0
   33    41    47    49   0.15000  1.0 3.0
   33    41    47    50   0.15000  1.0 3.0
   33    41    51    52  -0.11600  1.0 1.0
   33    41    51    52  -0.09450 -1.0 2.0
   33    41    51    52   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   34    33    41    47   0.15000  1.0 3.0
   34    33    41    51   0.23400  1.0 3.0
   38    33    41    43   0.56750  1.0 1.0
   38    33    41    43  -0.07550 -1.0 2.0
   38    33    41    43   0.20000  1.0 3.0
   38    33    41    47   0.56750  1.0 1.0
   38    33    41    47  -0.07550 -1.0 2.0
   38    33    41    47   0.20000  1.0 3.0
   38    33    41    51   0.86500  1.0 1.0
   38    33    41    51  -0.17500 -1.0 2.0
   38    33    41    51   0.20800  1.0 3.0
   38    42    53    54   1.63200 -1.0 2.0
   38    42    53    64   1.63200 -1.0 2.0
   39    38    42    53   0.08050  1.0 3.0
   40    38    42    53   0.08050  1.0 3.0
   42    53    54    55   3.62500 -1.0 2.0
   42    53    54    63   3.62500 -1.0 2.0
   42    53    64    61   3.62500 -1.0 2.0
   42    53    64    69   3.62500 -1.0 2.0
   53    54    55    56   3.00000 -1.0 2.0
   53    54    55    58   3.00000 -1.0 2.0
   53    54    63    59   3.62500 -1.0 2.0
   53    64    69    70   0.01300  1.0 1.0
   53    64    69    70   0.97950 -1.0 2.0
   53    64    69    70  -0.55700  1.0 3.0
   54    53    64    61   3.62500 -1.0 2.0
   54    53    64    69   3.62500 -1.0 2.0
   54    55    56    57   3.50000 -1.0 2.0
   54    55   -56    59   3.50000 -1.0 2.0
   54    55   -58    61   3.50000 -1.0 2.0
   54    55    58    62   3.62500 -1.0 2.0
   55    54   -63    59   3.62500 -1.0 2.0
   55    56    59    60   3.62500 -1.0 2.0
   55    56   -59    63   3.62500 -1.0 2.0
   55    58    61    64   3.62500 -1.0 2.0
   55    58    61    74   3.62500 -1.0 2.0
   55    58    62    65   1.63200 -1.0 2.0
   56    55    58    61   3.62500 -1.0 2.0
   56    55    58    62   3.62500 -1.0 2.0
   56    59   -63    54   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    63   3.62500 -1.0 2.0
   60    59    63    54   3.62500 -1.0 2.0
   63    54   -55    56   3.62500 -1.0 2.0
   63    54    55    58   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    59   3.62500 -1.0 2.0
   58    61   -64    53   3.62500 -1.0 2.0
   58    61    64    69   3.62500 -1.0 2.0
   58    61    74    72   0.15800  1.0 1.0
   58    61    74    72   1.85350 -1.0 2.0
   58    61    74    72  -0.48700  1.0 3.0
   58    61    74    75   0.56550  1.0 3.0
   58    62    65    66   0.08050  1.0 3.0
   58    62    65    67   0.08050  1.0 3.0
   58    62    65    68   0.08050  1.0 3.0
   61    58    62    65   1.63200 -1.0 2.0
   61    64    69    70   0.01300  1.0 1.0
   61    64    69    70   0.97950 -1.0 2.0
   61    64    69    70  -0.55700  1.0 3.0
   64    53   -54    55   3.62500 -1.0 2.0
   64    53    54    63   3.62500 -1.0 2.0
   64    61    74    72   0.15800  1.0 1.0
   64    61    74    72   1.85350 -1.0 2.0
   64    61    74    72  -0.48700  1.0 3.0
   64    61    74    75   0.56550  1.0 3.0
   64    69    70    71   3.00000 -1.0 2.0
   64    69   -70    72   2.00000 -1.0 2.0
   69    70    72    73   1.63100 -1.0 2.0
   69    70    72    74  -0.56150  1.0 1.0
   69    70    72    74   2.19150 -1.0 2.0
   70    72   -74    61   7.00000 -1.0 2.0
   70    72    74    75   7.00000 -1.0 2.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   1.00000 -1.0 2.0
   73    72    74    61   7.00000 -1.0 2.0
   73    72    74    75   7.00000 -1.0 2.0
   74    61    64    53   3.62500 -1.0 2.0
   74    61   -64    69   3.62500 -1.0 2.0
   62    58    61    64   3.62500 -1.0 2.0
   62    58    61    74   3.62500 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.62750  1.0 1.0
   41    33    38    42  -0.30950 -1.0 2.0
   41    33    38    42   0.27300  1.0 3.0
   43    41    47    48   0.15000  1.0 3.0
   43    41    47    49   0.15000  1.0 3.0
   43    41    47    50   0.15000  1.0 3.0
   43    41    51    52  -0.11600  1.0 1.0
   43    41    51    52  -0.09450 -1.0 2.0
   43    41    51    52   0.21250  1.0 3.0
   47    41    43    44   0.15000  1.0 3.0
   47    41    43    45   0.15000  1.0 3.0
   47    41    43    46   0.15000  1.0 3.0
   47    41    51    52  -0.11600  1.0 1.0
   47    41    51    52  -0.09450 -1.0 2.0
   47    41    51    52   0.21250  1.0 3.0
   51    41    43    44   0.23400  1.0 3.0
   51    41    43    45   0.23400  1.0 3.0
   51    41    43    46   0.23400  1.0 3.0
   51    41    47    48   0.23400  1.0 3.0
   51    41    47    49   0.23400  1.0 3.0
   51    41    47    50   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
   36    30    35    37  10.50000 -1.0 2.0
   54    64    53    42   4.00000 -1.0 2.0
   55    63    54    53   4.00000 -1.0 2.0
   56    58    55    54   4.00000 -1.0 2.0
   59    57    56    55   1.10000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   61    62    58    55   4.00000 -1.0 2.0
   64    74    61    58   4.00000 -1.0 2.0
   61    69    64    53   4.00000 -1.0 2.0
   69    72    70    71  10.50000 -1.0 2.0
   70    73    72    74   1.10000 -1.0 2.0
   61    75    74    72   1.10000 -1.0 2.0
END
