* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    137    208     399
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C20    36     1.80594    98.15691  -178.21469
   34    33 S   HC   _H3_    37     1.09520   108.46412   157.11875
   35    33 S   HC   _H4_    38     1.09445   107.59408    40.52220
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CT   _C18    39     1.52258   112.20586   -80.01634
   40    39 S   HC   _H37    40     1.09450   109.37009  -179.96574
   41    39 S   HC   _H38    41     1.09471   111.94481    60.72192
   42    39 S   NT   _N19    42     1.43773   113.02738   -61.45969
   43    42 S   CT   _C17    43     1.47152   111.36791   -80.12082
   44    43 S   HC   _H35    44     1.09555   107.89933    37.95839
   45    43 S   HC   _H36    45     1.09530   107.75624   -77.57220
   46    42 S   CT   _C21    57     1.47103   111.39442   157.34381
   47    46 S   HC   _H43    58     1.09529   108.02835   164.75467
   48    43 S   CA   _C14    46     1.50150   112.00747   159.98613
   49    46 S   CT   _C16    59     1.52369   108.76146   -76.39707
   50    49 S   HC   _H32    60     1.09421   110.89935    62.15138
   51    49 S   HC   _H33    61     1.09572   111.39802   -58.45449
   52    49 S   HC   _H34    62     1.09634   110.74812  -177.97929
   53    46 S   CT   _C19    63     1.52665   109.62850    45.44085
   54    53 S   HC   _H39    64     1.09567   110.63330   -80.36026
   55    53 S   HC   _H40    65     1.09499   111.71254    40.96565
   56    48 S   CA   _C10    47     1.39451   119.97224    89.96308
   57    56 S   HA   _H28    48     1.08725   120.49708     0.05234
   58    53 S   OS   _O20    66     1.42330   109.35229   161.11926
   59    56 S   CA   _C6_    49     1.39450   120.00918   180.00000
   60    59 S   HA   _H24    50     1.08575   119.98425  -179.94065
   61    58 S   CA   _C15    67     1.36994   116.74256  -149.68907
   62    59 S   CA   _C4_    51     1.39508   119.99470     0.08623
   63    62 S   HA   _H22    52     1.08562   120.03895  -179.97202
   64    61 S   CA   _C12    68     1.39483   119.96506   149.85544
   65    64 S   HA   _H30    69     1.08608   120.29194     0.03956
   66    62 S   CA   _C7_    53     1.39451   119.99598    -0.08393
   67    66 S   HA   _H25    54     1.08608   120.05179  -179.94405
   68    64 S   CA   _C8_    70     1.39477   119.97315  -179.93744
   69    68 S   HA   _H26    71     1.08627   120.00749  -179.98022
   70    48 S   CA   _C11    55     1.39449   119.99992   -89.95420
   71    70 S   HA   _H29    56     1.08700   120.54560    -0.04423
   72    68 S   CA   _C5_    72     1.39513   119.98906     0.06256
   73    72 S   HA   _H23    73     1.08647   119.91192  -180.00000
   74    72 S   CA   _C9_    74     1.39437   120.01556    -0.02798
   75    74 S   HA   _H27    75     1.08669   119.96378  -180.00000
   76    61 S   CA   _C13    76     1.39513   119.99706   -30.02647
   77    76 S   HA   _H31    77     1.08674   120.40570     0.00000
  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   7   5   4   3
   8   5   4   2   1   1  11   4   3  16  13   5   4  11   8   9
   7   3   2   1   6   3   2   8   4   7   6   3   9   5   3   8
   4   3   2   6   3   1   1   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    46  
   35    39    40    41    42  
   39    40    41    42  
   37    38  
   38  
    0  
   40    41    42    43    44    45    48    46    47    49    53  
   41    42    43    46  
   42    43    46  
   43    44    45    48    56    70    46    47    49    50    51    52    53    54    55    58  
   44    45    48    56    57    59    66    70    71    46    47    49    53  
   45    48    56    70    46  
   48    56    70    46  
   47    49    50    51    52    53    54    55    58    61    48  
   49    50    51    52    53    54    55    58  
   56    57    59    60    62    66    67    70    71  
   50    51    52    53    54    55    58  
   51    52    53  
   52    53  
   53  
   54    55    58    61    64    76  
   55    58    61  
   58    61  
   57    59    60    62    63    66    70    71  
   59    60    62    70  
   61    64    65    68    74    76    77  
   60    62    63    66    67    70  
   62    63    66  
   64    65    68    69    72    74    75    76    77  
   63    66    67    70    71  
   66    67    70  
