* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    134    221     396
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02068   106.57951   -17.40676
    3     1 S   H    _H1_     3     1.02111    57.91684    84.58117
    4     1 S   H    _H2_     4     1.02093    54.18556  -118.82260
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04808   118.78025     8.54305
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29774   -11.15207
   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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C11    36     1.85254    97.20049   161.82949
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CA   _C8_    37     1.50871   107.96583    79.99282
   38    33 S   CO4  _C21    67     1.51135   108.04219   -50.98910
   39    38 S   O    _O36    68     1.22461   124.85015    99.86377
   40    37 S   CA   _C7_    38     1.41403   109.78649    95.65718
   41    40 S   CA   _C6_    39     1.38538   121.06607  -176.23855
   42    41 S   HA   _H8_    40     1.08515   120.81577   179.27368
   43    40 S   CT   _C13    51     1.50752   110.62543     2.55551
   44    43 S   HC   _H4_    52     1.09484   111.88897   -97.96335
   45    41 S   CA   _C5_    41     1.39672   118.31830    -0.78733
   46    33 S   CT   _C12    53     1.54642   116.12701  -170.64002
   47    46 S   HC   _H3_    54     1.10697   109.13408   169.18881
   48    43 S   NP   _N4_    69     1.48252   115.29524   138.84255
   49    48 S   H    _H11    70     1.02634   110.97298  -117.63933
   50    48 S   H    _H12    71     1.02516   110.95194   122.41247
   51    48 S   H    _H13    72     1.02509   111.03606     2.33783
   52    45 S   CA   _C10    42     1.40308   120.73301     0.68756
   53    52 S   HA   _H9_    43     1.08822   119.63719   178.93946
   54    45 S   CT   _C4_    47     1.49284   119.66118  -179.73459
   55    54 S   HC   _H5_    48     1.09632   110.28494    89.96647
   56    54 S   HC   _H6_    49     1.09630   111.18228  -149.52647
   57    54 S   HC   _H7_    50     1.09674   111.19198   -30.51460
   58    46 S   CMA  _C14    55     1.50977   110.07372    55.18137
   59    58 S   OM   _O34    56     1.22401   121.49860  -131.54792
   60    37 S   CA   _C9_    44     1.38612   129.53611   -80.22164
   61    58 S   CM   _C15    57     1.49062   113.86593    49.28102
   62    60 S   OH   _O33    45     1.35733   122.67889    -0.56267
   63    62 S   HO   _H10    46     0.97084   110.52036   176.80230
   64    61 S   CM   _C16    58     1.41009   120.39499   -13.71525
   65    64 S   CM   _C17    59     1.39792   119.77390   177.19711
   66    65 S   HC   _H14    60     1.08570   121.32277   179.68910
   67    65 S   CM   _C18    61     1.39546   119.71975     0.62807
   68    67 S   HC   _H15    62     1.08724   119.75649   179.75853
   69    67 S   CM   _C19    63     1.39526   120.43172     0.07662
   70    69 S   HC   _H16    64     1.09022   118.06151   179.83687
   71    61 S   CO4  _C20    65     1.39676   119.43352   164.48661
   72    71 S   O    _O35    66     1.28397   123.65770     1.63889
  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  11   5   4   3
  18   2   1   1  18  13   4  16  13   4  12   7   8  11   4   4
   2   1   1   8   3   4   2   1   1   7   3   2   8   1   1   7
   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    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    60    43    46    47    58    64    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    52    60    62    43    44    46    47    58    59    61    64    65    38    39    48  
   35    36  
   36  
    0  
   40    41    42    45    52    53    60    62    63    43    44    46    47    58    64    38    39    48  
   39    40    43    46    47    58    60    61    64    65    66    67    71  
   46    61    64    65  
   41    42    45    52    60    62    54    43    44    46    47    58    48    49    50    51  
   42    45    52    53    60    54    55    56    57    43    44    46    48  
   45    52    54    43  
   44    46    47    58    59    61    48    49    50    51    45    60  
   46    47    58    48    49    50    51  
