* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    140    215     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094    92.87220   -64.22564
    3     1 S   H    _H1_     3     1.02052    87.52704    44.35961
    4     1 S   H    _H2_     4     1.02143    33.09994   175.12685
    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     1.08575   109.89770   179.09691
   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   _C20    36     1.82911    97.89447   161.82131
   34    33 S   HC   _H4_    37     1.09603   107.03640   -36.49793
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CO4  _C21    38     1.52074   109.50625    80.00835
   39    38 S   O    _O37    39     1.22798   123.28509   -26.68317
   40    38 S   CA   _C14    40     1.48442   117.32969   157.40808
   41    40 S   CA   _C15    41     1.39836   121.01379    -7.08496
   42    41 S   CA   _C16    42     1.40052   120.18744   177.59833
   43    42 S   OM   _O35    43     1.28850   122.16333   179.24359
   44    41 S   CO4  _C18    69     1.47843   120.61127    -3.16891
   45    44 S   O    _O36    70     1.22629   120.32980   166.03841
   46    42 S   CA   _C17    44     1.39621   120.04308     0.68070
   47    33 S   CT   _C19    71     1.52174   109.57726  -156.75570
   48    47 S   HC   _H3_    72     1.09563   112.42391   -54.34076
   49    46 S   CA   _C12    45     1.39264   119.70320    -0.14127
   50    46 S   OS   _O34    59     1.37301   116.43820   179.72375
   51    47 S   OS   _O38    73     1.42075   109.80806    66.91004
   52    40 S   CA   _C13    46     1.40118   119.24170   171.38495
   53    49 S   CO4  _C11    49     1.47196   118.69118   180.00000
   54    53 S   O    _O33    50     1.22194   121.74010   179.96044
   55    51 S   CT   _C22    74     1.42113   111.56226  -159.56101
   56    55 S   HC   _H10    75     1.09198   109.55124  -179.97202
   57    55 S   HC   _H11    76     1.09322   109.53343    59.18232
   58    55 S   HC   _H12    77     1.09257   108.99341   -60.40961
   59    52 S   OH   _O39    47     1.36500   120.53495     1.34261
   60    59 S   HO   _H13    48     0.96919   110.05671     0.05595
   61    53 S   CA   _C10    51     1.47045   116.62822    -0.03956
   62    61 S   CA   _C5_    52     1.39709   120.79446   179.97202
   63    62 S   CA   _C6_    53     1.39556   119.55728   180.00000
   64    63 S   HA   _H8_    54     1.08689   120.29897   180.00000
   65    62 S   CT   _C4_    65     1.49505   123.84705    -0.06256
   66    65 S   HC   _H5_    66     1.09532   110.18477   -89.92678
   67    65 S   HC   _H6_    67     1.09635   111.13442    30.57591
   68    65 S   HC   _H7_    68     1.09692   111.09198   149.57329
   69    63 S   CA   _C7_    55     1.39469   120.10378     0.01978
   70    69 S   CA   _C8_    56     1.39521   120.16289    -0.00000
   71    70 S   HA   _H9_    57     1.08688   119.87296  -179.97202
   72    69 S   OS   _O40    60     1.36224   119.96290   179.92867
   73    61 S   CA   _C9_    58     1.39476   118.69308    -0.01978
   74    72 S   CT   _C23    61     1.42679   117.07966   180.00000
   75    74 S   HC   _H14    62     1.09204   109.48335  -179.96044
   76    74 S   HC   _H15    63     1.09294   109.50810    59.18976
   77    74 S   HC   _H16    64     1.09261   108.96790   -60.38101
  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   9   5   4   3
  12   7   2   1   1  11   4  12  12  10   4   7   3   9   6   2
   9   8   4   5   8   3   3   2   1   1   1   1  11  10  11   4
   5   2   1   1   8   4   2   5   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    47    48    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    52    44    45    47    48    51    55  
   38    39    40    44    47    48    51  
   36    37  
   37  
    0  
   39    40    41    42    49    52    59    44    47    48    51  
   40    41    52    47  
   41    42    43    46    49    52    59    60    53    44    45    47  
   42    43    46    49    52    59    50    44    45    47    48    51  
   43    46    49    52    53    73    50    44    45    47  
   46    49    50    44  
   45    47    48    51    55    46    52  
   47    48    51  
   49    52    59    53    54    61    70    73    50  
   48    51    55    56    57    58  
   51    55  
   52    59    60    53    54    61    62    73    50  
   52    53    61    62    69    70    71    73  
   55    56    57    58  
   59    60    53    54    61  
   54    61    62    63    70    73    65    59  
   61    62    73  
   56    57    58  
   57    58  
   58  
    0  
   60  
    0  
   62    63    64    69    70    71    73    65    66    67    68  
   63    64    69    70    73    72    65    66    67    68  
   64    69    70    71    73    72    74    65    66    67    68  
