* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    129    211     384
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02144    91.72731   -66.20027
    3     1 S   H    _H1_     3     1.02031    88.78838    42.44414
    4     1 S   H    _H2_     4     1.02135    32.96137   170.93943
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.84347    97.51031   161.82181
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CO4  _C19    37     1.51594   106.04927    40.04604
   38    37 S   O    _O35    38     1.22726   123.25447   -93.79761
   39    33 S   CO3  _C21    71     1.52231    99.61625   -76.94467
   40    39 S   O2Z  _O37    72     1.26265   115.29583   -68.10515
   41    39 S   O2Z  _O36    73     1.26314   114.78932   111.96427
   42    37 S   CA   _C18    39     1.48260   117.07738    83.74294
   43    42 S   CA   _C13    40     1.39824   120.91970    15.32473
   44    43 S   CA   _C14    41     1.40055   119.60921  -178.75904
   45    44 S   HA   _H10    42     1.08692   121.36113  -179.88809
   46    43 S   CO4  _C12    50     1.48276   121.43415     2.97934
   47    46 S   O    _O34    51     1.22938   119.96172  -179.20574
   48    44 S   CA   _C15    43     1.39593   120.15975    -0.23903
   49    48 S   HA   _H11    44     1.08685   119.84353   179.92867
   50    33 S   CT   _C11    52     1.53460   111.47580   164.33781
   51    50 S   HC   _H9_    53     1.13591   108.41660    41.03246
   52    48 S   CA   _C16    45     1.39194   120.13181    -0.14127
   53    52 S   HA   _H12    46     1.08640   119.52620  -179.97202
   54    50 S   CA   _C8_    54     1.52620   114.84484   157.68628
   55    42 S   CA   _C17    47     1.40000   119.05613  -163.97676
   56    54 S   CA   _C7_    55     1.39453   120.38224  -118.72866
   57    55 S   OH   _O38    48     1.36400   122.84059     0.10087
   58    57 S   HO   _H13    49     0.96955   110.10035    -1.23606
   59    56 S   CA   _C6_    56     1.39557   119.99387   179.96574
   60    59 S   HA   _H6_    57     1.08770   120.11792   179.77971
   61    56 S   CO4  _C22    68     1.45724   121.21719    -0.15066
   62    61 S   O    _O39    69     1.23303   122.97774   120.09716
   63    61 S   HC   _H14    70     1.11004   117.26459   -59.88379
   64    59 S   CA   _C5_    58     1.39442   119.99131     0.01978
   65    64 S   CA   _C10    59     1.39453   120.01478    -0.01978
   66    65 S   HA   _H7_    60     1.08823   120.11326   179.97202
   67    64 S   CT   _C4_    64     1.49219   119.96633   179.93744
   68    67 S   HC   _H3_    65     1.09645   110.40691    90.02758
   69    67 S   HC   _H4_    66     1.09792   111.22363  -149.50158
   70    67 S   HC   _H5_    67     1.09737   111.27559   -30.57055
   71    54 S   CA   _C9_    61     1.39597   119.62869    61.22509
   72    71 S   OH   _O33    62     1.36199   120.82463    -0.03956
   73    72 S   HO   _H8_    63     0.97035   110.21623  -179.96044
  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  11   5   4   3
  15   2   1   1  14   5   7   2   1  12  12   9   4   8   3   5
   3   8   3   4   2  12   2  10   1   1  12   4   4   1   1   8
   8   3   4   2   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    50    51    54    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    55    46    47    50    51    54    56    71    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    52    55    57    46    50    51    54    39    40    41  
   42    43    55    50    39  
   40    41    42    46    50    51    54  
   41    50  
   50  
   43    44    45    48    52    53    55    57    58    46    47    50  
   44    45    48    49    52    55    57    46    47    50    51    54  
   45    48    49    52    53    55    46    47    50  
   48    49    52    46  
   47    50    51    54    56    71    48    55  
   50    51    54  
   49    52    53    55    57  
   52    53    55  
   51    54    56    59    65    71    72    61  
   54    56    71  
   53    55    57    58  
   55    57  
   56    59    60    64    65    66    71    72    73    61    62    63  
   57    58  
   59    60    64    65    71    72    67    61    62    63  
   58  
    0  
   60    64    65    66    71    67    68    69    70    61    62    63  
   64    65    67    61  
   62    63    64    71  
   63  
    0  
   65    66    71    72    67    68    69    70  
   66    71    72    73    67    68    69    70  
   71    72    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73  
   73  
    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   0.067500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   63   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   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  1.522
