* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    138    200     400
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02141    64.34928  -104.33280
    3     1 S   H    _H1_     3     1.02092   105.71496    -0.85843
    4     1 S   H    _H2_     4     1.02150    48.13676   100.44464
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C11    36     1.88210   100.99388   179.98022
   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   NT   _N4_    37     1.49083   112.39345  -160.00063
   38    33 S   OH   _O33    61     1.43695   109.12992   -37.26964
   39    38 S   HO   _H19    62     0.97175   106.56237    56.02773
   40    33 S   S    _S1_    63     1.88678   106.89626    78.20813
   41    37 S   CT   _C5_    38     1.46476   113.34674   -57.93036
   42    41 S   HC   _H7_    39     1.09395   107.74415   -47.25859
   43    41 S   HC   _H8_    40     1.09393   107.76419    69.97374
   44    37 S   CT   _C6_    45     1.46506   116.00676    70.48821
   45    44 S   HC   _H3_    46     1.09632   107.85382  -166.43983
   46    40 S   CT   _C12    64     1.81189    99.94768  -177.18492
   47    46 S   HC   _H20    65     1.09531   108.83285    57.71636
   48    46 S   HC   _H21    66     1.09633   108.71870   -57.98858
   49    41 S   CT   _C4_    41     1.49057   111.14855  -168.47865
   50    49 S   HC   _H4_    42     1.09573   110.91342   -60.40206
   51    49 S   HC   _H5_    43     1.09588   110.91611    61.14449
   52    49 S   HC   _H6_    44     1.09695   109.79004  -179.63309
   53    44 S   CT   _C7_    47     1.52693   108.95875   -50.08834
   54    53 S   HC   _H9_    48     1.09556   110.46390    63.39136
   55    53 S   HC   _H10    49     1.09541   112.08932  -177.46920
   56    53 S   HC   _H11    50     1.09443   110.93834   -56.14456
   57    44 S   CT   _C8_    51     1.54677   111.14880    75.00280
   58    57 S   HC   _H12    52     1.09827   107.49548   -80.34826
   59    46 S   CA   _C13    67     1.50379   112.15810   180.00000
   60    57 S   CT   _C9_    53     1.53229   113.93035    38.29266
   61    60 S   HC   _H13    54     1.09565   110.44768    61.18661
   62    60 S   HC   _H14    55     1.09360   111.41448  -179.86294
   63    60 S   HC   _H15    56     1.09419   111.75267   -58.52504
   64    57 S   CT   _C10    57     1.53346   111.22835   162.95019
   65    64 S   HC   _H16    58     1.09482   110.82739   -62.99010
   66    64 S   HC   _H17    59     1.09482   110.58855    56.35470
   67    64 S   HC   _H18    60     1.09506   111.68735   176.32342
   68    59 S   CA   _C14    68     1.39416   120.05739   -76.50318
   69    68 S   HA   _H22    69     1.08705   120.52656     0.03956
   70    68 S   CA   _C15    70     1.39465   120.05610  -179.97202
   71    70 S   HA   _H23    71     1.08541   120.05983   179.97202
   72    70 S   CA   _C16    72     1.39543   119.94821    -0.02798
   73    72 S   HA   _H24    73     1.08587   119.97488   179.91377
   74    72 S   CA   _C17    74     1.39434   120.02257     0.05595
   75    74 S   HA   _H25    75     1.08558   120.03737   179.93744
   76    59 S   CA   _C18    76     1.39485   119.92588   103.51107
   77    76 S   HA   _H26    77     1.08677   120.56810     0.03956
  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   8   5   4   3
  16   2   1   1  21   5   1   8  10   6   5  16   8   9   4   3
   3   2   1   1   7   3   2   1   9   8   9   7   3   2   1   3
   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    44    38    39    40    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    43    49    44    45    53    57    38    39    40    46    47    48    59  
   35    36  
   36  
    0  
   41    42    43    49    50    51    52    44    45    53    54    55    56    57    58    60    64    38    39    40    46  
   39    40    46    41    44  
   40  
   46    47    48    59    68    76    41    44  
   42    43    49    50    51    52    44    45    53    57  
   43    49    50    51    52    44  
   49    50    51    52    44  
   45    53    54    55    56    57    58    60    61    62    63    64    65    66    67    49  
   53    54    55    56    57    58    60    64  
   47    48    59    68    69    70    74    76    77  
   48    59    68    76  
   59    68    76  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    57    58    60    64  
   55    56    57  
   56    57  
   57  
   58    60    61    62    63    64    65    66    67  
   60    61    62    63    64    65    66    67  
   68    69    70    71    72    74    75    76    77  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    76    77  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   76    77  
   77  