   69    70    72    65  
   66    67    68    69    73  
   67    68  
   68  
    0  
   70    71    73    72    74    75    76    77  
   71    73    72    74  
   73    72  
   74    75    76    77    73  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   2.9000   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   51   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   53   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.522
   33    47   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    52   469.000  1.400
   41    42   469.000  1.400
   41    44   310.000  1.470
   42    43   450.000  1.364
   42    46   469.000  1.400
   46    49   469.000  1.400
   46    50   450.000  1.364
   49    52   469.000  1.400
   49    53   310.000  1.470
   52    59   450.000  1.364
   59    60   553.000  0.945
   53    54   570.000  1.229
   53    61   310.000  1.470
   61    62   469.000  1.400
   61    73   469.000  1.400
   62    63   469.000  1.400
   62    65   317.000  1.510
   63    64   367.000  1.080
   63    69   469.000  1.400
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    50   450.000  1.364
   72    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    48   340.000  1.090
   47    51   320.000  1.410
   51    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  110.18000
   29    33    47    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    47    44    63.00000  111.10000
   33    47    48    37.50000  110.70000
   33    47    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    60.00000  119.52600
   38    40    52    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    44    60.00000  119.52600
   40    52    49    63.00000  120.00000
   40    52    59    70.00000  120.00000
   41    42    43    70.00000  120.00000
   41    42    46    63.00000  120.00000
   41    44    45    75.00000  123.78400
   41    44    47    65.00000  115.47100
   42    46    49    63.00000  120.00000
   42    46    50    70.00000  120.00000
   46    42    43    70.00000  120.00000
   46    49    52    63.00000  120.00000
   46    49    53    60.00000  119.52600
   46    50    73    85.00000  114.70000
   49    52    59    70.00000  120.00000
   49    53    54    75.00000  123.78400
   49    53    61    65.00000  116.00000
   52    40    41    63.00000  120.00000
   52    59    60    35.00000  113.00000
   53    49    52    60.00000  119.52600
   53    61    62    60.00000  119.52600
   53    61    73    60.00000  119.52600
   61    53    54    75.00000  123.78400
   61    62    63    63.00000  120.00000
   61    62    65    70.00000  120.00000
   61    73    70    63.00000  120.00000
   61    73    50    70.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    69    63.00000  120.00000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    68    35.00000  109.50000
   63    69    70    63.00000  120.00000
   63    69    72    70.00000  120.00000
   69    63    64    35.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    75.00000  111.00000
   70    73    50    70.00000  120.00000
   73    61    62    63.00000  120.00000
   73    70    71    35.00000  120.00000
   50    46    49    70.00000  120.00000
   72    69    70    70.00000  120.00000
   72    74    75    35.00000  109.50000
   72    74    76    35.00000  109.50000
   72    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   65    62    63    70.00000  120.00000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   44    41    42    60.00000  119.52600
   44    47    48    35.00000  109.50000
   44    47    51    90.00000  108.74100
   47    33    34    37.50000  110.70000
   47    33    38    63.00000  111.10000
   47    44    45    80.00000  120.40000
   47    51    55    60.00000  109.50000
   51    47    48    35.00000  109.50000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    51   0.56750  1.0 1.0
   29    33    47    51  -0.07550 -1.0 2.0
   29    33    47    51   0.20000  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    52   2.26350  1.0 1.0
   33    38    40    52   0.76750 -1.0 2.0
   33    38    40    52   0.22500  1.0 3.0
   33    47    51    55   0.06250  1.0 1.0
   33    47    51    55  -0.01100 -1.0 2.0
   33    47    51    55   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    47    44  -0.11250  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    51   0.23400  1.0 3.0
   38    33    47    44   0.11950  1.0 1.0
   38    33    47    44   0.20300 -1.0 2.0
   38    33    47    44  -0.70800  1.0 3.0
   38    33    47    48  -0.11250  1.0 3.0
   38    33    47    51  -0.09450  1.0 1.0
   38    33    47    51  -1.12950 -1.0 2.0
   38    33    47    51   0.54000  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    44   3.62500 -1.0 2.0
