* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    137    212     398
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02109    62.24040  -107.14585
    3     1 S   H    _H1_     3     1.02118   106.12527    -4.17106
    4     1 S   H    _H2_     4     1.02025    50.03167    96.99500
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   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   _C17    36     1.82878    97.95163  -178.13491
   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   _C10    37     1.50144   108.25594    59.94118
   38    37 S   HC   _H27    38     1.08712   118.84739   -81.58813
   39    33 S   OH   _O25    75     1.43092   110.76599   -56.01829
   40    39 S   HO   _H42    76     0.96817   106.28112    57.27158
   41    37 S   CM   _C13    39     1.33666   120.81860   107.39496
   42    41 S   CT   _C16    40     1.53292   124.86039    -5.12491
   43    42 S   CA   _C5_    41     1.52101    97.81291   151.20005
   44    42 S   CMA  _C12    62     1.55860   111.40629    24.53147
   45    44 S   OM   _O19    63     1.26305   113.16394   160.78290
   46    42 S   CT   _C21    71     1.54994   108.14228   -96.42555
   47    46 S   HC   _H37    72     1.08180   108.67472    74.89787
   48    46 S   HC   _H38    73     1.08150   108.67489   -45.05652
   49    46 S   HC   _H39    74     1.08105   108.69720  -165.11419
   50    43 S   CA   _C7_    42     1.40137   109.07297    10.95357
   51    33 S   CM   _C11    64     1.52446   110.17481  -176.13284
   52    50 S   CA   _C4_    43     1.38059   123.00736   176.59349
   53    41 S   OS   _O22    61     1.39223   121.75164   160.70100
   54    51 S   CO4  _C15    65     1.48435   115.96982    75.68221
   55    54 S   O    _O21    66     1.22351   119.88503    88.69685
   56    52 S   CA   _C8_    44     1.39292   117.53501    -0.37115
   57    52 S   CO4  _C14    55     1.45618   120.86036   179.58788
   58    57 S   O    _O20    56     1.23152   124.88622   120.28355
   59    54 S   CT   _C20    67     1.49894   117.39260   -91.67270
   60    59 S   HC   _H34    68     1.09350   111.79744    89.95931
   61    59 S   HC   _H35    69     1.09288   109.00588   -30.20943
   62    59 S   HC   _H36    70     1.09329   108.94053  -150.37948
   63    56 S   CA   _C6_    45     1.40473   120.52262    -0.69858
   64    56 S   OH   _O23    53     1.36649   119.84672   179.86152
   65    64 S   HO   _H40    54     0.96870   110.02692   179.98022
   66    57 S   CT   _C19    57     1.50004   117.48966   -59.93442
   67    66 S   HC   _H31    58     1.10169   114.00563    89.96631
   68    66 S   HC   _H32    59     1.10173   113.16566   -33.17869
   69    66 S   HC   _H33    60     1.10460   113.21049  -151.77037
   70    43 S   CA   _C9_    46     1.38631   131.41484  -175.20572
   71    63 S   CT   _C18    49     1.49790   119.35445  -178.55058
   72    71 S   HC   _H28    50     1.09487   110.06977    89.98796
   73    71 S   HC   _H29    51     1.09505   110.93290  -149.53987
   74    71 S   HC   _H30    52     1.09478   110.96296   -30.54298
   75    70 S   OH   _O24    47     1.35910   122.60290    -0.24389
   76    75 S   HO   _H41    48     0.97088   110.42394    -0.05234
  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  12   5   5   1  13  15  17  12   3   7   2   1
   1  10   6  13   3   5   4  12   7   4   3   2   1   1   9   3
   1   3   2   1   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    51    54    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    53    44    45    51    54    55    59    39    40  
   35    36  
   36  
    0  
   38    41    42    43    50    53    44    51    54    46    39    40  
   41    42    53    51    39  
   40    41    44    51    54  
   51  
   42    43    50    52    70    53    44    45    51    46    47    48    49  
   43    50    52    63    70    75    53    44    45    51    54    46    47    48    49  
   50    52    56    63    70    75    76    71    57    53    44    45    51    46    47    48    49  
