* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    141    226     412
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02137    83.88612   -78.45419
    3     1 S   H    _H1_     3     1.02107    95.93182    29.82406
    4     1 S   H    _H2_     4     1.02104    34.20032   144.69362
    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   _C5_    36     1.84337    97.49149   159.98259
   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   CT   _C7_    37     1.52724   108.61149    59.98499
   38    37 S   HC   _H3_    38     1.10058   108.95171   -62.42138
   39    33 S   CT   _C4_    68     1.53748   107.38160   179.56659
   40    39 S   HC   _H4_    69     1.09639   110.40427    61.64139
   41    39 S   HC   _H5_    70     1.09573   111.61600  -179.27882
   42    39 S   HC   _H6_    71     1.09727   112.20377   -57.79902
   43    33 S   CT   _C6_    72     1.54387   108.98558   -62.28075
   44    43 S   HC   _H7_    73     1.09697   109.85249    80.18232
   45    43 S   HC   _H8_    74     1.09608   111.98534  -160.21344
   46    37 S   CT   _C8_    39     1.53319   113.00723   174.42817
   47    46 S   HC   _H10    40     1.09578   110.30315   139.90055
   48    46 S   HC   _H11    41     1.09696   111.11668    17.55209
   49    37 S   OS   _O36    50     1.44448   108.83107    54.14714
   50    43 S   OH   _O33    75     1.42262   111.17248   -38.54141
   51    50 S   HO   _H9_    76     0.96997   106.68354  -180.00000
   52    46 S   CA   _C9_    42     1.48962   101.05747   -99.48306
   53    52 S   CA   _C14    43     1.40027   131.70515   166.94293
   54    53 S   CA   _C13    44     1.41725   115.39124  -177.59979
   55    53 S   NE   _N4_    63     1.40999   125.92668     0.80649
   56    54 S   CA   _C12    45     1.41002   122.69405    -3.64035
   57    56 S   OM   _O35    46     1.28358   123.96322  -177.32834
   58    54 S   CO4  _C21    51     1.48113   119.30939   175.66754
   59    58 S   O    _O34    52     1.22387   121.00603   171.58028
   60    55 S   CT   _C22    64     1.46314   119.84295    21.07478
   61    60 S   HC   _H17    65     1.09271   110.12059   -93.89118
   62    60 S   HC   _H18    66     1.09312   110.23331   146.08343
   63    60 S   HC   _H19    67     1.09321   110.22466    26.12184
   64    56 S   CA   _C11    47     1.38781   120.17994     1.78070
   65    64 S   HA   _H12    48     1.08725   122.80981  -177.17569
   66    58 S   CA   _C20    53     1.47769   118.38067    -9.67530
   67    52 S   CA   _C10    49     1.39779   107.14233   -13.33398
   68    66 S   CA   _C19    54     1.40186   119.23990  -169.34595
   69    68 S   HA   _H16    55     1.08621   121.54020    -1.63566
   70    68 S   CA   _C18    56     1.39049   119.81241   178.95601
   71    70 S   HA   _H15    57     1.08591   120.15922   179.09302
   72    70 S   CA   _C17    58     1.39026   119.71682    -0.29342
   73    72 S   HA   _H14    59     1.08631   119.92149  -179.78878
   74    72 S   CA   _C16    60     1.39873   120.22099     0.63396
   75    74 S   HA   _H13    61     1.08645   117.13880   179.26405
   76    66 S   CA   _C15    62     1.40616   118.98072    10.64241
  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  13   5   4   3
  17   2   1   1  17   8   9   3   2   1   6   3   2   9   5   4
   6   1   1  10  15  12  13   7   4   8   3   6   3   2   1   2
   1   8   1   7   4   6   3   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    49    39    40    41    42    43    44    45    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    48    52    67    49    39    40    41    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    46    47    48    52    53    64    67    49    39    40    41    42    43    44    45    50  
   46    47    48    52    67    49    39    43  
   40    41    42    43    44    45    50    46    49  
   41    42    43  
   42    43  
   43  
   44    45    50    51    46    49  
   45    50    51  
   50    51  
   47    48    52    53    54    64    67    49    55  
   48    52    53    67    49  
   52    53    67    49  
   52    53    56    64    65    67  
   51  
    0  
   53    54    56    64    65    67    58    76    55    60  
   54    56    57    64    67    58    59    66    74    76    55    60    61    62    63  
   56    57    64    65    67    58    59    66    68    76    55    60  
   60    61    62    63    56    58    66    67    68    72    74    75    76  
   57    64    65    67    58    59    66  
   64    65    67    58  
   59    66    68    69    70    74    76    64  