   65    68    69    72    73    74    76    77  
   68    69    72    76  
   67    70    71  
   70    71  
   69    72    73    74    75    76  
   72    73    74  
   71  
    0  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   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   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.5000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   382.000  1.448
   42    43   382.000  1.448
   42    46   382.000  1.448
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    56   469.000  1.400
   48    70   469.000  1.400
   56    57   367.000  1.080
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   367.000  1.080
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    53   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   320.000  1.410
   58    61   450.000  1.364
   61    64   469.000  1.400
   61    76   469.000  1.400
   64    65   367.000  1.080
   64    68   469.000  1.400
   68    69   367.000  1.080
   68    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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    56.20000  109.47000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    42    43    51.80000  107.20000
   39    42    46    51.80000  107.20000
   41    39    40    33.00000  107.80000
   42    39    40    35.00000  109.50000
   42    39    41    35.00000  109.50000
   42    43    44    35.00000  109.50000
   42    43    45    35.00000  109.50000
   42    43    48    75.00000  112.33000
   42    46    47    35.00000  109.50000
   42    46    49    56.20000  109.47000
   42    46    53    56.20000  109.47000
   43    48    56    70.00000  120.00000
   43    48    70    70.00000  120.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    56    57    35.00000  120.00000
   48    56    59    63.00000  120.00000
   48    70    66    63.00000  120.00000
   48    70    71    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    62    63.00000  120.00000
   59    56    57    35.00000  120.00000
   59    62    63    35.00000  120.00000
   59    62    66    63.00000  120.00000
   62    59    60    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    70    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    70    71    35.00000  120.00000
   70    48    56    63.00000  120.00000
   70    66    67    35.00000  120.00000
   46    42    43    51.80000  107.20000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    37.50000  110.70000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    58    50.00000  109.50000
   49    46    47    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
   53    46    47    37.50000  110.70000
   53    46    49    58.35000  112.70000
   53    58    61    75.00000  111.00000
   55    53    54    33.00000  107.80000
   58    53    54    35.00000  109.50000
   58    53    55    35.00000  109.50000
   58    61    64    70.00000  120.00000
   58    61    76    70.00000  120.00000
   61    64    65    35.00000  120.00000
   61    64    68    63.00000  120.00000
   61    76    74    63.00000  120.00000
   61    76    77    35.00000  120.00000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   68    64    65    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    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    61    64    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    36    37   0.00000  1.0 1.0
   27    30    36    38   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    39    42    43   0.23450  1.0 1.0
   33    39    42    43   0.02050 -1.0 2.0
   33    39    42    43   0.25250  1.0 3.0
   33    39    42    46   0.23450  1.0 1.0
   33    39    42    46   0.02050 -1.0 2.0
   33    39    42    46   0.25250  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    42   0.15000  1.0 3.0
   39    42    43    44   0.28000  1.0 3.0
   39    42    43    45   0.28000  1.0 3.0
   39    42    43    48   0.82600  1.0 1.0
   39    42    43    48  -0.32100 -1.0 2.0
   39    42    43    48   1.02000  1.0 3.0
   39    42    46    47   0.28000  1.0 3.0
   39    42    46    49   0.23450  1.0 1.0
   39    42    46    49   0.02050 -1.0 2.0
   39    42    46    49   0.25250  1.0 3.0
   39    42    46    53   0.23450  1.0 1.0
   39    42    46    53   0.02050 -1.0 2.0
   39    42    46    53   0.25250  1.0 3.0