   52    53    60    62    54    55    56    57  
   47    58    59    61    64    71    48    49    50    51    60  
   58    59    61    48  
   49    50    51    58  
   50    51  
   51  
    0  
   53    60    62    63    54    55    56    57  
   60    62    54  
   55    56    57    60  
   56    57  
   57  
    0  
   59    61    64    65    69    71    72  
   61    64    71  
   62    63  
   64    65    66    67    69    70    71    72  
   63  
    0  
   65    66    67    68    69    71    72  
   66    67    68    69    70    71  
   67    68    69  
   68    69    70    71    72  
   69    70    71  
   70    71    72  
   71    72  
   72  
    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   0.282500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.7500   0.1050   0.470000   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   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5000   0.0660   0.365000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   59   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   317.000  1.510
   33    46   268.000  1.529
   33    38   317.000  1.522
   37    40   469.000  1.400
   37    60   469.000  1.400
   40    41   469.000  1.400
   40    43   317.000  1.510
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    52   469.000  1.400
   45    54   317.000  1.510
   52    53   367.000  1.080
   52    60   469.000  1.400
   60    62   450.000  1.364
   62    63   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    48   367.000  1.471
   46    47   340.000  1.090
   46    58   270.000  1.512
   58    59   745.000  1.250
   58    61   465.000  1.376
   61    64   380.000  1.444
   61    71   320.000  1.462
   64    65   549.000  1.340
   64    38   320.000  1.462
   65    66   340.000  1.080
   65    67   380.000  1.444
   67    68   340.000  1.080
   67    69   549.000  1.340
   69    70   340.000  1.080
   69    71   320.000  1.462
   71    72   570.000  1.229
   38    39   570.000  1.229
   48    49   434.000  1.010
   48    50   434.000  1.010
   48    51   434.000  1.010
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    80.00000  109.48900
   29    33    46    75.00000  111.63000
   29    33    38    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    60    70.00000  120.00000
   33    46    43    58.35000  112.70000
   33    46    47    37.50000  110.70000
   33    46    58    70.00000  112.02700
   33    38    64    65.00000  118.62400
   33    38    39    80.00000  120.40000
   37    40    41    63.00000  120.00000
   37    40    43    70.00000  120.00000
   37    60    52    63.00000  120.00000
   37    60    62    70.00000  120.00000
   40    41    42    35.00000  120.00000
   40    41    45    63.00000  120.00000
   40    43    44    35.00000  109.50000
   40    43    46    70.00000  112.17500
   40    43    48    75.00000  110.83300
   41    45    52    63.00000  120.00000
   41    45    54    70.00000  120.00000
   45    41    42    35.00000  120.00000
   45    52    53    35.00000  120.00000
   45    52    60    63.00000  120.00000
   45    54    55    35.00000  109.50000
   45    54    56    35.00000  109.50000
   45    54    57    35.00000  109.50000
   52    60    62    70.00000  120.00000
   60    37    40    63.00000  120.00000
   60    52    53    35.00000  120.00000
   60    62    63    35.00000  113.00000
   54    45    52    70.00000  120.00000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   43    40    41    70.00000  120.00000
   43    46    47    37.50000  110.70000
   43    46    58    70.00000  112.02700
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    51    35.00000  109.50000
   46    33    37    70.00000  112.17500
   46    43    44    37.50000  110.70000
   46    58    59    85.00000  112.85300
   46    58    61    65.00000  122.18000
   58    46    47    45.00000  110.52000
   58    61    64    70.00000  117.34000
   58    61    71    60.00000  125.92000
   61    58    59    65.00000  137.10300
   61    64    65    70.00000  123.01800
   61    64    38    65.00000  118.96000
   61    71    69    65.00000  118.65900
   61    71    72    80.00000  123.72100