   33    50   268.000  1.529
   33    39   317.000  1.522
   37    38   570.000  1.229
   37    42   310.000  1.470
   42    43   469.000  1.400
   42    55   469.000  1.400
   43    44   469.000  1.400
   43    46   310.000  1.470
   44    45   367.000  1.080
   44    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    57   450.000  1.364
   57    58   553.000  0.945
   46    47   570.000  1.229
   46    50   317.000  1.522
   50    51   340.000  1.090
   50    54   317.000  1.510
   54    56   469.000  1.400
   54    71   469.000  1.400
   56    59   469.000  1.400
   56    61   310.000  1.470
   59    60   367.000  1.080
   59    64   469.000  1.400
   64    65   469.000  1.400
   64    67   317.000  1.510
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   450.000  1.364
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   61    62   570.000  1.229
   61    63   340.000  1.090
   39    40   656.000  1.250
   39    41   656.000  1.250
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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    70.00000  116.78000
   33    37    38    80.00000  120.40000
   33    37    42    65.00000  115.47100
   33    50    46    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    54    70.00000  112.17500
   33    39    40    70.00000  117.00000
   33    39    41    70.00000  117.00000
   37    42    43    60.00000  119.52600
   37    42    55    60.00000  119.52600
   42    37    38    75.00000  123.78400
   42    43    44    63.00000  120.00000
   42    43    46    60.00000  119.52600
   42    55    52    63.00000  120.00000
   42    55    57    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    48    63.00000  120.00000
   43    46    47    75.00000  123.78400
   43    46    50    65.00000  115.47100
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   48    44    45    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    57    70.00000  120.00000
   55    42    43    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    57    58    35.00000  113.00000
   46    43    44    60.00000  119.52600
   46    50    51    35.00000  109.50000
   46    50    54    70.00000  110.93000
   50    33    37    63.00000  111.10000
   50    46    47    80.00000  120.40000
   50    54    56    70.00000  120.00000
   50    54    71    70.00000  120.00000
   54    50    51    35.00000  109.50000
   54    56    59    63.00000  120.00000
   54    56    61    60.00000  119.52600
   54    71    65    63.00000  120.00000
   54    71    72    70.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    64    63.00000  120.00000
   56    61    62    75.00000  123.78400
   56    61    63    35.00000  115.00000
   59    64    65    63.00000  120.00000
   59    64    67    70.00000  120.00000
   64    59    60    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    71    63.00000  120.00000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    70    35.00000  109.50000
   65    71    72    70.00000  120.00000
   71    54    56    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  113.00000
   67    64    65    70.00000  120.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   61    56    59    60.00000  119.52600
   63    61    62    35.00000  123.00000
   39    33    37    70.00000  107.85200
   39    33    50    70.00000  109.69300
   41    39    40    80.00000  126.00000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    42   0.65300  1.0 1.0
   29    33    37    42  -0.03850 -1.0 2.0
   29    33    37    42   0.33900  1.0 3.0
   29    33    50    46   0.56750  1.0 1.0
   29    33    50    46  -0.07550 -1.0 2.0
   29    33    50    46   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.56750  1.0 1.0
   29    33    50    54  -0.07550 -1.0 2.0
   29    33    50    54   0.20000  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   29    33    39    41   0.30150 -1.0 2.0
   33    37    42    43   2.26350  1.0 1.0
   33    37    42    43   0.76750 -1.0 2.0
   33    37    42    43   0.22500  1.0 3.0
   33    37    42    55   2.26350  1.0 1.0
   33    37    42    55   0.76750 -1.0 2.0
   33    37    42    55   0.22500  1.0 3.0
   33    50    54    56   0.04150 -1.0 2.0
   33    50    54    71   0.04150 -1.0 2.0
   37    33    50    46   0.11950  1.0 1.0
   37    33    50    46   0.20300 -1.0 2.0
   37    33    50    46  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    54   0.56750  1.0 1.0
   37    33    50    54  -0.07550 -1.0 2.0
   37    33    50    54   0.20000  1.0 3.0
   37    33    39    40   0.30150 -1.0 2.0
   37    33    39    41   0.30150 -1.0 2.0
