* 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     1.02116    45.82641  -133.67022
    3     1 S   H    _H1_     3     1.02059   105.00740   -32.10806
    4     1 S   H    _H2_     4     1.02035    66.94097    72.21784
    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     1.51808   108.64987   160.02491
   38    37 S   HC   _H3_    38     1.09939   109.32840   177.56048
   39    33 S   CT   _C4_    68     1.53883   107.34967   -80.38094
   40    39 S   HC   _H4_    69     1.09582   110.43660    61.60779
   41    39 S   HC   _H5_    70     1.09615   111.55947  -179.31901
   42    39 S   HC   _H6_    71     1.09651   112.21480   -57.87241
   43    33 S   CT   _C6_    72     1.54419   108.92114    37.68704
   44    43 S   HC   _H7_    73     1.09536   109.87304   -79.79713
   45    43 S   HC   _H8_    74     1.09598   112.02110    39.88999
   46    37 S   CT   _C8_    39     1.52250   112.85173   -58.68028
   47    46 S   HC   _H10    40     1.09650   110.48115    36.34530
   48    46 S   HC   _H11    41     1.09199   109.69389   -84.86015
   49    37 S   OS   _O35    67     1.43260   109.63199    59.08711
   50    43 S   OH   _O33    75     1.42263   111.12699   161.49667
   51    50 S   HO   _H9_    76     0.97075   106.66392   180.00000
   52    46 S   CA   _C9_    42     1.49883   102.18299   152.96434
   53    52 S   CA   _C10    43     1.36321   135.21444   156.26839
   54    53 S   CA   _C18    44     1.50098   114.81197  -176.29932
   55    53 S   NE   _N4_    57     1.28895   123.07926     3.85036
   56    54 S   CO4  _C17    45     1.49419   118.24366  -178.03029
   57    56 S   O    _O34    46     1.22391   124.58543   166.98002
   58    55 S   CT   _C22    58     1.49747   124.58497    12.65669
   59    58 S   HC   _H17    59     1.09070   108.13830   -90.93867
   60    58 S   HC   _H18    60     1.09199   108.22312   149.03851
   61    58 S   HC   _H19    61     1.09126   108.18999    29.10661
   62    54 S   CA   _C19    62     1.36636   124.09239    -0.53008
   63    62 S   OM   _O36    63     1.26332   133.39570  -179.58788
   64    56 S   CA   _C16    47     1.46564   115.03214   -13.24326
   65    62 S   CA   _C20    64     1.46362   117.31411     1.12222
   66    65 S   HA   _H16    65     1.08844   121.05946   177.64690
   67    64 S   CA   _C15    48     1.40544   118.23894  -168.01103
   68    67 S   HA   _H15    49     1.08688   121.29132    -0.98715
   69    52 S   CA   _C21    66     1.45034   103.11700   -19.99696
   70    67 S   CA   _C14    50     1.39018   120.23062   178.19593
   71    70 S   HA   _H14    51     1.08596   120.22310  -179.64227
   72    70 S   CA   _C13    52     1.38693   119.51598    -0.52077
   73    72 S   HA   _H13    53     1.08677   120.04342  -178.70065
   74    72 S   CA   _C12    54     1.39957   120.16677     0.80551
   75    74 S   HA   _H12    55     1.08711   116.11195  -177.80742
   76    64 S   CA   _C11    56     1.39759   120.45616    11.44394
  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  10   4   6   3   2   1   5   3   8
   2   1   7   4   1   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    69    49    39    40    41    42    43    44    45    50    51  
   35    36  
   36  
    0  
   38    46    47    48    52    53    65    69    49    39    40    41    42    43    44    45    50  
   46    47    48    52    69    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    55    65    69    49  
   48    52    53    69    49  
   52    53    69    49  
   52    53    62    65    66    69  
   51  
    0  
   53    54    56    76    55    58    62    65    66    69  
   54    56    57    64    74    76    55    58    59    60    61    62    63    65    69  
   56    57    64    67    76    55    58    62    63    65    66    69  
   58    59    60    61    62    69    56    64    67    72    74    75    76  
   57    64    67    68    70    74    76    62    63    65  
   64    67    76    62  
   59    60    61    64    74    76  
   60    61    76  
   61    76  
   76  
   63    65    66    69    64  
   65    66    69  
   67    68    70    71    72    74    75    76  
   66    69  
   69  
   68    70    71    72    73    74    76  
   70    71    72    76  
    0  
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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    69   469.000  1.400
   53    54   469.000  1.400
   53    55   481.000  1.340
   54    56   310.000  1.470
   54    62   469.000  1.400
   56    57   570.000  1.229
   56    64   310.000  1.470
   64    67   469.000  1.400
   64    76   469.000  1.400
   67    68   367.000  1.080
   67    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    58   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   450.000  1.364
   62    65   469.000  1.400
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    49   450.000  1.364
   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    69    75.00000  111.00000
   46    37    38    37.50000  110.70000
   46    52    53    70.00000  120.00000
   46    52    69    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    69    65    63.00000  120.00000
   52    69    49    70.00000  120.00000
   53    54    56    60.00000  119.52600
   53    54    62    63.00000  120.00000
