* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    134    217     401
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02080   104.21253   -35.46141
    3     1 S   H    _H1_     3     1.02137    69.11938    69.44717
    4     1 S   H    _H2_     4     1.02113    43.95372  -137.79501
    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     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C18    36     1.80981    98.55983   161.81157
   34    33 S   HC   _H16    37     1.09456   109.03787   -58.93380
   35    33 S   HC   _H17    38     1.09552   109.15880    58.70838
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C17    39     1.48147   110.17993   179.97202
   40    39 S   CM   _C16    40     1.33930   128.75785   -89.59602
   41    40 S   OS   _O35    41     1.40408   114.79814  -178.18328
   42    40 S   OH   _O36    71     1.36810   124.63886     0.51129
   43    42 S   HO   _H18    72     0.96673   110.52145  -179.97202
   44    41 S   CT   _C10    42     1.43897   100.04720   -21.38664
   45    44 S   HC   _H5_    43     1.10241   106.11262   -80.84809
   46    39 S   CT   _C9_    44     1.49300   124.49670    96.74241
   47    46 S   HC   _H4_    45     1.10086   105.70952    85.04119
   48    46 S   CT   _C8_    46     1.52242   123.87934   -40.83187
   49    48 S   HC   _H3_    47     1.09586   112.01976   -52.26642
   50    48 S   CT   _C7_    48     1.54291   108.35715  -174.79342
   51    50 S   HC   _H10    49     1.09964   108.82114   177.10099
   52    50 S   HC   _H11    50     1.10035   107.92165   -69.97588
   53    48 S   OH   _O37    69     1.42471   110.55177    68.37534
   54    53 S   HO   _H19    70     0.97044   106.59729   177.73670
   55    50 S   CT   _C6_    51     1.55455   115.22596    52.48483
   56    55 S   CT   _C15    52     1.53620   109.56466    74.08311
   57    56 S   HC   _H14    53     1.09518   112.51912   -50.93478
   58    56 S   HC   _H15    54     1.09714   110.75981    67.35167
   59    55 S   CM   _C5_    64     1.51504   107.38675  -167.86248
   60    59 S   HC   _H9_    65     1.08608   117.12211  -120.05134
   61    56 S   OS   _O34    55     1.44421   114.06316  -172.49198
   62    59 S   CM   _C4_    66     1.33760   124.00950    59.99778
   63    62 S   HC   _H7_    67     1.08452   120.36684  -179.96574
   64    62 S   HC   _H8_    68     1.08395   121.57598    -0.05595
   65    61 S   CO4  _C14    56     1.35466   125.03341    30.83196
   66    65 S   O    _O33    57     1.22697   120.82457   171.61030
   67    65 S   CM   _C12    58     1.48123   116.67499   -10.04263
   68    44 S   CT   _C11    59     1.53619   115.25307   158.08868
   69    68 S   HC   _H6_    60     1.10069   107.66829   -59.18034
   70    67 S   CM   _C13    61     1.34222   117.00294  -165.34075
   71    70 S   HC   _H12    62     1.07964   120.35982   180.00000
   72    70 S   HC   _H13    63     1.08020   120.36529     0.06853
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  15   7  12   5  10
   6  15   6   5   2   1  14  11   5   4   8   4   5   3   1   1
   7   3   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    46  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    46    47    48    42  
   35    39    40    46  
   39    40    46  
   37    38  
   38  
    0  
   40    41    44    45    46    47    48    49    50    68    53    42    43  
   41    44    45    46    47    48    68    42    43  
   44    45    46    47    48    55    67    68    69    42    43  
   43    44    46  
    0  
   45    46    47    48    49    50    55    56    65    67    68    69    70    59    53  
   46    47    48    55    67    68    69  
   47    48    49    50    51    52    55    67    68    69    53    54  
   48    49    50    68    53  
   49    50    51    52    55    56    68    59    53    54  
   50    51    52    55    53    54  
   51    52    55    56    57    58    61    67    68    69    59    60    62    53    54  
   52    55    56    68    59    53  