   45    51    54    55    59    46    47    48    49    50    53    70  
   51    54    46  
   47    48    49    50    51    53    70  
   48    49  
   49  
    0  
   52    56    63    70    75    64    57    58    66    53  
   54    55    59    60    61    62  
   56    63    70    71    64    65    57    58    66    67    68    69    53  
   56    57    70  
   55    59    60    61    62  
   59    60    61    62  
   63    70    75    71    72    73    74    64    65    57    58    66  
   58    66    67    68    69    63    64  
   66    67    68    69  
   60    61    62  
   61    62  
   62  
    0  
   70    75    76    71    72    73    74    64    65  
   65    70    71  
    0  
   67    68    69  
   68    69  
   69  
    0  
   75    76    71    72    73    74  
   72    73    74    75  
   73    74  
   74  
    0  
   76  
    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  -0.115000   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   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.470000   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   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    51   317.000  1.510
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   317.000  1.510
   41    53   440.000  1.360
   42    43   317.000  1.510
   42    44   270.000  1.512
   42    46   268.000  1.529
   43    50   469.000  1.400
   43    70   469.000  1.400
   50    52   469.000  1.400
   50    53   450.000  1.364
   52    56   469.000  1.400
   52    57   310.000  1.470
   56    63   469.000  1.400
   56    64   450.000  1.364
   63    70   469.000  1.400
   63    71   317.000  1.510
   70    75   450.000  1.364
   75    76   553.000  0.945
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   64    65   553.000  0.945
   57    58   570.000  1.229
   57    66   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   44    45   745.000  1.250
   44    51   465.000  1.376
   51    54   320.000  1.462
   54    55   570.000  1.229
   54    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   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    51    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    51    44    70.00000  124.00000
   33    51    54    65.00000  116.34900
   33    39    40    55.00000  108.50000
   37    41    42    70.00000  124.00000
   37    41    53    80.00000  120.01400
   41    37    38    35.00000  120.00000
   41    42    43    70.00000  112.99600
   41    42    44    70.00000  110.12100
   41    42    46    70.00000  112.02700
   41    53    50    90.00000  114.30300
   42    43    50    70.00000  120.00000
   42    43    70    70.00000  120.00000
   42    44    45    85.00000  112.85300
   42    44    51    65.00000  122.18000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    52    63.00000  120.00000
   43    50    53    70.00000  120.00000
   43    70    63    63.00000  120.00000
   43    70    75    70.00000  120.00000
   50    52    56    63.00000  120.00000
   50    52    57    60.00000  119.52600
   52    56    63    63.00000  120.00000
   52    56    64    70.00000  120.00000
   52    57    58    75.00000  123.78400
   52    57    66    65.00000  115.47100
   56    63    70    63.00000  120.00000
   56    63    71    70.00000  120.00000
   56    64    65    35.00000  113.00000
   63    70    75    70.00000  120.00000
   63    71    72    35.00000  109.50000
   63    71    73    35.00000  109.50000
   63    71    74    35.00000  109.50000
   70    43    50    63.00000  120.00000
   70    75    76    35.00000  113.00000
   71    63    70    70.00000  120.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   64    56    63    70.00000  120.00000
   57    52    56    60.00000  119.52600
   57    66    67    35.00000  109.50000
   57    66    68    35.00000  109.50000
   57    66    69    35.00000  109.50000
   66    57    58    80.00000  120.40000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    41    42    85.00000  112.85300