   53    55    76    50.00000  129.00000
   53    55    58    50.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    64    65.00000  116.00000
   54    62    63    70.00000  120.00000
   54    62    65    63.00000  120.00000
   56    64    67    60.00000  119.52600
   56    64    76    60.00000  119.52600
   64    56    57    75.00000  123.78400
   64    67    68    35.00000  120.00000
   64    67    70    63.00000  120.00000
   64    76    74    63.00000  120.00000
   64    76    55    70.00000  120.10000
   67    70    71    35.00000  120.00000
   67    70    72    63.00000  120.00000
   70    67    68    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    64    67    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    55    58    50.00000  120.00000
   55    53    54    70.00000  120.10000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    56    60.00000  119.52600
   62    65    66    35.00000  120.00000
   62    65    69    63.00000  120.00000
   65    62    63    70.00000  120.00000
   65    69    49    70.00000  120.00000
   69    52    53    63.00000  120.00000
   69    65    66    35.00000  120.00000
   49    37    38    35.00000  109.50000
   49    37    46    50.00000  109.50000
   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    69  -0.32850  1.0 1.0
   33    37    49    69  -0.35800 -1.0 2.0
   33    37    49    69   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    69   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    69   0.08050  1.0 3.0
   46    37   -49    69  -0.32850  1.0 1.0
   46    37   -49    69  -0.35800 -1.0 2.0
   46    37   -49    69   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    69    65   3.62500 -1.0 2.0
   46    52   -69    49   3.62500 -1.0 2.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    69   0.00000  1.0 1.0
   48    46    52    53   0.00000  1.0 1.0
   48    46    52    69   0.00000  1.0 1.0
   52    53    54    56   3.62500 -1.0 2.0
   52    53    54    62   3.62500 -1.0 2.0
   52    53    55    76   0.17750 -1.0 2.0
   52    53    55    58  -1.00000  1.0 1.0
   52    53    55    58   1.25000 -1.0 2.0
   52    69   -49    37   1.63200 -1.0 2.0
   53    52    69    65   3.62500 -1.0 2.0
   53    52    69    49   3.62500 -1.0 2.0
   53    54    56    57   1.05000 -1.0 2.0
   53    54    56    64   0.56600 -1.0 2.0
   53    54    62    63   3.62500 -1.0 2.0
   53    54   -62    65   3.62500 -1.0 2.0
   53    55    58    59   0.00000  1.0 1.0
   53    55    58    60   0.00000  1.0 1.0
   53    55    58    61   0.00000  1.0 1.0
   54    53    55    76   0.17750 -1.0 2.0
   54    53    55    58  -1.00000  1.0 1.0
   54    53    55    58   1.25000 -1.0 2.0
   54    56    64    67   0.56600 -1.0 2.0
   54    56   -64    76   0.56600 -1.0 2.0
   54    62    65    66   3.62500 -1.0 2.0
   54    62    65    69   3.62500 -1.0 2.0
   56    54    62    63   3.62500 -1.0 2.0
   56    54    62    65   3.62500 -1.0 2.0
   56    64    67    68   3.62500 -1.0 2.0
   56    64    67    70   3.62500 -1.0 2.0
   56    64    76    74   3.62500 -1.0 2.0
   56    64    76    55   3.62500 -1.0 2.0
   57    56    64    67   1.05000 -1.0 2.0
   57    56    64    76   1.05000 -1.0 2.0
   64    67    70    71   3.62500 -1.0 2.0
   64    67    70    72   3.62500 -1.0 2.0
   64    76   -55    53   0.17750 -1.0 2.0
   64    76    55    58  -1.00000  1.0 1.0
   64    76    55    58   1.25000 -1.0 2.0
   67    64    76    74   3.62500 -1.0 2.0
   67    64    76    55   3.62500 -1.0 2.0
   67    70    72    73   3.62500 -1.0 2.0
   67    70   -72    74   3.62500 -1.0 2.0
   68    67    70    71   3.62500 -1.0 2.0
   68    67    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    64   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    58  -1.00000  1.0 1.0
   74    76    55    58   1.25000 -1.0 2.0
   75    74    76    64   3.62500 -1.0 2.0
   75    74    76    55   3.62500 -1.0 2.0
   76    64    67    68   3.62500 -1.0 2.0
   76    64   -67    70   3.62500 -1.0 2.0
   76    55    58    59   0.00000  1.0 1.0
   76    55    58    60   0.00000  1.0 1.0
   76    55    58    61   0.00000  1.0 1.0
   55    53   -54    56   3.62500 -1.0 2.0
   55    53    54    62   3.62500 -1.0 2.0
   62    54    56    57   1.05000 -1.0 2.0
   62    54    56    64   0.56600 -1.0 2.0
   62    65   -69    52   3.62500 -1.0 2.0
   62    65    69    49   3.62500 -1.0 2.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    69   3.62500 -1.0 2.0
   65    69    49    37   1.63200 -1.0 2.0
   66    65    69    52   3.62500 -1.0 2.0
   66    65    69    49   3.62500 -1.0 2.0
   69    52   -53    54   3.62500 -1.0 2.0
   69    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
   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    69    52    46   4.00000 -1.0 2.0
   54    55    53    52   4.00000 -1.0 2.0
   56    62    54    53   4.00000 -1.0 2.0
   54    64    56    57  10.50000 -1.0 2.0
   67    76    64    56   4.00000 -1.0 2.0
   70    68    67    64   1.10000 -1.0 2.0
   72    71    70    67   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    64   4.00000 -1.0 2.0
   58    53    55    76   1.00000 -1.0 2.0
   65    63    62    54   4.00000 -1.0 2.0
   69    66    65    62   1.10000 -1.0 2.0
   65    49    69    52   4.00000 -1.0 2.0
END