   38    40    52    49   3.62500 -1.0 2.0
   38    40    52    59   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    52   1.05000 -1.0 2.0
   40    41    42    43   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    44    45   1.05000 -1.0 2.0
   40    41    44    47   2.26350  1.0 1.0
   40    41    44    47   0.76750 -1.0 2.0
   40    41    44    47   0.22500  1.0 3.0
   40    52    59    60   0.84100 -1.0 2.0
   41    40    52    49   3.62500 -1.0 2.0
   41    40    52    59   3.62500 -1.0 2.0
   41    42   -46    49   3.62500 -1.0 2.0
   41    42    46    50   3.62500 -1.0 2.0
   41    44   -47    33   0.05850 -1.0 2.0
   41    44   -47    33   0.17250  1.0 3.0
   41    44    47    48   0.00000  1.0 1.0
   41    44    47    51   0.65300  1.0 1.0
   41    44    47    51  -0.03850 -1.0 2.0
   41    44    47    51   0.33900  1.0 3.0
   42    41    44    45   1.05000 -1.0 2.0
   42    41    44    47   2.26350  1.0 1.0
   42    41    44    47   0.76750 -1.0 2.0
   42    41    44    47   0.22500  1.0 3.0
   42    46    49    52   3.62500 -1.0 2.0
   42    46    49    53   3.62500 -1.0 2.0
   42    46    50    73   0.47150 -1.0 2.0
   43    42    46    49   3.62500 -1.0 2.0
   43    42    46    50   3.62500 -1.0 2.0
   46    49   -52    40   3.62500 -1.0 2.0
   46    49    52    59   3.62500 -1.0 2.0
   46    49    53    54   1.05000 -1.0 2.0
   46    49    53    61   0.56600 -1.0 2.0
   49    46    50    73   0.47150 -1.0 2.0
   49    52    59    60   0.84100 -1.0 2.0
   49    53    61    62   0.56600 -1.0 2.0
   49    53   -61    73   0.56600 -1.0 2.0
   52    40   -41    42   3.62500 -1.0 2.0
   52    40    41    44   3.62500 -1.0 2.0
   52    49    53    54   1.05000 -1.0 2.0
   52    49    53    61   0.56600 -1.0 2.0
   53    49    52    40   3.62500 -1.0 2.0
   53    49    52    59   3.62500 -1.0 2.0
   53    61    62    63   3.62500 -1.0 2.0
   53    61    62    65   3.62500 -1.0 2.0
   53    61    73    70   3.62500 -1.0 2.0
   53    61    73    50   3.62500 -1.0 2.0
   54    53    61    62   1.05000 -1.0 2.0
   54    53    61    73   1.05000 -1.0 2.0
   61    62    63    64   3.62500 -1.0 2.0
   61    62    63    69   3.62500 -1.0 2.0
   61    62    65    66   0.00000  1.0 1.0
   61    62    65    67   0.00000  1.0 1.0
   61    62    65    68   0.00000  1.0 1.0
   61    73   -50    46   0.47150 -1.0 2.0
   62    61    73    70   3.62500 -1.0 2.0
   62    61    73    50   3.62500 -1.0 2.0
   62    63   -69    70   3.62500 -1.0 2.0
   62    63    69    72   3.62500 -1.0 2.0
   63    62    65    66   0.00000  1.0 1.0
   63    62    65    67   0.00000  1.0 1.0
   63    62    65    68   0.00000  1.0 1.0
   63    69    70    71   3.62500 -1.0 2.0
   63    69    70    73   3.62500 -1.0 2.0
   63    69    72    74   1.63200 -1.0 2.0
   64    63    69    70   3.62500 -1.0 2.0
   64    63    69    72   3.62500 -1.0 2.0
   69    70   -73    61   3.62500 -1.0 2.0
   69    70    73    50   3.62500 -1.0 2.0
   69    72    74    75   0.08050  1.0 3.0
   69    72    74    76   0.08050  1.0 3.0
   69    72    74    77   0.08050  1.0 3.0
   70    69    72    74   1.63200 -1.0 2.0
   70    73    50    46   0.47150 -1.0 2.0
   71    70    73    61   3.62500 -1.0 2.0
   71    70    73    50   3.62500 -1.0 2.0
   73    61   -62    63   3.62500 -1.0 2.0
   73    61    62    65   3.62500 -1.0 2.0
   50    46    49    52   3.62500 -1.0 2.0
   50    46   -49    53   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    69   3.62500 -1.0 2.0
   44    41    42    43   3.62500 -1.0 2.0
   44    41    42    46   3.62500 -1.0 2.0
   44    47    51    55  -1.11000  1.0 1.0
   44    47    51    55   0.50250 -1.0 2.0
   44    47    51    55   0.47450  1.0 3.0
   45    44    47    33   0.30150 -1.0 2.0
   45    44    47    48   0.00000  1.0 1.0
   45    44    47    51   0.30150 -1.0 2.0
   47    33    38    39   0.30150 -1.0 2.0
   47    33   -38    40   0.05850 -1.0 2.0
   47    33   -38    40   0.17250  1.0 3.0
   47    51    55    56   0.37050  1.0 3.0
   47    51    55    57   0.37050  1.0 3.0
   47    51    55    58   0.37050  1.0 3.0
   48    47    51    55   0.37050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   41    52    40    38   4.00000 -1.0 2.0
   42    44    41    40   4.00000 -1.0 2.0
   46    43    42    41   4.00000 -1.0 2.0
   49    50    46    42   4.00000 -1.0 2.0
   52    53    49    46   4.00000 -1.0 2.0
   49    59    52    40   4.00000 -1.0 2.0
   49    61    53    54  10.50000 -1.0 2.0
   62    73    61    53   4.00000 -1.0 2.0
   63    65    62    61   4.00000 -1.0 2.0
   69    64    63    62   1.10000 -1.0 2.0
   70    72    69    63   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    50    73    61   4.00000 -1.0 2.0
   41    47    44    45  10.50000 -1.0 2.0
END