   53    50    52    70.00000  120.00000
   44    42    43    70.00000  112.99600
   44    51    54    60.00000  125.92000
   51    33    37    70.00000  110.12100
   51    44    45    65.00000  137.10300
   51    54    55    80.00000  123.72100
   51    54    59    65.00000  118.62400
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    62    35.00000  109.50000
   59    54    55    80.00000  120.40000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   46    42    43    70.00000  112.17500
   46    42    44    70.00000  112.02700
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    51    90.00000  110.39200
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    51  -0.62250  1.0 1.0
   24    29    33    51  -0.38450 -1.0 2.0
   24    29    33    51   0.81900  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    51    44   0.42700  1.0 1.0
   29    33    51    44  -0.70350 -1.0 2.0
   29    33    51    44  -0.43150  1.0 3.0
   29    33    51    54   0.09700  1.0 1.0
   29    33    51    54   0.15600 -1.0 2.0
   29    33    51    54  -0.50800  1.0 3.0
   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    53   7.00000 -1.0 2.0
   33    51    54    55  -0.64400  1.0 1.0
   33    51    54    55   0.26850 -1.0 2.0
   33    51    54    59   0.25700  1.0 1.0
   33    51    54    59   0.66200 -1.0 2.0
   33    51    54    59   0.04450  1.0 3.0
   37    33    51    44  -0.28300  1.0 1.0
   37    33    51    44   0.26700 -1.0 2.0
   37    33    51    44  -0.63300  1.0 3.0
   37    33    51    54   0.09700  1.0 1.0
   37    33    51    54   0.15600 -1.0 2.0
   37    33    51    54  -0.50800  1.0 3.0
   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    42    43   1.44450  1.0 1.0
   37    41    42    43   0.06600 -1.0 2.0
   37    41    42    43   0.29250  1.0 3.0
   37    41   -42    44  -0.28300  1.0 1.0
   37    41   -42    44   0.26700 -1.0 2.0
   37    41   -42    44  -0.63300  1.0 3.0
   37    41    42    46   0.09850  1.0 1.0
   37    41    42    46   0.15250 -1.0 2.0
   37    41    42    46  -0.50650  1.0 3.0
   37    41    53    50   2.00000 -1.0 2.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    53   7.00000 -1.0 2.0
   41    42   -43    50   0.18050 -1.0 2.0
   41    42    43    70   0.18050 -1.0 2.0
   41    42    44    45   0.09700  1.0 1.0
   41    42    44    45   0.15600 -1.0 2.0
   41    42    44    45  -0.50800  1.0 3.0
   41    42    44    51  -0.28300  1.0 1.0
   41    42    44    51   0.26700 -1.0 2.0
   41    42    44    51  -0.63300  1.0 3.0
   41    42    46    47   0.15000  1.0 3.0
   41    42    46    48   0.15000  1.0 3.0
   41    42    46    49   0.15000  1.0 3.0
   42    41   -53    50   2.00000 -1.0 2.0
   42    43    50    52   3.62500 -1.0 2.0
   42    43   -50    53   3.62500 -1.0 2.0
   42    43    70    63   3.62500 -1.0 2.0
   42    43    70    75   3.62500 -1.0 2.0
   42    44   -51    33   7.00000 -1.0 2.0
   42    44    51    54   7.00000 -1.0 2.0
   43    42    44    45   0.09700  1.0 1.0
   43    42    44    45   0.15600 -1.0 2.0
   43    42    44    45  -0.50800  1.0 3.0
   43    42    44    51   1.44450  1.0 1.0
   43    42    44    51   0.06600 -1.0 2.0
   43    42    44    51   0.29250  1.0 3.0
   43    42    46    47   0.43200  1.0 3.0
   43    42    46    48   0.43200  1.0 3.0
   43    42    46    49   0.43200  1.0 3.0
   43    50    52    56   3.62500 -1.0 2.0
   43    50    52    57   3.62500 -1.0 2.0
   43    50   -53    41   0.00000  1.0 1.0
   43    70    75    76   0.84100 -1.0 2.0
   50    43    70    63   3.62500 -1.0 2.0
   50    43    70    75   3.62500 -1.0 2.0
   50    52   -56    63   3.62500 -1.0 2.0
   50    52    56    64   3.62500 -1.0 2.0
   50    52    57    58   1.05000 -1.0 2.0
   50    52    57    66   2.26350  1.0 1.0
   50    52    57    66   0.76750 -1.0 2.0
   50    52    57    66   0.22500  1.0 3.0
   52    50    53    41   0.00000  1.0 1.0
   52    56    63    70   3.62500 -1.0 2.0
