* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    136    216     399
    1     0 S   NP   _N1_     1    29.03984    93.05449   -20.34760
    2     1 S   H    _HN1     2     1.02786    85.47217   -73.81583
    3     1 S   H    _H1_     3     1.02954   102.76983    33.91970
    4     1 S   H    _H2_     4     1.02839    26.08117   136.79912
    5     1 S   CT   _CA1     5     1.50142   133.78657   169.51838
    6     5 S   HC   _HA1     6     1.09563   105.26499    44.79191
    7     5 S   CO3  _C1_     7     1.53882   112.14030   -75.55398
    8     7 S   O2Z  _O11     8     1.26444   115.10571   -46.87716
    9     7 S   O2Z  _O12     9     1.26213   114.98652   132.09760
   10     5 S   CT   _CB1    10     1.53072   107.41048   162.81527
   11    10 S   HC   HB11    11     1.09821   109.66615   -47.85663
   12    10 S   HC   HB12    12     1.09834   110.26998    68.74184
   13    10 S   CT   _CG1    13     1.53066   112.66280  -168.89108
   14    13 S   HC   HG11    14     1.09503   110.41687   -55.53708
   15    13 S   HC   HG12    15     1.09607   110.23120    63.48660
   16    13 S   C    _CD1    16     1.51839   111.69064  -176.53310
   17    16 S   O    _OE1    17     1.22784   122.95043   -18.95384
   18    16 S   N    _N2_    18     1.38569   112.03910   161.78345
   19    18 S   H    _HN2    19     1.01589   119.07244     1.45307
   20    18 S   CT1  _CA2    20     1.46320   123.32632  -175.85797
   21    20 S   HC   _HA2    21     1.09729   109.34468   -15.32563
   22    20 S   C    _C2_    22     1.53340   108.49553  -131.23453
   23    22 S   O    _O2_    23     1.23012   122.23882  -146.34297
   24    20 S   CT   _CB2    32     1.53577   111.14641   106.58956
   25    24 S   HC   HB21    33     1.09513   109.26534    56.72845
   26    24 S   HC   HB22    34     1.09499   110.84574   175.23178
   27    22 S   N    _N3_    24     1.38512   113.35154    41.10463
   28    27 S   H    _HN3    25     1.01533   118.89470    -0.64680
   29    24 S   S    _SG2    35     1.82669   111.46814   -65.04317
   30    27 S   CT   _CA3    26     1.45438   123.38582   175.13188
   31    30 S   HC   HA31    27     1.09529   109.15347    25.98470
   32    30 S   HC   HA32    28     1.09494   107.14445   142.96474
   33    29 S   CT   _C18    36     1.83201    99.70873   152.92797
   34    33 S   F    F1__    37     1.36224   109.86719   -44.92125
   35    33 S   F    F2__    38     1.36819   107.43517    67.74860
   36    30 S   CO3  _C3_    29     1.52924   113.16673   -97.44053
   37    36 S   O2Z  _O31    30     1.26399   115.42778   -44.50174
   38    36 S   O2Z  _O32    31     1.26360   114.97408   136.45383
   39    33 S   CA   _C14    39     1.51711   110.21562  -170.20509
   40    39 S   CA   _C13    40     1.41471   116.88208   -87.34870
   41    40 S   HA   _H12    41     1.09105   118.56683     0.21489
   42    40 S   CA   _C12    42     1.40415   123.13394  -179.82529
   43    42 S   CA   _C17    43     1.39359   116.66016     0.76413
   44    43 S   CA   _C16    44     1.39814   122.27231    -0.74913
   45    44 S   HA   _H13    45     1.08596   118.83501   179.44893
   46    43 S   SY   _S1_    53     1.76150   120.27833   178.53473
   47    46 S   OY   _O33    54     1.44940   107.69173  -130.36316
   48    46 S   OY   _O34    55     1.44845   106.62860    97.86014
   49    39 S   CA   _C15    46     1.40723   125.29786    92.53619
   50    46 S   NS   _N5_    56     1.69863   101.71920   -17.26568
   51    50 S   H    _H14    57     1.02621   115.96276   -97.00397
   52    49 S   SY   _S2_    47     1.77956   121.76369    -0.69521
   53    52 S   OY   _O35    48     1.44797   107.73470   -48.76718
   54    52 S   OY   _O36    49     1.44846   106.31184    83.82028
   55    50 S   CT   _C11    58     1.47606   117.60060    43.52279
   56    55 S   HC   _H3_    59     1.09747   105.92666  -169.22318
   57    52 S   NS   _N6_    50     1.70335   104.19267  -161.83604
   58    57 S   H    _H15    51     1.03171   115.79717   112.30651
   59    57 S   H    _H16    52     1.02618   116.22190  -111.76412
   60    42 S   NE   _N4_    60     1.38214   118.89976   179.06917
   61    60 S   H    _H11    61     1.01429   118.04665     5.57373
   62    55 S   CT   _C10    62     1.53673   111.19843    72.82223
   63    62 S   HC   _H9_    63     1.09827   110.06265    43.18594
   64    62 S   HC   _H10    64     1.09701   111.16606   -73.48620