   55    56    68    59    53  
   54    55  
    0  
   56    57    58    61    65    67    68    69    70    59    60    62    63    64  
   57    58    61    65    66    67    68    69    59    60    62  
   58    61    65    68    59  
   61    65    68    59  
   60    62    63    64    61    67    68    69  
   62    63    64    68  
   65    66    67    68    70  
   63    64    68  
   64  
    0  
   66    67    68    69    70    71    72  
   67    68    70  
   68    69    70    71    72  
   69    70    71    72  
   70  
   71    72  
   72  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    46   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    68   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   320.000  1.410
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   268.000  1.529
   55    68   268.000  1.529
   55    59   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   320.000  1.410
   61    65   214.000  1.327
   65    66   570.000  1.229
   65    67   320.000  1.462
   67    68   317.000  1.510
   67    70   549.000  1.340
   68    69   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   53    54   553.000  0.945
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    46    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    46    44    70.00000  112.02700
   39    46    47    35.00000  109.50000
   39    46    48    70.00000  112.02700
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    68    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    58.35000  112.70000
   44    68    55    58.35000  112.70000
   44    68    67    70.00000  112.02700
   44    68    69    37.50000  110.70000
   46    39    40    70.00000  124.00000
   46    44    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    53    50.00000  109.50000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    55    58.35000  112.70000
   48    53    54    55.00000  108.50000
   50    48    49    37.50000  110.70000
   50    55    56    58.35000  112.70000
   50    55    68    58.35000  112.70000
   50    55    59    70.00000  112.02700
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    56    57    37.50000  110.70000
   55    56    58    37.50000  110.70000
   55    56    61    50.00000  109.50000
   55    68    67    70.00000  112.02700
   55    68    69    37.50000  110.70000
   55    59    60    35.00000  117.00000
   55    59    62    70.00000  124.00000
   56    61    65    83.00000  116.90000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    65    66    83.00000  123.40000
   61    65    67    90.00000  111.29400
   65    67    68    65.00000  116.34900
   65    67    70    65.00000  118.96000
   67    65    66    80.00000  123.72100
   67    68    69    35.00000  109.50000
   67    70    71    35.00000  120.00000
   67    70    72    35.00000  120.00000
   68    44    45    37.50000  110.70000
   68    44    46    58.35000  112.70000
   68    55    56    58.35000  112.70000
   70    67    68    70.00000  124.00000
   72    70    71    35.00000  117.00000
   59    55    56    70.00000  112.02700
   59    55    68    70.00000  112.02700
   59    62    63    35.00000  120.00000
   59    62    64    35.00000  120.00000
   62    59    60    35.00000  120.00000
   64    62    63    35.00000  117.00000
   53    48    49    35.00000  109.50000
   53    48    50    50.00000  109.50000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    46   0.30250  1.0 1.0
   29    33    39    46  -0.14950 -1.0 2.0
   29    33    39    46   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    46    44   0.46850  1.0 1.0
   33    39    46    44   0.08550 -1.0 2.0
   33    39    46    44   0.09800  1.0 3.0
   33    39    46    47   0.34800  1.0 3.0
   33    39    46    48   0.46850  1.0 1.0
   33    39    46    48   0.08550 -1.0 2.0
   33    39    46    48   0.09800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    46   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   39    46    48    49   0.15000  1.0 3.0
