* 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     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   _C17    37     1.51419   110.46649  -160.03728
   38    33 S   OH   _O30    74     1.42553   110.96487   -37.37733
   39    38 S   HO   _H41    75     0.96997   106.54213    57.26380
   40    37 S   CA   _C9_    38     1.47212   114.57815    83.91309
   41    37 S   CMA  _C18    58     1.36725   126.31100   -96.57051
   42    41 S   OM   _O21    59     1.26996   125.44078  -177.36285
   43    40 S   CA   _C8_    39     1.39993   123.87429    89.55230
   44    41 S   CA   _C10    60     1.51940   113.91903     1.48569
   45    43 S   CA   _C11    40     1.39693   119.85370  -179.93147
   46    44 S   CA   _C7_    61     1.40330   122.52950   -17.01069
   47    45 S   CA   _C15    41     1.39881   120.01421    -0.05595
   48    45 S   CO4  _C20    49     1.47474   120.41684  -179.97202
   49    48 S   O    _O23    50     1.22499   122.97011  -179.97202
   50    46 S   CA   _C4_    62     1.40233   122.06649  -176.67457
   51    50 S   HA   _H32    63     1.08676   120.90812  -179.85196
   52    33 S   CO4  _C21    72     1.51535   108.14818    77.68810
   53    52 S   O    _O24    73     1.22740   123.21997   -90.94701
   54    47 S   CA   _C6_    42     1.39519   119.95596     0.04846
   55    54 S   HA   _H34    43     1.08753   120.01331   179.91607
   56    47 S   OH   _O28    47     1.36372   122.76431  -179.92867
   57    56 S   HO   _H39    48     0.96972   110.10926    -0.01978
   58    48 S   CM   _C16    51     1.47679   117.65717    -0.05595
   59    58 S   HC   _H35    52     1.08634   116.91151  -179.93147
   60    50 S   CA   _C12    64     1.39048   119.87028    -0.78833
   61    40 S   CA   _C13    44     1.39465   116.13376   -90.42546
   62    58 S   CM   _C22    53     1.33445   122.26812     0.00000
   63    60 S   CA   _C5_    65     1.38987   119.61515    -0.07913
   64    63 S   HA   _H33    66     1.08774   119.76133  -179.41483
   65    60 S   OH   _O25    70     1.36007   120.20305  -179.58504
   66    65 S   HO   _H36    71     0.97077   110.30434    -0.03956
   67    61 S   OH   _O26    45     1.36504   121.73105     0.00000
   68    67 S   HO   _H37    46     0.96951   110.04066   180.00000
   69    43 S   CO4  _C19    54     1.47630   119.56083     0.00000
   70    69 S   O    _O22    55     1.22552   123.52827     0.00000
   71    62 S   OH   _O29    56     1.38112   120.36058  -180.00000
   72    71 S   HO   _H40    57     0.96254   109.79709  -179.97202
   73    44 S   CA   _C14    67     1.41278   120.88986   165.29898
   74    73 S   OH   _O27    68     1.36889   123.06159    -4.40264
   75    74 S   HO   _H38    69     0.96719   109.87486     1.51685
  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
  13   2   1   1  16   6   1  16  10   3  13  11  13   9  10   8
   3   9   4   3   1   6   3   2   1   6   3   6   3   4   6   3
   2   1   1   1   3   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    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    41    46    52    53    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    61    41    42    44    46    50    52    53    38    39  
   35    36  
   36  
    0  
   40    43    45    54    61    67    69    41    42    44    46    73    52    53    38    39  
   39    40    41    46    52    53  
   52  
   43    45    47    54    55    61    67    68    48    62    69    70    41    42    44    52  
   42    44    46    50    63    73    74    52    43    61  
   44    46    73  
   45    47    54    61    67    56    48    49    58    62    69    70    71  
   46    50    51    60    63    64    73    74    75    52    53  
   47    54    55    61    56    57    48    49    58    59    62    69    70  
   50    51    60    63    73    74    65    52    53  
   54    55    61    67    56    57    48    49    58    69  
   49    58    59    62    69    71    54    56  
   58    59    62  