   37    42    43    44   3.62500 -1.0 2.0
   37    42   -43    46   3.62500 -1.0 2.0
   37    42    55    52   3.62500 -1.0 2.0
   37    42    55    57   3.62500 -1.0 2.0
   38    37    42    43   1.05000 -1.0 2.0
   38    37    42    55   1.05000 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43    46    47   1.05000 -1.0 2.0
   42    43    46    50   2.26350  1.0 1.0
   42    43    46    50   0.76750 -1.0 2.0
   42    43    46    50   0.22500  1.0 3.0
   42    55    57    58   0.84100 -1.0 2.0
   43    42    55    52   3.62500 -1.0 2.0
   43    42    55    57   3.62500 -1.0 2.0
   43    44    48    49   3.62500 -1.0 2.0
   43    44   -48    52   3.62500 -1.0 2.0
   43    46   -50    33   0.05850 -1.0 2.0
   43    46   -50    33   0.17250  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.65300  1.0 1.0
   43    46    50    54  -0.03850 -1.0 2.0
   43    46    50    54   0.33900  1.0 3.0
   44    43    46    47   1.05000 -1.0 2.0
   44    43    46    50   2.26350  1.0 1.0
   44    43    46    50   0.76750 -1.0 2.0
   44    43    46    50   0.22500  1.0 3.0
   44    48    52    53   3.62500 -1.0 2.0
   44    48    52    55   3.62500 -1.0 2.0
   45    44    48    49   3.62500 -1.0 2.0
   45    44    48    52   3.62500 -1.0 2.0
   48    52   -55    42   3.62500 -1.0 2.0
   48    52    55    57   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    55   3.62500 -1.0 2.0
   52    55    57    58   0.84100 -1.0 2.0
   53    52    55    42   3.62500 -1.0 2.0
   53    52    55    57   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    46   3.62500 -1.0 2.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    48   3.62500 -1.0 2.0
   46    50    54    56   0.04300 -1.0 2.0
   46    50    54    71   0.04300 -1.0 2.0
   47    46    50    33   0.30150 -1.0 2.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    54   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    42   0.05850 -1.0 2.0
   50    33   -37    42   0.17250  1.0 3.0
   50    33    39    40   0.41150 -1.0 2.0
   50    33    39    41   0.41150 -1.0 2.0
   50    54    56    59   3.62500 -1.0 2.0
   50    54    56    61   3.62500 -1.0 2.0
   50    54    71    65   3.62500 -1.0 2.0
   50    54    71    72   3.62500 -1.0 2.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    71   0.00000  1.0 1.0
   54    56    59    60   3.62500 -1.0 2.0
   54    56    59    64   3.62500 -1.0 2.0
   54    56    61    62   1.05000 -1.0 2.0
   54    56    61    63   0.56600 -1.0 2.0
   54    71    72    73   0.84100 -1.0 2.0
   56    54    71    65   3.62500 -1.0 2.0
   56    54    71    72   3.62500 -1.0 2.0
   56    59   -64    65   3.62500 -1.0 2.0
   56    59    64    67   3.62500 -1.0 2.0
   59    56    61    62   1.05000 -1.0 2.0
   59    56    61    63   0.56600 -1.0 2.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    71   3.62500 -1.0 2.0
   59    64    67    68   0.00000  1.0 1.0
   59    64    67    69   0.00000  1.0 1.0
   59    64    67    70   0.00000  1.0 1.0
   60    59    64    65   3.62500 -1.0 2.0
   60    59    64    67   3.62500 -1.0 2.0
   64    65   -71    54   3.62500 -1.0 2.0
   64    65    71    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    69   0.00000  1.0 1.0
   65    64    67    70   0.00000  1.0 1.0
   65    71    72    73   0.84100 -1.0 2.0
   66    65    71    54   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   71    54   -56    59   3.62500 -1.0 2.0
   71    54    56    61   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    71   3.62500 -1.0 2.0
   61    56    59    60   3.62500 -1.0 2.0
   61    56    59    64   3.62500 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    42   0.65300  1.0 1.0
   39    33    37    42  -0.03850 -1.0 2.0
   39    33    37    42   0.33900  1.0 3.0
   39    33    50    46  -0.30950  1.0 1.0
   39    33    50    46   1.11150 -1.0 2.0
   39    33    50    46   0.40350  1.0 3.0
   39    33    50    51  -0.11250  1.0 3.0
   39    33    50    54  -2.95950  1.0 1.0
   39    33    50    54   0.02300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    38  10.50000 -1.0 2.0
   43    55    42    37   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   48    45    44    43   1.10000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   52    57    55    42   4.00000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
   56    71    54    50   4.00000 -1.0 2.0
   59    61    56    54   4.00000 -1.0 2.0
   64    60    59    56   1.10000 -1.0 2.0
   65    67    64    59   4.00000 -1.0 2.0
   71    66    65    64   1.10000 -1.0 2.0
   65    72    71    54   4.00000 -1.0 2.0
   56    63    61    62  10.50000 -1.0 2.0
   40    33    39    41  10.50000 -1.0 2.0
END