    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   0.810000   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   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.162500   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   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    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   382.000  1.448
   33    38   320.000  1.410
   33    40   222.000  1.810
   37    41   382.000  1.448
   37    44   382.000  1.448
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   44    45   340.000  1.090
   44    53   268.000  1.529
   44    57   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   38    39   553.000  0.945
   40    46   222.000  1.810
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    59   317.000  1.510
   59    68   469.000  1.400
   59    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    77   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    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    85.00000  109.00000
   29    33    38    85.00000  114.68000
   29    33    40    75.00000  118.28000
   33    37    41    51.80000  107.20000
   33    37    44    51.80000  107.20000
   33    38    39    55.00000  108.50000
   33    40    46    62.00000   98.90000
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   37    41    49    56.20000  109.47000
   37    44    45    35.00000  109.50000
   37    44    53    56.20000  109.47000
   37    44    57    56.20000  109.47000
   41    49    50    37.50000  110.70000
   41    49    51    37.50000  110.70000
   41    49    52    37.50000  110.70000
   43    41    42    33.00000  107.80000
   49    41    42    37.50000  110.70000
   49    41    43    37.50000  110.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   44    37    41    51.80000  107.20000
   44    53    54    37.50000  110.70000
   44    53    55    37.50000  110.70000
   44    53    56    37.50000  110.70000
   44    57    58    37.50000  110.70000
   44    57    60    58.35000  112.70000
   44    57    64    58.35000  112.70000
   53    44    45    37.50000  110.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    44    45    37.50000  110.70000
   57    44    53    58.35000  112.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    37.50000  110.70000
   57    64    65    37.50000  110.70000
   57    64    66    37.50000  110.70000
   57    64    67    37.50000  110.70000
   60    57    58    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   38    33    37   110.00000  105.70000
   40    33    37    85.00000  109.00000
   40    33    38    85.00000  114.68000
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    59    80.00000  109.48900
   46    59    68    70.00000  120.00000
   46    59    76    70.00000  120.00000
   48    46    47    33.00000  107.80000
   59    46    47    35.00000  109.50000
   59    46    48    35.00000  109.50000
   59    68    69    35.00000  120.00000
   59    68    70    63.00000  120.00000
   59    76    74    63.00000  120.00000
   59    76    77    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
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   76    59    68    63.00000  120.00000
   76    74    75    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    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    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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    41   0.23200  1.0 1.0
   29    33    37    41   0.02100 -1.0 2.0
   29    33    37    41   0.24950  1.0 3.0
   29    33    37    44   0.23200  1.0 1.0
   29    33    37    44   0.02100 -1.0 2.0
   29    33    37    44   0.24950  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   29    33    40    46   0.08500  1.0 1.0
   29    33    40    46  -0.53150 -1.0 2.0
   29    33    40    46   0.48050  1.0 3.0
   33    37    41    42   0.28000  1.0 3.0
   33    37    41    43   0.28000  1.0 3.0
   33    37    41    49   0.23450  1.0 1.0
   33    37    41    49   0.02050 -1.0 2.0
   33    37    41    49   0.25250  1.0 3.0
   33    37    44    45   0.28000  1.0 3.0
   33    37    44    53   0.23450  1.0 1.0
   33    37    44    53   0.02050 -1.0 2.0
   33    37    44    53   0.25250  1.0 3.0
   33    37    44    57   0.23450  1.0 1.0
   33    37    44    57   0.02050 -1.0 2.0
   33    37    44    57   0.25250  1.0 3.0
   33    40    46    47   0.32350  1.0 3.0
   33    40    46    48   0.32350  1.0 3.0
   33    40    46    59  -0.23050  1.0 1.0
   33    40    46    59   0.06200 -1.0 2.0
   33    40    46    59   0.47200  1.0 3.0
   37    33    38    39   0.35600  1.0 1.0
   37    33    38    39  -0.10750 -1.0 2.0
   37    33    38    39  -0.54400  1.0 3.0
   37    33    40    46   0.01700  1.0 1.0
   37    33    40    46  -0.23550 -1.0 2.0
   37    33    40    46   0.21350  1.0 3.0
