* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    120    197     356
    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    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.51176   110.91158   -60.01138
   38    33 S   OH   _O23    69     1.41987   112.61286   176.12495
   39    38 S   HO   _H36    70     0.97070   106.85546  -175.66984
   40    37 S   CA   _C11    38     1.45266   122.27109   -64.69820
   41    37 S   CMA  _C17    51     1.35735   111.27060   117.11843
   42    41 S   OM   _O18    52     1.26446   128.75530   179.57618
   43    40 S   CA   _C8_    39     1.39522   119.96794   -57.80805
   44    43 S   HA   _H29    40     1.08778   120.48963    -0.12820
   45    41 S   OS   _O19    53     1.43082   108.21068    -0.15577
   46    43 S   CA   _C14    41     1.39467   120.01426   179.88297
   47    33 S   CM   _C18    54     1.50081   111.22102    51.97856
   48    46 S   CA   _C10    42     1.39464   119.97339     0.00000
   49    48 S   HA   _H31    43     1.08790   119.95407   180.00000
   50    46 S   OH   _O21    49     1.36042   120.00137   179.98022
   51    50 S   HO   _H34    50     0.97058   110.33793     0.00000
   52    47 S   CM   _C19    55     1.33750   128.68035    66.72307
   53    52 S   HC   _H32    56     1.08856   117.43312     1.66953
   54    48 S   CA   _C15    44     1.39431   120.05664    -0.00000
   55    52 S   CA   _C12    57     1.43196   124.60108  -180.00000
   56    40 S   CA   _C9_    45     1.39538   120.04088   122.09543
   57    56 S   HA   _H30    46     1.08749   120.47078    -0.06256
   58    54 S   OH   _O22    47     1.36052   120.01649  -179.97202
   59    58 S   HO   _H35    48     0.97061   110.30640   179.98022
   60    55 S   CA   _C4_    58     1.39474   120.01903    61.68374
   61    60 S   HA   _H25    59     1.08793   120.82617     0.01978
   62    60 S   CA   _C6_    60     1.39423   120.04221  -179.96044
   63    62 S   HA   _H27    61     1.08731   119.71345  -179.97202
   64    62 S   CA   _C13    62     1.39502   120.00058     0.01978
   65    64 S   CA   _C7_    63     1.39532   119.98095     0.03426
   66    65 S   HA   _H28    64     1.08630   120.35465  -180.00000
   67    64 S   OH   _O20    67     1.36145   120.05538  -179.98022
   68    67 S   HO   _H33    68     0.97061   110.20939     0.05595
   69    55 S   CA   _C5_    65     1.39502   120.02358  -118.27023
   70    69 S   HA   _H26    66     1.08745   120.80464    -0.01978
  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
  13   2   1   1  14   6   1  13   6   2   9   4   4   7   5   8
   4   2   1   8   3   4   9   3   1   1   1   8   4   7   3   6
   5   3   2   1   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    47    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    41    45    47    52    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    56    41    42    45    47    52    53    55    38    39  
   35    36  
   36  
    0  
   40    43    44    46    54    56    57    41    42    45    47    52    38    39  
   39    40    41    45    47    52  
   47  
   43    44    46    48    54    56    57    58    50    41    42    45    47  
   42    45    47    52    43    56  
   45    47  
   44    46    48    49    54    56    57    50    51  
   46    48    56    50  
   47    52    53    55  
   48    49    54    56    58    50    51  
   52    53    55    60    69  
   49    54    56    57    58    59    50    51  
   54    56    58    50  
   51    54  
    0  
   53    55    60    61    62    65    69    70  
   55    60    69  
   56    57    58    59  
   60    61    62    63    64    65    66    69    70  
   57    58    59  
   58  
   59  
    0  
   61    62    63    64    65    69    70    67  
   62    63    64    69  
   63    64    65    66    69    67    68  
   64    65    67  
   65    66    69    70    67    68  
   66    69    70    67    68  
   69    70    67  
   68    69  
    0  
   70  
    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   0.432500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   2.8500   0.1400  -0.570000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    47   317.000  1.510
   33    38   320.000  1.410
   37    40   320.000  1.460
   37    41   465.000  1.376
   40    43   469.000  1.400
   40    56   469.000  1.400
   43    44   367.000  1.080
   43    46   469.000  1.400