   39    46    48    50   0.34400  1.0 1.0
   39    46    48    50   0.09450 -1.0 2.0
   39    46    48    50   0.11100  1.0 3.0
   39    46    48    53   1.05650  1.0 1.0
   39    46    48    53   0.15600 -1.0 2.0
   39    46    48    53   0.53150  1.0 3.0
   40    39   -46    44   0.09850  1.0 1.0
   40    39   -46    44   0.15250 -1.0 2.0
   40    39   -46    44  -0.50650  1.0 3.0
   40    39    46    47   0.00000  1.0 1.0
   40    39    46    48   0.09850  1.0 1.0
   40    39    46    48   0.15250 -1.0 2.0
   40    39    46    48  -0.50650  1.0 3.0
   40    41    44    45   0.08050  1.0 3.0
   40    41   -44    46  -0.46850  1.0 1.0
   40    41   -44    46   0.09300 -1.0 2.0
   40    41   -44    46  -0.12850  1.0 3.0
   40    41    44    68  -0.46850  1.0 1.0
   40    41    44    68   0.09300 -1.0 2.0
   40    41    44    68  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44   -46    39   0.61850  1.0 1.0
   41    44   -46    39  -0.22750 -1.0 2.0
   41    44   -46    39   0.15300  1.0 3.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.62750  1.0 1.0
   41    44    46    48  -0.30950 -1.0 2.0
   41    44    46    48   0.27300  1.0 3.0
   41    44    68    55   0.62750  1.0 1.0
   41    44    68    55  -0.30950 -1.0 2.0
   41    44    68    55   0.27300  1.0 3.0
   41    44    68    67   0.61850  1.0 1.0
   41    44    68    67  -0.22750 -1.0 2.0
   41    44    68    67   0.15300  1.0 3.0
   41    44    68    69   0.23400  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.56750  1.0 1.0
   44    46    48    50  -0.07550 -1.0 2.0
   44    46    48    50   0.20000  1.0 3.0
   44    46    48    53   0.86500  1.0 1.0
   44    46    48    53  -0.17500 -1.0 2.0
   44    46    48    53   0.20800  1.0 3.0
   45    44    46    39   0.15000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    68    55   0.15000  1.0 3.0
   45    44    68    67   0.15000  1.0 3.0
   45    44    68    69   0.15000  1.0 3.0
   46    39   -40    41   7.00000 -1.0 2.0
   46    39    40    42   7.00000 -1.0 2.0
   46    44    68    55   0.56750  1.0 1.0
   46    44    68    55  -0.07550 -1.0 2.0
   46    44    68    55   0.20000  1.0 3.0
   46    44    68    67   0.34400  1.0 1.0
   46    44    68    67   0.09450 -1.0 2.0
   46    44    68    67   0.11100  1.0 3.0
   46    44    68    69   0.15000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52   0.15000  1.0 3.0
   46    48   -50    55   0.56750  1.0 1.0
   46    48   -50    55  -0.07550 -1.0 2.0
   46    48   -50    55   0.20000  1.0 3.0
   46    48    53    54  -0.11600  1.0 1.0
   46    48    53    54  -0.09450 -1.0 2.0
   46    48    53    54   0.21250  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    53   0.23400  1.0 3.0
   48    50    55    56   0.56750  1.0 1.0
   48    50    55    56  -0.07550 -1.0 2.0
   48    50    55    56   0.20000  1.0 3.0
   48    50    55    68   0.56750  1.0 1.0
   48    50    55    68  -0.07550 -1.0 2.0
   48    50    55    68   0.20000  1.0 3.0
   48    50    55    59   0.34400  1.0 1.0
   48    50    55    59   0.09450 -1.0 2.0
   48    50    55    59   0.11100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    55   0.15000  1.0 3.0
   49    48    53    54   0.19450  1.0 3.0
   50    48    53    54  -0.11600  1.0 1.0
   50    48    53    54  -0.09450 -1.0 2.0
   50    48    53    54   0.21250  1.0 3.0
   50    55    56    57   0.15000  1.0 3.0
   50    55    56    58   0.15000  1.0 3.0
   50    55    56    61   0.62750  1.0 1.0
   50    55    56    61  -0.30950 -1.0 2.0
   50    55    56    61   0.27300  1.0 3.0
   50    55   -68    44   0.56750  1.0 1.0
   50    55   -68    44  -0.07550 -1.0 2.0
   50    55   -68    44   0.20000  1.0 3.0
   50    55    68    67   0.34400  1.0 1.0
   50    55    68    67   0.09450 -1.0 2.0
   50    55    68    67   0.11100  1.0 3.0
   50    55    68    69   0.15000  1.0 3.0
   50    55    59    60   0.00000  1.0 1.0
   50    55    59    62   0.09850  1.0 1.0
   50    55    59    62   0.15250 -1.0 2.0