   40    39    42    43   0.28000  1.0 3.0
   40    39    42    46   0.28000  1.0 3.0
   41    39    42    43   0.28000  1.0 3.0
   41    39    42    46   0.28000  1.0 3.0
   42    43    48    56   0.18550 -1.0 2.0
   42    43    48    56   0.14000  1.0 3.0
   42    43    48    70   0.18550 -1.0 2.0
   42    43    48    70   0.14000  1.0 3.0
   42    46    49    50   0.15000  1.0 3.0
   42    46    49    51   0.15000  1.0 3.0
   42    46    49    52   0.15000  1.0 3.0
   42    46    53    54   0.15000  1.0 3.0
   42    46    53    55   0.15000  1.0 3.0
   42    46    53    58   1.74050  1.0 1.0
   43    42    46    47   0.28000  1.0 3.0
   43    42    46    49   0.23450  1.0 1.0
   43    42    46    49   0.02050 -1.0 2.0
   43    42    46    49   0.25250  1.0 3.0
   43    42    46    53   0.23450  1.0 1.0
   43    42    46    53   0.02050 -1.0 2.0
   43    42    46    53   0.25250  1.0 3.0
   43    48    56    57   3.62500 -1.0 2.0
   43    48    56    59   3.62500 -1.0 2.0
   43    48    70    66   3.62500 -1.0 2.0
   43    48    70    71   3.62500 -1.0 2.0
   44    43    48    56   0.00000  1.0 1.0
   44    43    48    70   0.00000  1.0 1.0
   45    43    48    56   0.00000  1.0 1.0
   45    43    48    70   0.00000  1.0 1.0
   48    56    59    60   3.62500 -1.0 2.0
   48    56    59    62   3.62500 -1.0 2.0
   56    48    70    66   3.62500 -1.0 2.0
   56    48    70    71   3.62500 -1.0 2.0
   56    59    62    63   3.62500 -1.0 2.0
   56    59   -62    66   3.62500 -1.0 2.0
   57    56    59    60   3.62500 -1.0 2.0
   57    56    59    62   3.62500 -1.0 2.0
   59    62    66    67   3.62500 -1.0 2.0
   59    62    66    70   3.62500 -1.0 2.0
   60    59    62    63   3.62500 -1.0 2.0
   60    59    62    66   3.62500 -1.0 2.0
   62    66   -70    48   3.62500 -1.0 2.0
   62    66    70    71   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    70   3.62500 -1.0 2.0
   67    66    70    48   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    48    56    57   3.62500 -1.0 2.0
   70    48   -56    59   3.62500 -1.0 2.0
   46    42    43    44   0.28000  1.0 3.0
   46    42    43    45   0.28000  1.0 3.0
   46    42    43    48   0.82600  1.0 1.0
   46    42    43    48  -0.32100 -1.0 2.0
   46    42    43    48   1.02000  1.0 3.0
   46    53    58    61  -0.32850  1.0 1.0
   46    53    58    61  -0.35800 -1.0 2.0
   46    53    58    61   0.33950  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    58   0.23400  1.0 3.0
   49    46    53    54   0.15000  1.0 3.0
   49    46    53    55   0.15000  1.0 3.0
   49    46    53    58   0.62750  1.0 1.0
   49    46    53    58  -0.30950 -1.0 2.0
   49    46    53    58   0.27300  1.0 3.0
   53    46    49    50   0.15000  1.0 3.0
   53    46    49    51   0.15000  1.0 3.0
   53    46    49    52   0.15000  1.0 3.0
   53    58    61    64   1.63200 -1.0 2.0
   53    58    61    76   1.63200 -1.0 2.0
   54    53    58    61   0.08050  1.0 3.0
   55    53    58    61   0.08050  1.0 3.0
   58    61    64    65   3.62500 -1.0 2.0
   58    61    64    68   3.62500 -1.0 2.0
   58    61    76    74   3.62500 -1.0 2.0
   58    61    76    77   3.62500 -1.0 2.0
   61    64    68    69   3.62500 -1.0 2.0
   61    64    68    72   3.62500 -1.0 2.0
   64    61    76    74   3.62500 -1.0 2.0
   64    61    76    77   3.62500 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68   -72    74   3.62500 -1.0 2.0
   65    64    68    69   3.62500 -1.0 2.0
   65    64    68    72   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72    74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74   -76    61   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    61   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    61    64    65   3.62500 -1.0 2.0
   76    61   -64    68   3.62500 -1.0 2.0
IPHI
    9     5     7     8  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
   38    30    36    37  10.50000 -1.0 2.0
   56    70    48    43   4.00000 -1.0 2.0
   59    57    56    48   1.10000 -1.0 2.0
   62    60    59    56   1.10000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   70    67    66    62   1.10000 -1.0 2.0
   66    71    70    48   1.10000 -1.0 2.0
   64    76    61    58   4.00000 -1.0 2.0
   68    65    64    61   1.10000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    61   1.10000 -1.0 2.0
END