   37    41    49    50   0.15000  1.0 3.0
   37    41    49    51   0.15000  1.0 3.0
   37    41    49    52   0.15000  1.0 3.0
   37    44    53    54   0.15000  1.0 3.0
   37    44    53    55   0.15000  1.0 3.0
   37    44    53    56   0.15000  1.0 3.0
   37    44    57    58   0.15000  1.0 3.0
   37    44    57    60   1.53400  1.0 1.0
   37    44    57    60  -0.09950 -1.0 2.0
   37    44    57    60   0.05700  1.0 3.0
   37    44    57    64   1.53400  1.0 1.0
   37    44    57    64  -0.09950 -1.0 2.0
   37    44    57    64   0.05700  1.0 3.0
   41    37    44    45   0.28000  1.0 3.0
   41    37    44    53   0.23450  1.0 1.0
   41    37    44    53   0.02050 -1.0 2.0
   41    37    44    53   0.25250  1.0 3.0
   41    37    44    57   0.23450  1.0 1.0
   41    37    44    57   0.02050 -1.0 2.0
   41    37    44    57   0.25250  1.0 3.0
   42    41    49    50   0.15000  1.0 3.0
   42    41    49    51   0.15000  1.0 3.0
   42    41    49    52   0.15000  1.0 3.0
   43    41    49    50   0.15000  1.0 3.0
   43    41    49    51   0.15000  1.0 3.0
   43    41    49    52   0.15000  1.0 3.0
   44    37    41    42   0.28000  1.0 3.0
   44    37    41    43   0.28000  1.0 3.0
   44    37    41    49   0.23450  1.0 1.0
   44    37    41    49   0.02050 -1.0 2.0
   44    37    41    49   0.25250  1.0 3.0
   44    57    60    61   0.15000  1.0 3.0
   44    57    60    62   0.15000  1.0 3.0
   44    57    60    63   0.15000  1.0 3.0
   44    57    64    65   0.15000  1.0 3.0
   44    57    64    66   0.15000  1.0 3.0
   44    57    64    67   0.15000  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    56   0.15000  1.0 3.0
   45    44    57    58   0.15000  1.0 3.0
   45    44    57    60   0.15000  1.0 3.0
   45    44    57    64   0.15000  1.0 3.0
   53    44    57    58   0.15000  1.0 3.0
   53    44    57    60   0.56750  1.0 1.0
   53    44    57    60  -0.07550 -1.0 2.0
   53    44    57    60   0.20000  1.0 3.0
   53    44    57    64   0.56750  1.0 1.0
   53    44    57    64  -0.07550 -1.0 2.0
   53    44    57    64   0.20000  1.0 3.0
   57    44    53    54   0.15000  1.0 3.0
   57    44    53    55   0.15000  1.0 3.0
   57    44    53    56   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.15000  1.0 3.0
   58    57    64    65   0.15000  1.0 3.0
   58    57    64    66   0.15000  1.0 3.0
   58    57    64    67   0.15000  1.0 3.0
   60    57    64    65   0.15000  1.0 3.0
   60    57    64    66   0.15000  1.0 3.0
   60    57    64    67   0.15000  1.0 3.0
   64    57    60    61   0.15000  1.0 3.0
   64    57    60    62   0.15000  1.0 3.0
   64    57    60    63   0.15000  1.0 3.0
   38    33    37    41   0.23200  1.0 1.0
   38    33    37    41   0.02100 -1.0 2.0
   38    33    37    41   0.24950  1.0 3.0
   38    33    37    44   0.23200  1.0 1.0
   38    33    37    44   0.02100 -1.0 2.0
   38    33    37    44   0.24950  1.0 3.0
   38    33    40    46   0.13850  1.0 1.0
   38    33    40    46  -1.34450 -1.0 2.0
   38    33    40    46   0.57400  1.0 3.0
   40    33    37    41   0.23200  1.0 1.0
   40    33    37    41   0.02100 -1.0 2.0
   40    33    37    41   0.24950  1.0 3.0
   40    33    37    44   0.23200  1.0 1.0
   40    33    37    44   0.02100 -1.0 2.0
   40    33    37    44   0.24950  1.0 3.0
   40    33    38    39   0.35600  1.0 1.0
   40    33    38    39  -0.10750 -1.0 2.0
   40    33    38    39  -0.54400  1.0 3.0
   40    46    59    68  -0.16000  1.0 1.0
   40    46    59    68  -0.03200 -1.0 2.0
   40    46    59    68   0.04500  1.0 3.0
   40    46    59    76  -0.16000  1.0 1.0
   40    46    59    76  -0.03200 -1.0 2.0
   40    46    59    76   0.04500  1.0 3.0
   46    59    68    69   3.62500 -1.0 2.0
   46    59    68    70   3.62500 -1.0 2.0
   46    59    76    74   3.62500 -1.0 2.0
   46    59    76    77   3.62500 -1.0 2.0
   47    46    59    68   0.00000  1.0 1.0
   47    46    59    76   0.00000  1.0 1.0
   48    46    59    68   0.00000  1.0 1.0
   48    46    59    76   0.00000  1.0 1.0
   59    68    70    71   3.62500 -1.0 2.0
   59    68    70    72   3.62500 -1.0 2.0
   68    59    76    74   3.62500 -1.0 2.0
   68    59    76    77   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    59   3.62500 -1.0 2.0
   72    74    76    77   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
   75    74    76    59   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    59    68    69   3.62500 -1.0 2.0
   76    59   -68    70   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
   35    30    34    36  10.50000 -1.0 2.0
   68    76    59    46   4.00000 -1.0 2.0
   70    69    68    59   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    77    76    59   1.10000 -1.0 2.0
END