   50    55    59    62  -0.50650  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    68   0.15000  1.0 3.0
   51    50    55    59   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    68   0.15000  1.0 3.0
   52    50    55    59   0.15000  1.0 3.0
   55    56    61    65  -0.25900  1.0 1.0
   55    56    61    65  -0.47000 -1.0 2.0
   55    56    61    65   0.11750  1.0 3.0
   55    59    62    63   7.00000 -1.0 2.0
   55    59    62    64   7.00000 -1.0 2.0
   56    55    68    44   0.56750  1.0 1.0
   56    55    68    44  -0.07550 -1.0 2.0
   56    55    68    44   0.20000  1.0 3.0
   56    55    68    67   0.34400  1.0 1.0
   56    55    68    67   0.09450 -1.0 2.0
   56    55    68    67   0.11100  1.0 3.0
   56    55    68    69   0.15000  1.0 3.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    62   0.09850  1.0 1.0
   56    55    59    62   0.15250 -1.0 2.0
   56    55    59    62  -0.50650  1.0 3.0
   56    61    65    66   3.00000 -1.0 2.0
   56    61   -65    67   2.00000 -1.0 2.0
   57    56    61    65   0.08050  1.0 3.0
   58    56    61    65   0.08050  1.0 3.0
   61    65    67    68  -0.15000  1.0 1.0
   61    65    67    68   0.89550 -1.0 2.0
   61    65    67    68  -0.06900  1.0 3.0
   61    65    67    70  -0.56150  1.0 1.0
   61    65    67    70   2.19150 -1.0 2.0
   65    67    68    44   0.09700  1.0 1.0
   65    67    68    44   0.15600 -1.0 2.0
   65    67    68    44  -0.50800  1.0 3.0
   65    67   -68    55   0.09700  1.0 1.0
   65    67   -68    55   0.15600 -1.0 2.0
   65    67   -68    55  -0.50800  1.0 3.0
   65    67    68    69   0.15000  1.0 3.0
   65    67    70    71   7.00000 -1.0 2.0
   65    67    70    72   7.00000 -1.0 2.0
   66    65    67    68  -0.64400  1.0 1.0
   66    65    67    68   0.26850 -1.0 2.0
   66    65    67    70   1.00000 -1.0 2.0
   68    44    46    39   0.34400  1.0 1.0
   68    44    46    39   0.09450 -1.0 2.0
   68    44    46    39   0.11100  1.0 3.0
   68    44    46    47   0.15000  1.0 3.0
   68    44   -46    48   0.56750  1.0 1.0
   68    44   -46    48  -0.07550 -1.0 2.0
   68    44   -46    48   0.20000  1.0 3.0
   68    55    56    57   0.15000  1.0 3.0
   68    55    56    58   0.15000  1.0 3.0
   68    55   -56    61   0.62750  1.0 1.0
   68    55   -56    61  -0.30950 -1.0 2.0
   68    55   -56    61   0.27300  1.0 3.0
   68    55    59    60   0.00000  1.0 1.0
   68    55    59    62   0.09850  1.0 1.0
   68    55    59    62   0.15250 -1.0 2.0
   68    55    59    62  -0.50650  1.0 3.0
   68    67    70    71   7.00000 -1.0 2.0
   68    67    70    72   7.00000 -1.0 2.0
   70    67    68    44   0.09850  1.0 1.0
   70    67    68    44   0.15250 -1.0 2.0
   70    67    68    44  -0.50650  1.0 3.0
   70    67    68    55   0.09850  1.0 1.0
   70    67    68    55   0.15250 -1.0 2.0
   70    67    68    55  -0.50650  1.0 3.0
   70    67    68    69   0.00000  1.0 1.0
   59    55    56    57   0.15000  1.0 3.0
   59    55    56    58   0.15000  1.0 3.0
   59    55    56    61   0.61850  1.0 1.0
   59    55    56    61  -0.22750 -1.0 2.0
   59    55    56    61   0.15300  1.0 3.0
   59    55    68    44   0.34400  1.0 1.0
   59    55    68    44   0.09450 -1.0 2.0
   59    55    68    44   0.11100  1.0 3.0
   59    55    68    67   0.31000  1.0 1.0
   59    55    68    67   0.14700 -1.0 2.0
   59    55    68    67   0.07550  1.0 3.0
   59    55    68    69   0.15000  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    64   7.00000 -1.0 2.0
   53    48    50    51   0.23400  1.0 3.0
   53    48    50    52   0.23400  1.0 3.0
   53    48    50    55   0.86500  1.0 1.0
   53    48    50    55  -0.17500 -1.0 2.0
   53    48    50    55   0.20800  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    46    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   61    67    65    66  10.50000 -1.0 2.0
   65    68    67    70   1.10000 -1.0 2.0
   71    72    70    67   1.10000 -1.0 2.0
   55    60    59    62  15.00000 -1.0 2.0
   63    64    62    59  15.00000 -1.0 2.0
END
