* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    130    220     391
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02097    39.07442  -150.74168
    3     1 S   H    _H1_     3     1.02150   101.50650   -45.27342
    4     1 S   H    _H2_     4     1.02056    75.30323    61.33258
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C23    36     1.80594    98.15691  -178.21469
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.49294   109.64389    79.98063
   38    37 S   HC   _H35    38     1.09331   114.12757   -78.14295
   39    33 S   OH   _O30    74     1.42164   111.04984   -39.69540
   40    39 S   HO   _H41    75     0.97102   106.70357   -59.55909
   41    37 S   CMA  _C18    39     1.35417   128.30721   103.05252
   42    41 S   OM   _O21    40     1.26756   123.83618   177.73687
   43    41 S   CA   _C10    41     1.51314   113.90384    -1.63027
   44    43 S   CA   _C8_    42     1.40622   122.53299    12.40280
   45    44 S   CA   _C9_    43     1.40357   121.66566   177.93436
   46    33 S   CO4  _C21    72     1.51256   108.08442  -156.91386
   47    46 S   O    _O24    73     1.22824   120.62987    86.18337
   48    45 S   CA   _C13    44     1.38988   120.05516     0.54930
   49    45 S   CM   _C17    52     1.47488   123.84108   178.38045
   50    48 S   CA   _C6_    45     1.38932   119.71839    -0.07133
   51    50 S   HA   _H34    46     1.08760   119.94709   179.57433
   52    48 S   OH   _O26    50     1.36450   121.91126   179.54500
   53    52 S   HO   _H37    51     0.96936   110.09692  -179.68102
   54    49 S   CO4  _C20    53     1.49103   118.92691   -90.00155
   55    54 S   O    _O23    54     1.22595   121.36227    -0.65102
   56    43 S   CA   _C14    47     1.41247   120.70191  -169.07901
   57    54 S   CA   _C11    55     1.47418   118.12379   179.57204
   58    56 S   OH   _O27    48     1.36845   123.15843     2.99428
   59    58 S   HO   _H38    49     0.96870   109.81933    -1.21531
   60    57 S   CA   _C7_    56     1.39401   120.64897     0.22206
   61    60 S   CA   _C4_    57     1.39966   120.00799   179.89165
   62    61 S   HA   _H32    58     1.08818   120.97021   179.97202
   63    60 S   CO4  _C19    67     1.47305   120.42534    -0.16902
   64    63 S   O    _O22    68     1.22590   121.03589  -179.97202
   65    61 S   CA   _C12    59     1.39447   120.01563     0.03426
   66    49 S   CM   _C22    69     1.34382   120.07686    89.60172
   67    65 S   CA   _C5_    60     1.39329   120.04656     0.00000
   68    67 S   HA   _H33    61     1.08733   119.81380   179.96044
   69    65 S   OH   _O25    65     1.36111   119.97667   179.92087
   70    69 S   HO   _H36    66     0.97149   110.25861     0.03426
   71    66 S   OH   _O29    70     1.38344   121.54335    -0.04423
   72    71 S   HO   _H40    71     0.96146   109.61507   179.98022
   73    57 S   CA   _C15    62     1.40068   119.54925  -179.81869
   74    73 S   OH   _O28    63     1.36383   122.80968     0.02798
   75    74 S   HO   _H39    64     0.96942   110.10821     0.06561
  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
  11   2   1   1  10   5   5   1   8   3  11  11  15   4   1   9
  12   6   3   2   1  10   4   2  12   1   1  11  10   4   6   2
   6   2   6   3   2   1   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    46    47    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    44    45    46    47    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    56    46    47    39    40  
   41    42    43    46    39  
   40    41    44    46    47  
   46  
   42    43    44    45    50    56    58    46  
   43    44    56  
   44    45    48    50    51    56    58    59    49    46    47  
   45    48    50    56    58    52    49    54    66    46    47  
   48    50    51    56    52    53    49    54    55    57    63    66    71    46    47  
   47    48    49    56  
    0  