   46    48   469.000  1.400
   46    50   450.000  1.364
   48    49   367.000  1.080
   48    54   469.000  1.400
   54    56   469.000  1.400
   54    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   50    51   553.000  0.945
   41    42   745.000  1.250
   41    45   440.000  1.360
   45    47   440.000  1.360
   47    52   549.000  1.340
   52    53   340.000  1.080
   52    55   320.000  1.460
   55    60   469.000  1.400
   55    69   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   469.000  1.400
   64    67   450.000  1.364
   65    66   367.000  1.080
   65    69   469.000  1.400
   69    70   367.000  1.080
   67    68   553.000  0.945
   38    39   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    47    75.00000  112.20000
   29    33    38    85.00000  114.68000
   33    37    40    60.00000  124.00000
   33    37    41    70.00000  124.00000
   33    47    45    85.00000  112.85300
   33    47    52    70.00000  124.00000
   33    38    39    55.00000  108.50000
   37    40    43    60.00000  118.70000
   37    40    56    60.00000  118.70000
   37    41    42    65.00000  137.10300
   37    41    45    80.00000  120.01400
   40    43    44    35.00000  120.00000
   40    43    46    63.00000  120.00000
   40    56    54    63.00000  120.00000
   40    56    57    35.00000  120.00000
   43    46    48    63.00000  120.00000
   43    46    50    70.00000  120.00000
   46    43    44    35.00000  120.00000
   46    48    49    35.00000  120.00000
   46    48    54    63.00000  120.00000
   46    50    51    35.00000  113.00000
   48    54    56    63.00000  120.00000
   48    54    58    70.00000  120.00000
   54    48    49    35.00000  120.00000
   54    56    57    35.00000  120.00000
   54    58    59    35.00000  113.00000
   56    40    43    63.00000  120.00000
   58    54    56    70.00000  120.00000
   50    46    48    70.00000  120.00000
   41    37    40    60.00000  123.66000
   41    45    47    90.00000  114.05000
   45    41    42    65.00000  121.00000
   45    47    52    80.00000  120.01400
   47    33    37    70.00000  110.12100
   47    52    53    35.00000  120.00000
   47    52    55    60.00000  123.20500
   52    55    60    60.00000  120.93500
   52    55    69    60.00000  120.93500
   55    52    53    40.00000  117.26300
   55    60    61    35.00000  120.00000
   55    60    62    63.00000  120.00000
   55    69    65    63.00000  120.00000
   55    69    70    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    63.00000  120.00000
   62    64    67    70.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    69    63.00000  120.00000
   64    67    68    35.00000  113.00000
   65    69    70    35.00000  120.00000
   69    55    60    63.00000  120.00000
   69    65    66    35.00000  120.00000
   67    64    65    70.00000  120.00000
   38    33    37    90.00000  110.39200
   38    33    47    90.00000  110.39200
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    47  -0.62250  1.0 1.0
   24    29    33    47  -0.38450 -1.0 2.0
   24    29    33    47   0.81900  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    47    45   0.09700  1.0 1.0
   29    33    47    45   0.15600 -1.0 2.0
   29    33    47    45  -0.50800  1.0 3.0
   29    33    47    52   0.42700  1.0 1.0
   29    33    47    52  -0.70350 -1.0 2.0
   29    33    47    52  -0.43150  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    43  -0.02500  1.0 1.0
   33    37    40    43  -0.32150 -1.0 2.0
   33    37    40    43  -0.01500  1.0 3.0
   33    37    40    56  -0.02500  1.0 1.0
   33    37    40    56  -0.32150 -1.0 2.0
   33    37    40    56  -0.01500  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37   -41    45   7.00000 -1.0 2.0
   33    47    52    53   7.00000 -1.0 2.0
   33    47    52    55   7.00000 -1.0 2.0
   37    33   -47    45   0.09700  1.0 1.0
   37    33   -47    45   0.15600 -1.0 2.0
   37    33   -47    45  -0.50800  1.0 3.0
   37    33    47    52  -0.28300  1.0 1.0
   37    33    47    52   0.26700 -1.0 2.0
   37    33    47    52  -0.63300  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    43    44   3.62500 -1.0 2.0
   37    40    43    46   3.62500 -1.0 2.0
   37    40    56    54   3.62500 -1.0 2.0
   37    40    56    57   3.62500 -1.0 2.0
   37    41   -45    47   2.00000 -1.0 2.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    45   7.00000 -1.0 2.0