   51    60    63    64    73    65    66    52    53  
   60    63    65    52  
   53    60    73  
    0  
   55    61    67    68    56    57  
   61    67    56  
   57    61  
    0  
   59    62    69    70    71    72  
   62    69    71  
   63    64    73    74    65    66  
   67    68    69  
   69    70    71    72  
   64    73    74    75    65    66  
   73    74    65  
   66    73  
    0  
   68  
    0  
   70    71    72  
   71  
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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    52   317.000  1.522
   33    38   320.000  1.410
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    61   469.000  1.400
   43    45   469.000  1.400
   43    69   310.000  1.470
   45    47   469.000  1.400
   45    48   310.000  1.470
   47    54   469.000  1.400
   47    56   450.000  1.364
   54    55   367.000  1.080
   54    61   469.000  1.400
   61    67   450.000  1.364
   67    68   553.000  0.945
   56    57   553.000  0.945
   48    49   570.000  1.229
   48    58   320.000  1.462
   58    59   340.000  1.080
   58    62   549.000  1.340
   62    69   320.000  1.462
   62    71   510.000  1.338
   69    70   570.000  1.229
   71    72   553.000  0.945
   41    42   745.000  1.250
   41    44   320.000  1.460
   44    46   469.000  1.400
   44    73   469.000  1.400
   46    50   469.000  1.400
   46    52   310.000  1.470
   50    51   367.000  1.080
   50    60   469.000  1.400
   60    63   469.000  1.400
   60    65   450.000  1.364
   63    64   367.000  1.080
   63    73   469.000  1.400
   73    74   450.000  1.364
   74    75   553.000  0.945
   65    66   553.000  0.945
   52    53   570.000  1.229
   38    39   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    52    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    40    60.00000  124.00000
   33    37    41    70.00000  124.00000
   33    52    46    65.00000  115.47100
   33    52    53    80.00000  120.40000
   33    38    39    55.00000  108.50000
   37    40    43    60.00000  118.70000
   37    40    61    60.00000  118.70000
   37    41    42    65.00000  137.10300
   37    41    44    60.00000  123.20500
   40    43    45    63.00000  120.00000
   40    43    69    60.00000  119.52600
   40    61    54    63.00000  120.00000
   40    61    67    70.00000  120.00000
   43    45    47    63.00000  120.00000
   43    45    48    60.00000  119.52600
   43    69    62    65.00000  117.02400
   43    69    70    75.00000  123.78400
   45    47    54    63.00000  120.00000
   45    47    56    70.00000  120.00000
   45    48    49    75.00000  123.78400
   45    48    58    65.00000  117.02400
   47    54    55    35.00000  120.00000
   47    54    61    63.00000  120.00000
   47    56    57    35.00000  113.00000
   54    61    67    70.00000  120.00000
   61    40    43    63.00000  120.00000
   61    54    55    35.00000  120.00000
   61    67    68    35.00000  113.00000
   56    47    54    70.00000  120.00000
   48    45    47    60.00000  119.52600
   48    58    59    40.00000  117.72500
   48    58    62    65.00000  118.96000
   58    48    49    80.00000  123.72100
   58    62    69    65.00000  118.96000
   58    62    71    80.00000  121.38400
   62    58    59    35.00000  120.00000
   62    69    70    80.00000  123.72100
   62    71    72    70.00000  107.45700
   69    43    45    60.00000  119.52600
   71    62    69    85.00000  116.28000
   41    37    40    60.00000  123.66000
   41    44    46    60.00000  120.93500
   41    44    73    60.00000  120.93500
   44    41    42    85.00000  114.86500
   44    46    50    63.00000  120.00000
   44    46    52    60.00000  119.52600
   44    73    63    63.00000  120.00000
   44    73    74    70.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    60    63.00000  120.00000
   46    52    53    75.00000  123.78400
   50    60    63    63.00000  120.00000
   50    60    65    70.00000  120.00000