   65    62 S   CA   _C7_    65     1.51149   112.67947   164.27334
   66    65 S   CA   _C6_    66     1.40157   120.42919   -82.01900
   67    66 S   HA   _H6_    67     1.08724   120.36941    -0.84418
   68    66 S   CA   _C5_    68     1.39566   120.40942   179.15559
   69    68 S   HA   _H5_    69     1.08631   119.95464   179.90721
   70    68 S   CA   _C4_    70     1.39374   120.07527    -0.12972
   71    70 S   HA   _H4_    71     1.08620   120.01813  -180.00000
   72    70 S   CA   _C9_    72     1.39368   119.96613    -0.01978
   73    72 S   HA   _H8_    73     1.08631   119.98334  -179.93439
   74    65 S   CA   _C8_    74     1.40175   120.49962    96.86732
   75    74 S   HA   _H7_    75     1.08738   120.39953     0.75433
  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
   9   4   3   2   1   1  12  10   4  13  12  11   3   9   4   3
   6   9   4   5   4   3   9   6   2   1   1   5   1   9   4   3
   9   8   4   6   3   5   3   3   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    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    44    49    52  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    49    52    53    54    57    60  
   41    42    43    44    49    52    46    55    60    61  
   42    43    49    60  
   43    44    45    49    46    47    48    50    55    56    60    61    62  
   44    45    49    52    46    47    48    50    51    55    60    61  
   45    49    52    53    54    57    46    47    48    50    60  
   49    52    46  
   47    48    50    51    55    56    60    62    49  
   48    50    51    55  
   50    51    55  
   52    53    54    57    58    59  
   51    55    56    60    61    62    63    64    65  
   55    56    60    62  
   53    54    57    58    59  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    64    65    66    74  
   60    61    62    63    64    65  
   58    59  
   59  
    0  
   61    62    63    64    65  
   62  
   63    64    65    66    67    68    72    74    75  
   64    65    66    74  
   65    66    74  
   66    67    68    69    70    72    73    74    75  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   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   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.156700   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   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   47   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700   0.156700   2.5000   1.7750   0.001000000  -0.843144165
   50   3.2500   0.1700  -0.652700   2.1120   1.8750   0.051222218  -2.220205820
   51   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.2500   0.832700   2.0020   1.7750   0.025682759  -1.666211680
   53   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9600   0.1700  -0.468000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.254600   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.073300   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.767800   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   59   0.5000   0.0300   0.357200   0.9960   0.8600   0.030040813  -0.651083722
   60   3.3000   0.1700  -0.702500   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.031700   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    49   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    60   481.000  1.340
   43    44   469.000  1.400
   43    46   225.000  1.779
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    52   225.000  1.779
   52    53   735.000  1.471
   52    54   735.000  1.471
   52    57   245.000  1.722
   57    58   500.000  1.020
   57    59   500.000  1.020
   46    47   735.000  1.471
   46    48   735.000  1.471
   46    50   245.000  1.722
   50    51   500.000  1.020
   50    55   300.000  1.458
   55    56   340.000  1.090
   55    60   382.000  1.448
   55    62   268.000  1.529
   60    61   434.000  1.010
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   317.000  1.510
   65    66   469.000  1.400
   65    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    49    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    49    44    63.00000  120.00000
   39    49    52    65.00000  117.06700
   40    42    43    63.00000  120.00000
   40    42    60    70.00000  120.10000
   42    40    41    35.00000  120.00000
   42    43    44    63.00000  120.00000