   66    68    76  
   61    62    63    66    74    76  
   62    63    76  
   63    76  
   76  
   65    67  
   67  
   68    69    70    71    72    74    75    76  
    0  
   69    70    71    72    73    74    76  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   56   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   58   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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
   76   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    46   268.000  1.529
   37    49   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    52   317.000  1.510
   52    53   469.000  1.400
   52    67   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   469.000  1.400
   54    58   310.000  1.470
   56    57   450.000  1.364
   56    64   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    49   450.000  1.364
   58    59   570.000  1.229
   58    66   310.000  1.470
   66    68   469.000  1.400
   66    76   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
   74    76   469.000  1.400
   76    55   481.000  1.340
   55    60   382.000  1.448
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   320.000  1.410
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    37    49    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    50    50.00000  109.50000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    52    70.00000  112.17500
   37    49    67    75.00000  111.00000
   46    37    38    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    67    70.00000  120.00000
   48    46    47    33.00000  107.80000
   52    46    47    35.00000  109.50000
   52    46    48    35.00000  109.50000
   52    53    54    63.00000  120.00000
   52    53    55    70.00000  120.10000
   52    67    64    63.00000  120.00000
   52    67    49    70.00000  120.00000
   53    54    56    63.00000  120.00000
   53    54    58    60.00000  119.52600
   53    55    76    50.00000  129.00000
   53    55    60    50.00000  120.00000
   54    56    57    70.00000  120.00000
   54    56    64    63.00000  120.00000
   54    58    59    75.00000  123.78400
   54    58    66    65.00000  116.00000
   56    64    65    35.00000  120.00000
   56    64    67    63.00000  120.00000
   64    56    57    70.00000  120.00000
   64    67    49    70.00000  120.00000
   67    52    53    63.00000  120.00000
   67    64    65    35.00000  120.00000
   49    37    38    35.00000  109.50000
   49    37    46    50.00000  109.50000
   58    54    56    60.00000  119.52600
   58    66    68    60.00000  119.52600
   58    66    76    60.00000  119.52600
   66    58    59    75.00000  123.78400
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   66    76    74    63.00000  120.00000
   66    76    55    70.00000  120.10000
   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
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    55    70.00000  120.10000
   76    66    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    55    60    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    58.35000  112.70000
   43    33    39    58.35000  112.70000
   43    50    51    55.00000  108.50000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    37    49   0.56750  1.0 1.0
   29    33    37    49  -0.07550 -1.0 2.0
   29    33    37    49   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    50   0.56750  1.0 1.0
   29    33    43    50  -0.07550 -1.0 2.0
   29    33    43    50   0.20000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    52  -0.03700  1.0 1.0
   33    37    46    52   0.37200 -1.0 2.0
   33    37    46    52  -0.47300  1.0 3.0
   33    37    49    67  -0.32850  1.0 1.0
   33    37    49    67  -0.35800 -1.0 2.0
   33    37    49    67   0.33950  1.0 3.0
   33    43    50    51  -0.11600  1.0 1.0
   33    43    50    51  -0.09450 -1.0 2.0
   33    43    50    51   0.21250  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    50   0.86500  1.0 1.0
   37    33    43    50  -0.17500 -1.0 2.0
   37    33    43    50   0.20800  1.0 3.0
   37    46    52    53   0.04150 -1.0 2.0
   37    46   -52    67   0.04150 -1.0 2.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    52   0.43200  1.0 3.0
   38    37    49    67   0.08050  1.0 3.0
   46    37   -49    67  -0.32850  1.0 1.0
   46    37   -49    67  -0.35800 -1.0 2.0
   46    37   -49    67   0.33950  1.0 3.0
   46    52    53    54   3.62500 -1.0 2.0
   46    52    53    55   3.62500 -1.0 2.0
   46    52    67    64   3.62500 -1.0 2.0