   64    65    66    35.00000  120.00000
   64    65    67    70.00000  123.01800
   64    38    39    80.00000  123.72100
   65    67    68    35.00000  120.00000
   65    67    69    70.00000  123.01800
   67    65    66    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    65.00000  118.96000
   69    67    68    35.00000  120.00000
   69    71    72    80.00000  123.72100
   71    61    64    65.00000  118.96000
   71    69    70    40.00000  117.72500
   38    33    37    70.00000  110.93000
   38    33    46    63.00000  111.10000
   38    64    65    65.00000  118.96000
   48    43    44    35.00000  109.50000
   48    43    46    80.00000  111.20000
   50    48    49    35.00000  109.50000
   51    48    49    35.00000  109.50000
   51    48    50    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40  -0.16000  1.0 1.0
   29    33    37    40  -0.03200 -1.0 2.0
   29    33    37    40   0.04500  1.0 3.0
   29    33    37    60  -0.16000  1.0 1.0
   29    33    37    60  -0.03200 -1.0 2.0
   29    33    37    60   0.04500  1.0 3.0
   29    33    46    43   0.44750  1.0 1.0
   29    33    46    43  -0.17800 -1.0 2.0
   29    33    46    43   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    58   0.56750  1.0 1.0
   29    33    46    58  -0.07550 -1.0 2.0
   29    33    46    58   0.20000  1.0 3.0
   29    33    38    64   0.65300  1.0 1.0
   29    33    38    64  -0.03850 -1.0 2.0
   29    33    38    64   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37   -40    43   3.62500 -1.0 2.0
   33    37    60    52   3.62500 -1.0 2.0
   33    37    60    62   3.62500 -1.0 2.0
   33    46    58    59   0.09700  1.0 1.0
   33    46    58    59   0.15600 -1.0 2.0
   33    46    58    59  -0.50800  1.0 3.0
   33    46    58    61   0.09850  1.0 1.0
   33    46    58    61   0.15250 -1.0 2.0
   33    46    58    61  -0.50650  1.0 3.0
   37    33   -46    43  -0.03700  1.0 1.0
   37    33   -46    43   0.37200 -1.0 2.0
   37    33   -46    43  -0.47300  1.0 3.0
   37    33    46    47   0.43200  1.0 3.0
   37    33    46    58   0.21200  1.0 1.0
   37    33    46    58   0.16900 -1.0 2.0
   37    33    46    58  -1.15100  1.0 3.0
   37    33    38    64   0.65300  1.0 1.0
   37    33    38    64  -0.03850 -1.0 2.0
   37    33    38    64   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    41    42   3.62500 -1.0 2.0
   37    40    41    45   3.62500 -1.0 2.0
   37    40    43    44   0.00000  1.0 1.0
   37    40   -43    46   0.04150 -1.0 2.0
   37    40    43    48  -0.46400 -1.0 2.0
   37    60    62    63   0.84100 -1.0 2.0
   40    37    60    52   3.62500 -1.0 2.0
   40    37    60    62   3.62500 -1.0 2.0
   40    41   -45    52   3.62500 -1.0 2.0
   40    41    45    54   3.62500 -1.0 2.0
   40    43   -46    33  -0.03700  1.0 1.0
   40    43   -46    33   0.37200 -1.0 2.0
   40    43   -46    33  -0.47300  1.0 3.0
   40    43    46    47   0.43200  1.0 3.0
   40    43    46    58   0.21200  1.0 1.0
   40    43    46    58   0.16900 -1.0 2.0
   40    43    46    58  -1.15100  1.0 3.0
   40    43    48    49   0.17350  1.0 3.0
   40    43    48    50   0.17350  1.0 3.0
   40    43    48    51   0.17350  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    46   0.04150 -1.0 2.0
   41    40    43    48  -0.46400 -1.0 2.0
   41    45    52    53   3.62500 -1.0 2.0
   41    45    52    60   3.62500 -1.0 2.0
   41    45    54    55   0.00000  1.0 1.0
   41    45    54    56   0.00000  1.0 1.0
   41    45    54    57   0.00000  1.0 1.0
   42    41    45    52   3.62500 -1.0 2.0
   42    41    45    54   3.62500 -1.0 2.0
   45    52   -60    37   3.62500 -1.0 2.0
   45    52    60    62   3.62500 -1.0 2.0
   52    45    54    55   0.00000  1.0 1.0
   52    45    54    56   0.00000  1.0 1.0
   52    45    54    57   0.00000  1.0 1.0
   52    60    62    63   0.84100 -1.0 2.0
   53    52    60    37   3.62500 -1.0 2.0
   53    52    60    62   3.62500 -1.0 2.0
   60    37   -40    41   3.62500 -1.0 2.0
   60    37    40    43   3.62500 -1.0 2.0
   54    45    52    53   3.62500 -1.0 2.0
   54    45    52    60   3.62500 -1.0 2.0
   43    40    41    42   3.62500 -1.0 2.0