   42    43    46    65.00000  117.06700
   42    60    55    50.00000  120.00000
   42    60    61    35.00000  113.50000
   43    44    45    35.00000  120.00000
   43    44    49    63.00000  120.00000
   43    46    47   100.00000  107.67100
   43    46    48   100.00000  107.67100
   43    46    50    95.00000  101.59200
   44    49    52    65.00000  117.06700
   49    39    40    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    52    53   100.00000  107.67100
   49    52    54   100.00000  107.67100
   49    52    57    95.00000  101.59200
   52    57    58    50.00000  110.93800
   52    57    59    50.00000  110.93800
   54    52    53   115.00000  120.17200
   57    52    53   115.00000  107.22500
   57    52    54   115.00000  107.22500
   59    57    58    35.00000  109.80100
   46    43    44    65.00000  117.06700
   46    50    51    50.00000  110.93800
   46    50    55    75.00000  117.08200
   48    46    47   115.00000  120.17200
   50    46    47   115.00000  107.22500
   50    46    48   115.00000  107.22500
   50    55    56    50.00000  109.35000
   50    55    60    85.00000  107.56000
   50    55    62    80.00000  110.21000
   55    50    51    45.00000  110.67700
   55    60    61    35.00000  112.50000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    70.00000  112.17500
   60    42    43    70.00000  120.10000
   60    55    56    35.00000  109.50000
   62    55    56    37.50000  110.70000
   62    55    60    80.00000  111.61500
   62    65    66    70.00000  120.00000
   62    65    74    70.00000  120.00000
   64    62    63    33.00000  107.80000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    74    72    63.00000  120.00000
   65    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    65    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
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    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    49  -0.16000  1.0 1.0
   29    33    39    49  -0.03200 -1.0 2.0
   29    33    39    49   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    49    44   3.62500 -1.0 2.0
   33    39    49    52   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    60   3.62500 -1.0 2.0
   39    49    52    53   0.19500  1.0 1.0
   39    49    52    53   0.12000 -1.0 2.0
   39    49    52    54   0.19500  1.0 1.0
   39    49    52    54   0.12000 -1.0 2.0
   39    49    52    57  -0.49050  1.0 1.0
   39    49    52    57   0.22250 -1.0 2.0
   39    49    52    57  -0.39350  1.0 3.0
   40    39    49    44   3.62500 -1.0 2.0
   40    39    49    52   3.62500 -1.0 2.0
   40    42   -43    44   3.62500 -1.0 2.0
   40    42    43    46   3.62500 -1.0 2.0
   40    42    60    55  -1.00000  1.0 1.0
   40    42    60    55   1.25000 -1.0 2.0
   40    42    60    61   1.00000 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    60   3.62500 -1.0 2.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    49   3.62500 -1.0 2.0
   42    43    46    47   0.19500  1.0 1.0
   42    43    46    47   0.12000 -1.0 2.0
   42    43    46    48   0.19500  1.0 1.0
   42    43    46    48   0.12000 -1.0 2.0
   42    43    46    50  -0.49050  1.0 1.0
   42    43    46    50   0.22250 -1.0 2.0
   42    43    46    50  -0.39350  1.0 3.0
   43    42    60    55  -1.00000  1.0 1.0
   43    42    60    55   1.25000 -1.0 2.0
   43    42    60    61   1.00000 -1.0 2.0
   43    44   -49    39   3.62500 -1.0 2.0
   43    44    49    52   3.62500 -1.0 2.0
   43    46    50    51   1.01100  1.0 1.0
   43    46    50    51  -0.22250 -1.0 2.0
   43    46    50    51   1.33750  1.0 3.0
   43    46   -50    55  -0.64500  1.0 1.0
   43    46   -50    55  -1.19050 -1.0 2.0
   43    46   -50    55  -0.04400  1.0 3.0
   44    43    46    47   0.19500  1.0 1.0
   44    43    46    47   0.12000 -1.0 2.0
   44    43    46    48   0.19500  1.0 1.0
   44    43    46    48   0.12000 -1.0 2.0
   44    43    46    50  -0.49050  1.0 1.0
   44    43    46    50   0.22250 -1.0 2.0
   44    43    46    50  -0.39350  1.0 3.0
   44    49    52    53   0.19500  1.0 1.0
   44    49    52    53   0.12000 -1.0 2.0
   44    49    52    54   0.19500  1.0 1.0
   44    49    52    54   0.12000 -1.0 2.0
   44    49    52    57  -0.49050  1.0 1.0
   44    49    52    57   0.22250 -1.0 2.0
   44    49    52    57  -0.39350  1.0 3.0
   45    44    49    39   3.62500 -1.0 2.0