   52    56    63    71   3.62500 -1.0 2.0
   52    56    64    65   0.84100 -1.0 2.0
   52    57    66    67   0.00000  1.0 1.0
   52    57    66    68   0.00000  1.0 1.0
   52    57    66    69   0.00000  1.0 1.0
   56    52    57    58   1.05000 -1.0 2.0
   56    52    57    66   2.26350  1.0 1.0
   56    52    57    66   0.76750 -1.0 2.0
   56    52    57    66   0.22500  1.0 3.0
   56    63   -70    43   3.62500 -1.0 2.0
   56    63    70    75   3.62500 -1.0 2.0
   56    63    71    72   0.00000  1.0 1.0
   56    63    71    73   0.00000  1.0 1.0
   56    63    71    74   0.00000  1.0 1.0
   63    56    64    65   0.84100 -1.0 2.0
   63    70    75    76   0.84100 -1.0 2.0
   70    43   -50    52   3.62500 -1.0 2.0
   70    43    50    53   3.62500 -1.0 2.0
   70    63    71    72   0.00000  1.0 1.0
   70    63    71    73   0.00000  1.0 1.0
   70    63    71    74   0.00000  1.0 1.0
   71    63    70    43   3.62500 -1.0 2.0
   71    63    70    75   3.62500 -1.0 2.0
   64    56    63    70   3.62500 -1.0 2.0
   64    56    63    71   3.62500 -1.0 2.0
   57    52    56    63   3.62500 -1.0 2.0
   57    52    56    64   3.62500 -1.0 2.0
   58    57    66    67   0.00000  1.0 1.0
   58    57    66    68   0.00000  1.0 1.0
   58    57    66    69   0.00000  1.0 1.0
   53    41   -42    43   0.09700  1.0 1.0
   53    41   -42    43   0.15600 -1.0 2.0
   53    41   -42    43  -0.50800  1.0 3.0
   53    41    42    44   0.09700  1.0 1.0
   53    41    42    44   0.15600 -1.0 2.0
   53    41    42    44  -0.50800  1.0 3.0
   53    41    42    46   0.09700  1.0 1.0
   53    41    42    46   0.15600 -1.0 2.0
   53    41    42    46  -0.50800  1.0 3.0
   53    50    52    56   3.62500 -1.0 2.0
   53    50    52    57   3.62500 -1.0 2.0
   44    42    43    50   0.18050 -1.0 2.0
   44    42    43    70   0.18050 -1.0 2.0
   44    42    46    47   0.15000  1.0 3.0
   44    42    46    48   0.15000  1.0 3.0
   44    42    46    49   0.15000  1.0 3.0
   44    51    54    55   1.00000 -1.0 2.0
   44    51    54    59  -0.33500  1.0 1.0
   44    51    54    59   1.06600 -1.0 2.0
   44    51    54    59  -0.14000  1.0 3.0
   45    44    51    33   7.00000 -1.0 2.0
   45    44    51    54   7.00000 -1.0 2.0
   51    33    37    38   0.00000  1.0 1.0
   51    33   -37    41  -0.28300  1.0 1.0
   51    33   -37    41   0.26700 -1.0 2.0
   51    33   -37    41  -0.63300  1.0 3.0
   51    33    39    40  -0.07800  1.0 1.0
   51    33    39    40  -0.21500 -1.0 2.0
   51    33    39    40  -0.03150  1.0 3.0
   51    54    59    60   0.00000  1.0 1.0
   51    54    59    61   0.00000  1.0 1.0
   51    54    59    62   0.00000  1.0 1.0
   55    54    59    60   0.00000  1.0 1.0
   55    54    59    61   0.00000  1.0 1.0
   55    54    59    62   0.00000  1.0 1.0
   46    42    43    50   0.04150 -1.0 2.0
   46    42    43    70   0.04150 -1.0 2.0
   46    42    44    45   0.09700  1.0 1.0
   46    42    44    45   0.15600 -1.0 2.0
   46    42    44    45  -0.50800  1.0 3.0
   46    42    44    51   0.09850  1.0 1.0
   46    42    44    51   0.15250 -1.0 2.0
   46    42    44    51  -0.50650  1.0 3.0
   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    51    44   0.67800  1.0 1.0
   39    33    51    44   0.47050 -1.0 2.0
   39    33    51    44  -0.62500  1.0 3.0
   39    33    51    54   0.09700  1.0 1.0
   39    33    51    54   0.15600 -1.0 2.0
   39    33    51    54  -0.50800  1.0 3.0
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
   42    53    41    37   1.10000 -1.0 2.0
   50    70    43    42   4.00000 -1.0 2.0
   52    53    50    43   4.00000 -1.0 2.0
   56    57    52    50   4.00000 -1.0 2.0
   63    64    56    52   4.00000 -1.0 2.0
   70    71    63    56   4.00000 -1.0 2.0
   63    75    70    43   4.00000 -1.0 2.0
   52    66    57    58  10.50000 -1.0 2.0
   42    45    44    51   1.10000 -1.0 2.0
   33    54    51    44   1.10000 -1.0 2.0
   51    59    54    55  10.50000 -1.0 2.0
END