   50    51    56    58    52    53    49    54    66  
   54    55    57    60    73    63    64    66    71    72    50    52  
   51    56    58    59    52    53  
   56    58    52  
   53    56  
    0  
   55    57    60    61    67    73    74    63    66    71  
   57    60    73    66  
   58    59  
   60    61    62    65    67    68    73    74    75    63    64    66  
   59  
    0  
   61    62    65    67    73    74    69    63    64    66    71  
   62    65    67    68    73    69    70    63    64    66  
   65    67    69    63  
   64    66    71    72    65    73  
   66    71  
   67    68    73    74    69    70  
   71    72  
   68    73    74    75    69    70  
   73    74    69  
   70    73  
    0  
   72  
    0  
   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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0760   0.000000   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    46   317.000  1.522
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    43   320.000  1.460
   43    44   469.000  1.400
   43    56   469.000  1.400
   44    45   469.000  1.400
   44    46   310.000  1.470
   45    48   469.000  1.400
   45    49   320.000  1.460
   48    50   469.000  1.400
   48    52   450.000  1.364
   50    51   367.000  1.080
   50    56   469.000  1.400
   56    58   450.000  1.364
   58    59   553.000  0.945
   52    53   553.000  0.945
   49    54   320.000  1.462
   49    66   549.000  1.340
   54    55   570.000  1.229
   54    57   310.000  1.470
   57    60   469.000  1.400
   57    73   469.000  1.400
   60    61   469.000  1.400
   60    63   310.000  1.470
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    67   469.000  1.400
   65    69   450.000  1.364
   67    68   367.000  1.080
   67    73   469.000  1.400
   73    74   450.000  1.364
   74    75   553.000  0.945
   69    70   553.000  0.945
   63    64   570.000  1.229
   63    66   320.000  1.462
   66    71   510.000  1.338
   71    72   553.000  0.945
   46    47   570.000  1.229
   39    40   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    46    75.00000  110.18000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    46    44    65.00000  115.47100
   33    46    47    80.00000  120.40000
   33    39    40    55.00000  108.50000
   37    41    42    65.00000  137.10300
   37    41    43    60.00000  123.20500
   41    37    38    40.00000  120.50800
   41    43    44    60.00000  120.93500
   41    43    56    60.00000  120.93500
   43    41    42    85.00000  114.86500
   43    44    45    63.00000  120.00000
   43    44    46    60.00000  119.52600
   43    56    50    63.00000  120.00000
   43    56    58    70.00000  120.00000
   44    45    48    63.00000  120.00000
   44    45    49    60.00000  118.70000
   44    46    47    75.00000  123.78400
   45    48    50    63.00000  120.00000
   45    48    52    70.00000  120.00000
   45    49    54    60.00000  124.00000
   45    49    66    60.00000  123.66000
   48    50    51    35.00000  120.00000
   48    50    56    63.00000  120.00000
   48    52    53    35.00000  113.00000
   50    56    58    70.00000  120.00000
   56    43    44    63.00000  120.00000
   56    50    51    35.00000  120.00000
   56    58    59    35.00000  113.00000
   52    48    50    70.00000  120.00000
   49    45    48    60.00000  118.70000
   49    54    55    80.00000  123.72100
   49    54    57    65.00000  117.02400
   49    66    63    65.00000  118.96000
   49    66    71    80.00000  121.38400
   54    57    60    60.00000  119.52600
   54    57    73    60.00000  119.52600
   57    54    55    75.00000  123.78400
   57    60    61    63.00000  120.00000
   57    60    63    60.00000  119.52600
   57    73    67    63.00000  120.00000
   57    73    74    70.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    75.00000  123.78400
   60    63    66    65.00000  117.02400