   45    44    49    52   3.62500 -1.0 2.0
   49    39    40    41   3.62500 -1.0 2.0
   49    39   -40    42   3.62500 -1.0 2.0
   49    52    57    58   1.01100  1.0 1.0
   49    52    57    58  -0.22250 -1.0 2.0
   49    52    57    58   1.33750  1.0 3.0
   49    52    57    59   1.01100  1.0 1.0
   49    52    57    59  -0.22250 -1.0 2.0
   49    52    57    59   1.33750  1.0 3.0
   53    52    57    58   1.12100  1.0 1.0
   53    52    57    58   0.54800 -1.0 2.0
   53    52    57    58  -0.29400  1.0 3.0
   53    52    57    59   1.12100  1.0 1.0
   53    52    57    59   0.54800 -1.0 2.0
   53    52    57    59  -0.29400  1.0 3.0
   54    52    57    58   1.12100  1.0 1.0
   54    52    57    58   0.54800 -1.0 2.0
   54    52    57    58  -0.29400  1.0 3.0
   54    52    57    59   1.12100  1.0 1.0
   54    52    57    59   0.54800 -1.0 2.0
   54    52    57    59  -0.29400  1.0 3.0
   46    43    44    45   3.62500 -1.0 2.0
   46    43    44    49   3.62500 -1.0 2.0
   46    50    55    56   0.15000  1.0 3.0
   46    50    55    60   0.23200  1.0 1.0
   46    50    55    60   0.02100 -1.0 2.0
   46    50    55    60   0.24950  1.0 3.0
   46    50    55    62  -0.71500  1.0 1.0
   46    50    55    62  -0.42400 -1.0 2.0
   46    50    55    62   0.18500  1.0 3.0
   47    46    50    51   1.12100  1.0 1.0
   47    46    50    51   0.54800 -1.0 2.0
   47    46    50    51  -0.29400  1.0 3.0
   47    46    50    55  -0.30400  1.0 1.0
   47    46    50    55   0.50450 -1.0 2.0
   47    46    50    55   0.65550  1.0 3.0
   48    46    50    51   1.12100  1.0 1.0
   48    46    50    51   0.54800 -1.0 2.0
   48    46    50    51  -0.29400  1.0 3.0
   48    46    50    55  -0.30400  1.0 1.0
   48    46    50    55   0.50450 -1.0 2.0
   48    46    50    55   0.65550  1.0 3.0
   50    55   -60    42  -0.12500  1.0 1.0
   50    55   -60    42  -0.12500 -1.0 2.0
   50    55   -60    42   0.25000  1.0 3.0
   50    55    60    61  -0.12500  1.0 1.0
   50    55    60    61  -0.12500 -1.0 2.0
   50    55    60    61   0.25000  1.0 3.0
   50    55    62    63   0.15000  1.0 3.0
   50    55    62    64   0.15000  1.0 3.0
   50    55    62    65   0.83750  1.0 1.0
   50    55    62    65   0.32200 -1.0 2.0
   50    55    62    65   0.70600  1.0 3.0
   51    50    55    56   0.07700  1.0 3.0
   51    50    55    60  -0.05900  1.0 1.0
   51    50    55    60   0.08350 -1.0 2.0
   51    50    55    60   0.12500  1.0 3.0
   51    50    55    62  -0.34300  1.0 1.0
   51    50    55    62  -0.06000 -1.0 2.0
   55    62    65    66   0.04150 -1.0 2.0
   55    62    65    74   0.04150 -1.0 2.0
   56    55    60    42   0.00000  1.0 1.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    65   0.43200  1.0 3.0
   60    42    43    44   3.62500 -1.0 2.0
   60    42   -43    46   3.62500 -1.0 2.0
   60    55    62    63   0.22950  1.0 3.0
   60    55    62    64   0.22950  1.0 3.0
   60    55    62    65   0.08550  1.0 1.0
   60    55    62    65   1.07500 -1.0 2.0
   60    55    62    65  -0.10950  1.0 3.0
   62    55    60    42  -0.12500  1.0 1.0
   62    55    60    42  -0.12500 -1.0 2.0
   62    55    60    42   0.25000  1.0 3.0
   62    55    60    61   0.00000  1.0 1.0
   62    65    66    67   3.62500 -1.0 2.0
   62    65    66    68   3.62500 -1.0 2.0
   62    65    74    72   3.62500 -1.0 2.0
   62    65    74    75   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    74   0.00000  1.0 1.0
   64    62    65    66   0.00000  1.0 1.0
   64    62    65    74   0.00000  1.0 1.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    74    72   3.62500 -1.0 2.0
   66    65    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    65   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    65   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    65    66    67   3.62500 -1.0 2.0
   74    65   -66    68   3.62500 -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
   40    49    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    60    42    40   4.00000 -1.0 2.0
   44    46    43    42   4.00000 -1.0 2.0
   49    45    44    43   1.10000 -1.0 2.0
   44    52    49    39   4.00000 -1.0 2.0
   59    52    57    58   1.00000 -1.0 2.0
   51    46    50    55   1.00000 -1.0 2.0
   61    42    60    55   1.00000 -1.0 2.0
   66    74    65    62   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    65   1.10000 -1.0 2.0
END