   60    50    51    35.00000  120.00000
   60    63    64    35.00000  120.00000
   60    63    73    63.00000  120.00000
   60    65    66    35.00000  113.00000
   63    73    74    70.00000  120.00000
   73    44    46    63.00000  120.00000
   73    63    64    35.00000  120.00000
   73    74    75    35.00000  113.00000
   65    60    63    70.00000  120.00000
   52    33    37    70.00000  109.06800
   52    46    50    60.00000  119.52600
   38    33    37    90.00000  110.39200
   38    33    52    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   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    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   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    52    46   0.65300  1.0 1.0
   29    33    52    46  -0.03850 -1.0 2.0
   29    33    52    46   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    43  -0.02500  1.0 1.0
   33    37    40    43  -0.32150 -1.0 2.0
   33    37    40    43  -0.01500  1.0 3.0
   33    37    40    61  -0.02500  1.0 1.0
   33    37    40    61  -0.32150 -1.0 2.0
   33    37    40    61  -0.01500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   37    33    52    46   0.65300  1.0 1.0
   37    33    52    46  -0.03850 -1.0 2.0
   37    33    52    46   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40    43    69   3.62500 -1.0 2.0
   37    40    61    54   3.62500 -1.0 2.0
   37    40    61    67   3.62500 -1.0 2.0
   37    41   -44    46   0.15800  1.0 1.0
   37    41   -44    46   1.85350 -1.0 2.0
   37    41   -44    46  -0.48700  1.0 3.0
   37    41    44    73   0.15800  1.0 1.0
   37    41    44    73   1.85350 -1.0 2.0
   37    41    44    73  -0.48700  1.0 3.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    43    45    47   3.62500 -1.0 2.0
   40    43    45    48   3.62500 -1.0 2.0
   40    43    69    62  -0.11500  1.0 1.0
   40    43    69    62   1.10450 -1.0 2.0
   40    43    69    62  -0.48050  1.0 3.0
   40    43    69    70   1.05000 -1.0 2.0
   40    61    67    68   0.84100 -1.0 2.0
   43    40    61    54   3.62500 -1.0 2.0
   43    40    61    67   3.62500 -1.0 2.0
   43    45   -47    54   3.62500 -1.0 2.0
   43    45    47    56   3.62500 -1.0 2.0
   43    45    48    49   1.05000 -1.0 2.0
   43    45    48    58  -0.11500  1.0 1.0
   43    45    48    58   1.10450 -1.0 2.0
   43    45    48    58  -0.48050  1.0 3.0
   45    43    69    62  -0.11500  1.0 1.0
   45    43    69    62   1.10450 -1.0 2.0
   45    43    69    62  -0.48050  1.0 3.0
   45    43    69    70   1.05000 -1.0 2.0
   45    47    54    55   3.62500 -1.0 2.0
   45    47    54    61   3.62500 -1.0 2.0
   45    47    56    57   0.84100 -1.0 2.0
   45    48    58    59   1.64500 -1.0 2.0
   45    48   -58    62  -1.65800  1.0 1.0
   45    48   -58    62   0.77650 -1.0 2.0
   47    45    48    49   1.05000 -1.0 2.0
   47    45    48    58  -0.11500  1.0 1.0
   47    45    48    58   1.10450 -1.0 2.0
   47    45    48    58  -0.48050  1.0 3.0
   47    54   -61    40   3.62500 -1.0 2.0
   47    54    61    67   3.62500 -1.0 2.0
   54    47    56    57   0.84100 -1.0 2.0
   54    61    67    68   0.84100 -1.0 2.0
   55    54    61    40   3.62500 -1.0 2.0
   55    54    61    67   3.62500 -1.0 2.0
   61    40   -43    45   3.62500 -1.0 2.0
   61    40    43    69   3.62500 -1.0 2.0
   56    47    54    55   3.62500 -1.0 2.0
   56    47    54    61   3.62500 -1.0 2.0
   48    45    47    54   3.62500 -1.0 2.0
   48    45    47    56   3.62500 -1.0 2.0
   48    58    62    69   7.00000 -1.0 2.0
   48    58    62    71   7.00000 -1.0 2.0
   49    48    58    59   0.00000  1.0 1.0
   49    48    58    62   1.00000 -1.0 2.0
   58    62   -69    43  -1.65800  1.0 1.0
   58    62   -69    43   0.77650 -1.0 2.0
   58    62    69    70   1.00000 -1.0 2.0
   58    62    71    72  -0.66100  1.0 1.0
   58    62    71    72   1.20850 -1.0 2.0
   58    62    71    72  -0.36000  1.0 3.0