   61    65    67    63.00000  120.00000
   61    65    69    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    67    68    35.00000  120.00000
   65    67    73    63.00000  120.00000
   65    69    70    35.00000  113.00000
   67    73    74    70.00000  120.00000
   73    57    60    63.00000  120.00000
   73    67    68    35.00000  120.00000
   73    74    75    35.00000  113.00000
   69    65    67    70.00000  120.00000
   63    60    61    60.00000  119.52600
   63    66    71    85.00000  116.28000
   66    49    54    65.00000  118.96000
   66    63    64    80.00000  123.72100
   66    71    72    70.00000  107.45700
   46    33    37    70.00000  109.06800
   46    44    45    60.00000  119.52600
   39    33    37    90.00000  110.39200
   39    33    46    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    46    44   0.65300  1.0 1.0
   29    33    46    44  -0.03850 -1.0 2.0
   29    33    46    44   0.33900  1.0 3.0
   29    33    46    47   0.30150 -1.0 2.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   37    33    46    44   0.65300  1.0 1.0
   37    33    46    44  -0.03850 -1.0 2.0
   37    33    46    44   0.33900  1.0 3.0
   37    33    46    47   0.30150 -1.0 2.0
   37    33    39    40  -0.07800  1.0 1.0
   37    33    39    40  -0.21500 -1.0 2.0
   37    33    39    40  -0.03150  1.0 3.0
   37    41   -43    44   0.15800  1.0 1.0
   37    41   -43    44   1.85350 -1.0 2.0
   37    41   -43    44  -0.48700  1.0 3.0
   37    41    43    56   0.15800  1.0 1.0
   37    41    43    56   1.85350 -1.0 2.0
   37    41    43    56  -0.48700  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    44    45   3.62500 -1.0 2.0
   41    43    44    46   3.62500 -1.0 2.0
   41    43    56    50   3.62500 -1.0 2.0
   41    43    56    58   3.62500 -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    56  -0.01750  1.0 1.0
   42    41    43    56  -0.32000 -1.0 2.0
   42    41    43    56   0.00600  1.0 3.0
   43    44    45    48   3.62500 -1.0 2.0
   43    44    45    49   3.62500 -1.0 2.0
   43    44   -46    33   2.26350  1.0 1.0
   43    44   -46    33   0.76750 -1.0 2.0
   43    44   -46    33   0.22500  1.0 3.0
   43    44    46    47   1.05000 -1.0 2.0
   43    56    58    59   0.84100 -1.0 2.0
   44    43    56    50   3.62500 -1.0 2.0
   44    43    56    58   3.62500 -1.0 2.0
   44    45   -48    50   3.62500 -1.0 2.0
   44    45    48    52   3.62500 -1.0 2.0
   44    45    49    54  -0.01750  1.0 1.0
   44    45    49    54  -0.32000 -1.0 2.0
   44    45    49    54   0.00600  1.0 3.0
   44    45    49    66   0.15800  1.0 1.0
   44    45    49    66   1.85350 -1.0 2.0
   44    45    49    66  -0.48700  1.0 3.0
   45    44    46    33   2.26350  1.0 1.0
   45    44    46    33   0.76750 -1.0 2.0
   45    44    46    33   0.22500  1.0 3.0
   45    44    46    47   1.05000 -1.0 2.0
   45    48    50    51   3.62500 -1.0 2.0
   45    48    50    56   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   45    49    54    55  -0.52200  1.0 1.0
   45    49    54    55   0.82950 -1.0 2.0
   45    49    54    57   1.50000 -1.0 2.0
   45    49    66    63   7.00000 -1.0 2.0
   45    49    66    71   7.00000 -1.0 2.0
   48    45    49    54  -0.01750  1.0 1.0
   48    45    49    54  -0.32000 -1.0 2.0
   48    45    49    54   0.00600  1.0 3.0
   48    45    49    66   0.15800  1.0 1.0
   48    45    49    66   1.85350 -1.0 2.0
   48    45    49    66  -0.48700  1.0 3.0
   48    50   -56    43   3.62500 -1.0 2.0
   48    50    56    58   3.62500 -1.0 2.0
   50    48    52    53   0.84100 -1.0 2.0
   50    56    58    59   0.84100 -1.0 2.0
   51    50    56    43   3.62500 -1.0 2.0
   51    50    56    58   3.62500 -1.0 2.0
   56    43   -44    45   3.62500 -1.0 2.0
   56    43    44    46   3.62500 -1.0 2.0
   52    48    50    51   3.62500 -1.0 2.0
   52    48    50    56   3.62500 -1.0 2.0
   49    45    48    50   3.62500 -1.0 2.0