   43    40    41    45   3.62500 -1.0 2.0
   43    46    58    59   0.09700  1.0 1.0
   43    46    58    59   0.15600 -1.0 2.0
   43    46    58    59  -0.50800  1.0 3.0
   43    46    58    61   0.09850  1.0 1.0
   43    46    58    61   0.15250 -1.0 2.0
   43    46    58    61  -0.50650  1.0 3.0
   44    43    46    33   0.15000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    58   0.15000  1.0 3.0
   44    43    48    49   0.13050  1.0 3.0
   44    43    48    50   0.13050  1.0 3.0
   44    43    48    51   0.13050  1.0 3.0
   46    33   -37    40   0.04150 -1.0 2.0
   46    33    37    60   0.04150 -1.0 2.0
   46    33    38    64   0.65300  1.0 1.0
   46    33    38    64  -0.03850 -1.0 2.0
   46    33    38    64   0.33900  1.0 3.0
   46    33    38    39   0.30150 -1.0 2.0
   46    43    48    49   0.17350  1.0 3.0
   46    43    48    50   0.17350  1.0 3.0
   46    43    48    51   0.17350  1.0 3.0
   46    58   -61    64   7.00000 -1.0 2.0
   46    58    61    71   7.00000 -1.0 2.0
   47    46    58    59   0.00000  1.0 1.0
   47    46    58    61   0.00000  1.0 1.0
   58    61    64    65   0.28850  1.0 1.0
   58    61    64    65   2.61350 -1.0 2.0
   58    61    64    65   0.78400  1.0 3.0
   58    61    64    38  -0.18600  1.0 3.0
   58    61    71    69  -1.18350  1.0 1.0
   58    61    71    69   1.45950 -1.0 2.0
   58    61    71    72   1.00000 -1.0 2.0
   59    58    61    64   7.00000 -1.0 2.0
   59    58    61    71   7.00000 -1.0 2.0
   61    64    65    66   7.00000 -1.0 2.0
   61    64    65    67   7.00000 -1.0 2.0
   61    64   -38    33  -0.33500  1.0 1.0
   61    64   -38    33   1.06600 -1.0 2.0
   61    64   -38    33  -0.14000  1.0 3.0
   61    64    38    39   1.00000 -1.0 2.0
   64    61    71    69  -1.18350  1.0 1.0
   64    61    71    69   1.45950 -1.0 2.0
   64    61    71    72   1.00000 -1.0 2.0
   64    65    67    68  -0.18600  1.0 3.0
   64    65   -67    69   0.28850  1.0 1.0
   64    65   -67    69   2.61350 -1.0 2.0
   64    65   -67    69   0.78400  1.0 3.0
   65    64    38    33  -0.33500  1.0 1.0
   65    64    38    33   1.06600 -1.0 2.0
   65    64    38    33  -0.14000  1.0 3.0
   65    64    38    39   1.00000 -1.0 2.0
   65    67    69    70   7.00000 -1.0 2.0
   65    67    69    71   7.00000 -1.0 2.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    69  -0.18600  1.0 3.0
   67    69   -71    61  -1.18350  1.0 1.0
   67    69   -71    61   1.45950 -1.0 2.0
   67    69    71    72   1.00000 -1.0 2.0
   68    67    69    70   7.00000 -1.0 2.0
   68    67    69    71   7.00000 -1.0 2.0
   70    69    71    61   0.93700 -1.0 2.0
   70    69    71    72   0.00000  1.0 1.0
   71    61   -64    65  -0.18600  1.0 3.0
   71    61    64    38   1.08500 -1.0 2.0
   38    33    37    40   0.04300 -1.0 2.0
   38    33    37    60   0.04300 -1.0 2.0
   38    33    46    43  -0.95700  1.0 1.0
   38    33    46    43  -0.18200 -1.0 2.0
   38    33    46    43   0.29450  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33   -46    58  -0.98800  1.0 1.0
   38    33   -46    58   0.48800 -1.0 2.0
   38    33   -46    58   0.76800  1.0 3.0
   38    64    65    66   7.00000 -1.0 2.0
   38    64    65    67   7.00000 -1.0 2.0
   48    43    46    33   1.36600  1.0 1.0
   48    43    46    33  -0.11450 -1.0 2.0
   48    43    46    33   0.24250  1.0 3.0
   48    43    46    47   0.19200  1.0 3.0
   48    43    46    58  -0.47300  1.0 1.0
   48    43    46    58   0.29700 -1.0 2.0
   48    43    46    58   0.83300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   40    60    37    33   4.00000 -1.0 2.0
   41    43    40    37   4.00000 -1.0 2.0
   45    42    41    40   1.10000 -1.0 2.0
   52    54    45    41   4.00000 -1.0 2.0
   60    53    52    45   1.10000 -1.0 2.0
   52    62    60    37   4.00000 -1.0 2.0
   46    59    58    61   1.10000 -1.0 2.0
   64    71    61    58   1.10000 -1.0 2.0
   61    38    64    65   1.10000 -1.0 2.0
   67    66    65    64   1.10000 -1.0 2.0
   65    68    67    69   1.10000 -1.0 2.0
   71    70    69    67   1.10000 -1.0 2.0
   61    69    71    72  10.50000 -1.0 2.0
   33    64    38    39  10.50000 -1.0 2.0
END