   59    58    62    69   7.00000 -1.0 2.0
   59    58    62    71   7.00000 -1.0 2.0
   69    43    45    47   3.62500 -1.0 2.0
   69    43   -45    48   3.62500 -1.0 2.0
   69    62    71    72   2.00000 -1.0 2.0
   71    62    69    43   1.50000 -1.0 2.0
   71    62    69    70  -0.11900  1.0 1.0
   71    62    69    70   0.76850 -1.0 2.0
   71    62    69    70   0.14100  1.0 3.0
   41    37    40    43   0.15800  1.0 1.0
   41    37    40    43   1.85350 -1.0 2.0
   41    37    40    43  -0.48700  1.0 3.0
   41    37    40    61   0.15800  1.0 1.0
   41    37    40    61   1.85350 -1.0 2.0
   41    37    40    61  -0.48700  1.0 3.0
   41    44    46    50   3.62500 -1.0 2.0
   41    44    46    52   3.62500 -1.0 2.0
   41    44    73    63   3.62500 -1.0 2.0
   41    44    73    74   3.62500 -1.0 2.0
   42    41    44    46  -0.01750  1.0 1.0
   42    41    44    46  -0.32000 -1.0 2.0
   42    41    44    46   0.00600  1.0 3.0
   42    41    44    73  -0.01750  1.0 1.0
   42    41    44    73  -0.32000 -1.0 2.0
   42    41    44    73   0.00600  1.0 3.0
   44    46    50    51   3.62500 -1.0 2.0
   44    46    50    60   3.62500 -1.0 2.0
   44    46   -52    33   2.26350  1.0 1.0
   44    46   -52    33   0.76750 -1.0 2.0
   44    46   -52    33   0.22500  1.0 3.0
   44    46    52    53   1.05000 -1.0 2.0
   44    73    74    75   0.84100 -1.0 2.0
   46    44    73    63   3.62500 -1.0 2.0
   46    44    73    74   3.62500 -1.0 2.0
   46    50   -60    63   3.62500 -1.0 2.0
   46    50    60    65   3.62500 -1.0 2.0
   50    46    52    33   2.26350  1.0 1.0
   50    46    52    33   0.76750 -1.0 2.0
   50    46    52    33   0.22500  1.0 3.0
   50    46    52    53   1.05000 -1.0 2.0
   50    60    63    64   3.62500 -1.0 2.0
   50    60    63    73   3.62500 -1.0 2.0
   50    60    65    66   0.84100 -1.0 2.0
   51    50    60    63   3.62500 -1.0 2.0
   51    50    60    65   3.62500 -1.0 2.0
   60    63   -73    44   3.62500 -1.0 2.0
   60    63    73    74   3.62500 -1.0 2.0
   63    60    65    66   0.84100 -1.0 2.0
   63    73    74    75   0.84100 -1.0 2.0
   64    63    73    44   3.62500 -1.0 2.0
   64    63    73    74   3.62500 -1.0 2.0
   73    44   -46    50   3.62500 -1.0 2.0
   73    44    46    52   3.62500 -1.0 2.0
   65    60    63    64   3.62500 -1.0 2.0
   65    60    63    73   3.62500 -1.0 2.0
   52    33    37    40   0.09700  1.0 1.0
   52    33    37    40   0.15600 -1.0 2.0
   52    33    37    40  -0.50800  1.0 3.0
   52    33   -37    41  -0.51250  1.0 1.0
   52    33   -37    41  -0.88800 -1.0 2.0
   52    33   -37    41   0.08850  1.0 3.0
   52    33    38    39   0.91850  1.0 1.0
   52    33    38    39   0.57950  1.0 3.0
   52    46    50    51   3.62500 -1.0 2.0
   52    46    50    60   3.62500 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    41   0.67800  1.0 1.0
   38    33    37    41   0.47050 -1.0 2.0
   38    33    37    41  -0.62500  1.0 3.0
   38    33    52    46   0.65300  1.0 1.0
   38    33    52    46  -0.03850 -1.0 2.0
   38    33    52    46   0.33900  1.0 3.0
   38    33    52    53   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    40    37    41   1.10000 -1.0 2.0
   43    61    40    37   4.00000 -1.0 2.0
   45    69    43    40   4.00000 -1.0 2.0
   47    48    45    43   4.00000 -1.0 2.0
   54    56    47    45   4.00000 -1.0 2.0
   61    55    54    47   1.10000 -1.0 2.0
   54    67    61    40   4.00000 -1.0 2.0
   45    58    48    49  10.50000 -1.0 2.0
   48    59    58    62   1.10000 -1.0 2.0
   69    71    62    58   1.10000 -1.0 2.0
   43    62    69    70  10.50000 -1.0 2.0
   44    42    41    37   1.10000 -1.0 2.0
   46    73    44    41   4.00000 -1.0 2.0
   50    52    46    44   4.00000 -1.0 2.0
   60    51    50    46   1.10000 -1.0 2.0
   63    65    60    50   4.00000 -1.0 2.0
   73    64    63    60   1.10000 -1.0 2.0
   63    74    73    44   4.00000 -1.0 2.0
   33    46    52    53  10.50000 -1.0 2.0
END