   49    45    48    52   3.62500 -1.0 2.0
   49    54    57    60  -0.11500  1.0 1.0
   49    54    57    60   1.10450 -1.0 2.0
   49    54    57    60  -0.48050  1.0 3.0
   49    54    57    73  -0.11500  1.0 1.0
   49    54    57    73   1.10450 -1.0 2.0
   49    54    57    73  -0.48050  1.0 3.0
   49    66    71    72  -0.66100  1.0 1.0
   49    66    71    72   1.20850 -1.0 2.0
   49    66    71    72  -0.36000  1.0 3.0
   54    49    66    63   7.00000 -1.0 2.0
   54    49    66    71   7.00000 -1.0 2.0
   54    57    60    61   3.62500 -1.0 2.0
   54    57   -60    63   3.62500 -1.0 2.0
   54    57    73    67   3.62500 -1.0 2.0
   54    57    73    74   3.62500 -1.0 2.0
   55    54    57    60   1.05000 -1.0 2.0
   55    54    57    73   1.05000 -1.0 2.0
   57    60    61    62   3.62500 -1.0 2.0
   57    60    61    65   3.62500 -1.0 2.0
   57    60    63    64   1.05000 -1.0 2.0
   57    60    63    66  -0.11500  1.0 1.0
   57    60    63    66   1.10450 -1.0 2.0
   57    60    63    66  -0.48050  1.0 3.0
   57    73    74    75   0.84100 -1.0 2.0
   60    57    73    67   3.62500 -1.0 2.0
   60    57    73    74   3.62500 -1.0 2.0
   60    61   -65    67   3.62500 -1.0 2.0
   60    61    65    69   3.62500 -1.0 2.0
   60    63   -66    49  -1.65800  1.0 1.0
   60    63   -66    49   0.77650 -1.0 2.0
   60    63    66    71   1.50000 -1.0 2.0
   61    60    63    64   1.05000 -1.0 2.0
   61    60    63    66  -0.11500  1.0 1.0
   61    60    63    66   1.10450 -1.0 2.0
   61    60    63    66  -0.48050  1.0 3.0
   61    65    67    68   3.62500 -1.0 2.0
   61    65    67    73   3.62500 -1.0 2.0
   61    65    69    70   0.84100 -1.0 2.0
   62    61    65    67   3.62500 -1.0 2.0
   62    61    65    69   3.62500 -1.0 2.0
   65    67   -73    57   3.62500 -1.0 2.0
   65    67    73    74   3.62500 -1.0 2.0
   67    65    69    70   0.84100 -1.0 2.0
   67    73    74    75   0.84100 -1.0 2.0
   68    67    73    57   3.62500 -1.0 2.0
   68    67    73    74   3.62500 -1.0 2.0
   73    57   -60    61   3.62500 -1.0 2.0
   73    57    60    63   3.62500 -1.0 2.0
   69    65    67    68   3.62500 -1.0 2.0
   69    65    67    73   3.62500 -1.0 2.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   63    66    71    72   2.00000 -1.0 2.0
   64    63    66    49   1.00000 -1.0 2.0
   64    63    66    71  -0.11900  1.0 1.0
   64    63    66    71   0.76850 -1.0 2.0
   64    63    66    71   0.14100  1.0 3.0
   66    49    54    55   1.00000 -1.0 2.0
   66    49   -54    57  -1.65800  1.0 1.0
   66    49   -54    57   0.77650 -1.0 2.0
   46    33    37    38   0.00000  1.0 1.0
   46    33   -37    41  -0.51250  1.0 1.0
   46    33   -37    41  -0.88800 -1.0 2.0
   46    33   -37    41   0.08850  1.0 3.0
   46    33    39    40   0.91850  1.0 1.0
   46    33    39    40   0.57950  1.0 3.0
   46    44    45    48   3.62500 -1.0 2.0
   46    44    45    49   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    46    44   0.65300  1.0 1.0
   39    33    46    44  -0.03850 -1.0 2.0
   39    33    46    44   0.33900  1.0 3.0
   39    33    46    47   0.30150 -1.0 2.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   44    56    43    41   4.00000 -1.0 2.0
   45    46    44    43   4.00000 -1.0 2.0
   48    49    45    44   4.00000 -1.0 2.0
   50    52    48    45   4.00000 -1.0 2.0
   56    51    50    48   1.10000 -1.0 2.0
   50    58    56    43   4.00000 -1.0 2.0
   45    54    49    66   1.10000 -1.0 2.0
   49    57    54    55  10.50000 -1.0 2.0
   60    73    57    54   4.00000 -1.0 2.0
   61    63    60    57   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   67    69    65    61   4.00000 -1.0 2.0
   73    68    67    65   1.10000 -1.0 2.0
   67    74    73    57   4.00000 -1.0 2.0
   60    66    63    64  10.50000 -1.0 2.0
   63    71    66    49   1.10000 -1.0 2.0
   33    44    46    47  10.50000 -1.0 2.0
END