   46    52   -67    49   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    67   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    67   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    58   3.62500 -1.0 2.0
   52    53    55    76   0.17750 -1.0 2.0
   52    53    55    60  -1.00000  1.0 1.0
   52    53    55    60   1.25000 -1.0 2.0
   52    67   -49    37   1.63200 -1.0 2.0
   53    52    67    64   3.62500 -1.0 2.0
   53    52    67    49   3.62500 -1.0 2.0
   53    54    56    57   3.62500 -1.0 2.0
   53    54   -56    64   3.62500 -1.0 2.0
   53    54    58    59   1.05000 -1.0 2.0
   53    54    58    66   0.56600 -1.0 2.0
   53    55    60    61   0.00000  1.0 1.0
   53    55    60    62   0.00000  1.0 1.0
   53    55    60    63   0.00000  1.0 1.0
   54    53    55    76   0.17750 -1.0 2.0
   54    53    55    60  -1.00000  1.0 1.0
   54    53    55    60   1.25000 -1.0 2.0
   54    56    64    65   3.62500 -1.0 2.0
   54    56    64    67   3.62500 -1.0 2.0
   54    58    66    68   0.56600 -1.0 2.0
   54    58   -66    76   0.56600 -1.0 2.0
   56    54    58    59   1.05000 -1.0 2.0
   56    54    58    66   0.56600 -1.0 2.0
   56    64   -67    52   3.62500 -1.0 2.0
   56    64    67    49   3.62500 -1.0 2.0
   57    56    64    65   3.62500 -1.0 2.0
   57    56    64    67   3.62500 -1.0 2.0
   64    67    49    37   1.63200 -1.0 2.0
   65    64    67    52   3.62500 -1.0 2.0
   65    64    67    49   3.62500 -1.0 2.0
   67    52   -53    54   3.62500 -1.0 2.0
   67    52    53    55   3.62500 -1.0 2.0
   49    37    46    47   0.23400  1.0 3.0
   49    37    46    48   0.23400  1.0 3.0
   49    37   -46    52  -0.64350  1.0 1.0
   49    37   -46    52  -0.04200 -1.0 2.0
   49    37   -46    52   0.19800  1.0 3.0
   58    54    56    57   3.62500 -1.0 2.0
   58    54    56    64   3.62500 -1.0 2.0
   58    66    68    69   3.62500 -1.0 2.0
   58    66    68    70   3.62500 -1.0 2.0
   58    66    76    74   3.62500 -1.0 2.0
   58    66    76    55   3.62500 -1.0 2.0
   59    58    66    68   1.05000 -1.0 2.0
   59    58    66    76   1.05000 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68    70    72   3.62500 -1.0 2.0
   66    76   -55    53   0.17750 -1.0 2.0
   66    76    55    60  -1.00000  1.0 1.0
   66    76    55    60   1.25000 -1.0 2.0
   68    66    76    74   3.62500 -1.0 2.0
   68    66    76    55   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    75   3.62500 -1.0 2.0
   70    72    74    76   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
   72    74   -76    66   3.62500 -1.0 2.0
   72    74    76    55   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76    55    53   0.17750 -1.0 2.0
   74    76    55    60  -1.00000  1.0 1.0
   74    76    55    60   1.25000 -1.0 2.0
   75    74    76    66   3.62500 -1.0 2.0
   75    74    76    55   3.62500 -1.0 2.0
   76    66    68    69   3.62500 -1.0 2.0
   76    66   -68    70   3.62500 -1.0 2.0
   76    55    60    61   0.00000  1.0 1.0
   76    55    60    62   0.00000  1.0 1.0
   76    55    60    63   0.00000  1.0 1.0
   55    53    54    56   3.62500 -1.0 2.0
   55    53   -54    58   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    46   0.56750  1.0 1.0
   39    33    37    46  -0.07550 -1.0 2.0
   39    33    37    46   0.20000  1.0 3.0
   39    33    37    49   0.62750  1.0 1.0
   39    33    37    49  -0.30950 -1.0 2.0
   39    33    37    49   0.27300  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    50   0.86500  1.0 1.0
   39    33    43    50  -0.17500 -1.0 2.0
   39    33    43    50   0.20800  1.0 3.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    46   0.56750  1.0 1.0
   43    33    37    46  -0.07550 -1.0 2.0
   43    33    37    46   0.20000  1.0 3.0
   43    33    37    49   0.62750  1.0 1.0
   43    33    37    49  -0.30950 -1.0 2.0
   43    33    37    49   0.27300  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   44    43    50    51   0.19450  1.0 3.0
   45    43    50    51   0.19450  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
   53    67    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    58    54    53   4.00000 -1.0 2.0
   64    57    56    54   4.00000 -1.0 2.0
   67    65    64    56   1.10000 -1.0 2.0
   64    49    67    52   4.00000 -1.0 2.0
   54    66    58    59  10.50000 -1.0 2.0
   68    76    66    58   4.00000 -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
   76    75    74    72   1.10000 -1.0 2.0
   74    55    76    66   4.00000 -1.0 2.0
   60    53    55    76   1.00000 -1.0 2.0
END