   40    43    46    48   3.62500 -1.0 2.0
   40    43    46    50   3.62500 -1.0 2.0
   43    40    56    54   3.62500 -1.0 2.0
   43    40    56    57   3.62500 -1.0 2.0
   43    46    48    49   3.62500 -1.0 2.0
   43    46   -48    54   3.62500 -1.0 2.0
   43    46    50    51   0.84100 -1.0 2.0
   44    43    46    48   3.62500 -1.0 2.0
   44    43    46    50   3.62500 -1.0 2.0
   46    48    54    56   3.62500 -1.0 2.0
   46    48    54    58   3.62500 -1.0 2.0
   48    46    50    51   0.84100 -1.0 2.0
   48    54   -56    40   3.62500 -1.0 2.0
   48    54    56    57   3.62500 -1.0 2.0
   48    54    58    59   0.84100 -1.0 2.0
   49    48    54    56   3.62500 -1.0 2.0
   49    48    54    58   3.62500 -1.0 2.0
   56    40    43    44   3.62500 -1.0 2.0
   56    40   -43    46   3.62500 -1.0 2.0
   56    54    58    59   0.84100 -1.0 2.0
   58    54    56    40   3.62500 -1.0 2.0
   58    54    56    57   3.62500 -1.0 2.0
   50    46    48    49   3.62500 -1.0 2.0
   50    46    48    54   3.62500 -1.0 2.0
   41    37    40    43   0.15800  1.0 1.0
   41    37    40    43   1.85350 -1.0 2.0
   41    37    40    43  -0.48700  1.0 3.0
   41    37    40    56   0.15800  1.0 1.0
   41    37    40    56   1.85350 -1.0 2.0
   41    37    40    56  -0.48700  1.0 3.0
   41    45   -47    33   2.00000 -1.0 2.0
   41    45    47    52   2.00000 -1.0 2.0
   42    41    45    47   2.00000 -1.0 2.0
   45    47    52    53   7.00000 -1.0 2.0
   45    47    52    55   7.00000 -1.0 2.0
   47    33    37    40   0.09700  1.0 1.0
   47    33    37    40   0.15600 -1.0 2.0
   47    33    37    40  -0.50800  1.0 3.0
   47    33   -37    41  -0.28300  1.0 1.0
   47    33   -37    41   0.26700 -1.0 2.0
   47    33   -37    41  -0.63300  1.0 3.0
   47    33    38    39  -0.07800  1.0 1.0
   47    33    38    39  -0.21500 -1.0 2.0
   47    33    38    39  -0.03150  1.0 3.0
   47    52    55    60   0.15800  1.0 1.0
   47    52    55    60   1.85350 -1.0 2.0
   47    52    55    60  -0.48700  1.0 3.0
   47    52    55    69   0.15800  1.0 1.0
   47    52    55    69   1.85350 -1.0 2.0
   47    52    55    69  -0.48700  1.0 3.0
   52    55    60    61   3.62500 -1.0 2.0
   52    55    60    62   3.62500 -1.0 2.0
   52    55    69    65   3.62500 -1.0 2.0
   52    55    69    70   3.62500 -1.0 2.0
   53    52    55    60   0.56550  1.0 3.0
   53    52    55    69   0.56550  1.0 3.0
   55    60    62    63   3.62500 -1.0 2.0
   55    60    62    64   3.62500 -1.0 2.0
   60    55    69    65   3.62500 -1.0 2.0
   60    55    69    70   3.62500 -1.0 2.0
   60    62   -64    65   3.62500 -1.0 2.0
   60    62    64    67   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   62    64    65    69   3.62500 -1.0 2.0
   62    64    67    68   0.84100 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    67   3.62500 -1.0 2.0
   64    65   -69    55   3.62500 -1.0 2.0
   64    65    69    70   3.62500 -1.0 2.0
   65    64    67    68   0.84100 -1.0 2.0
   66    65    69    55   3.62500 -1.0 2.0
   66    65    69    70   3.62500 -1.0 2.0
   69    55    60    61   3.62500 -1.0 2.0
   69    55   -60    62   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    69   3.62500 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33    37    41   0.67800  1.0 1.0
   38    33    37    41   0.47050 -1.0 2.0
   38    33    37    41  -0.62500  1.0 3.0
   38    33    47    45   0.09700  1.0 1.0
   38    33    47    45   0.15600 -1.0 2.0
   38    33    47    45  -0.50800  1.0 3.0
   38    33    47    52   0.67800  1.0 1.0
   38    33    47    52   0.47050 -1.0 2.0
   38    33    47    52  -0.62500  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    41   1.10000 -1.0 2.0
   43    56    40    37   4.00000 -1.0 2.0
   46    44    43    40   1.10000 -1.0 2.0
   48    50    46    43   4.00000 -1.0 2.0
   54    49    48    46   1.10000 -1.0 2.0
   56    58    54    48   4.00000 -1.0 2.0
   54    57    56    40   1.10000 -1.0 2.0
   42    45    41    37   1.10000 -1.0 2.0
   33    45    47    52   1.10000 -1.0 2.0
   55    53    52    47   1.10000 -1.0 2.0
   60    69    55    52   4.00000 -1.0 2.0
   62    61    60    55   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   65    67    64    62   4.00000 -1.0 2.0
   69    66    65    64   1.10000 -1.0 2.0
   65    70    69    55   1.10000 -1.0 2.0
END
