* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    215     380
    1     0 S   NP   _N1_     1    28.74688    96.35810   -20.72722
    2     1 S   H    _HN1     2     1.02775    84.36538   -82.42745
    3     1 S   H    _H1_     3     1.02958    83.03575    26.85829
    4     1 S   H    _H2_     4     1.02831    41.68419   152.44057
    5     1 S   CT   _CA1     5     1.50123   152.38265   148.43523
    6     5 S   HC   _HA1     6     1.09576   105.23084    62.06098
    7     5 S   CO3  _C1_     7     1.53820   112.29930   -58.11645
    8     7 S   O2Z  _O11     8     1.26366   115.00945   -45.24254
    9     7 S   O2Z  _O12     9     1.26241   114.91932   133.79599
   10     5 S   CT   _CB1    10     1.53088   107.39731   179.92087
   11    10 S   HC   HB11    11     1.09822   109.37992   -50.71083
   12    10 S   HC   HB12    12     1.09820   110.41126    65.86124
   13    10 S   CT   _CG1    13     1.52979   112.63069  -171.81837
   14    13 S   HC   HG11    14     1.09581   110.33444   -62.46833
   15    13 S   HC   HG12    15     1.09644   110.06308    56.68290
   16    13 S   C    _CD1    16     1.51827   112.30364   176.98832
   17    16 S   O    _OE1    17     1.22726   123.26646    -5.89734
   18    16 S   N    _N2_    18     1.38563   111.60692   174.50264
   19    18 S   H    _HN2    19     1.01603   118.94999     0.35882
   20    18 S   CT1  _CA2    20     1.46207   123.56831  -178.11695
   21    20 S   HC   _HA2    21     1.09726   109.42477    -7.66992
   22    20 S   C    _C2_    22     1.53424   108.67002  -123.44564
   23    22 S   O    _O2_    23     1.23027   122.16912  -147.86043
   24    20 S   CT   _CB2    32     1.53443   111.03082   114.26623
   25    24 S   HC   HB21    33     1.09462   109.35827    56.66761
   26    24 S   HC   HB22    34     1.09517   110.59470   174.87868
   27    22 S   N    _N3_    24     1.38495   113.50266    39.70927
   28    27 S   H    _HN3    25     1.01512   118.88436    -0.86525
   29    24 S   S    _SG2    35     1.83441   111.17776   -66.21921
   30    27 S   CT   _CA3    26     1.45442   123.49899   175.05882
   31    30 S   HC   HA31    27     1.09520   109.29098    23.51784
   32    30 S   HC   HA32    28     1.09497   107.11384   140.52409
   33    29 S   CT   _C23    36     1.88453   101.61723   145.02309
   34    30 S   CO3  _C3_    29     1.52914   113.06043   -99.99861
   35    34 S   O2Z  _O31    30     1.26406   115.38419   -45.21186
   36    34 S   O2Z  _O32    31     1.26352   115.00099   135.72145
   37    33 S   CA   _C16    37     1.56531   108.42727   175.36037
   38    33 S   CM   _C20    56     1.51542   109.97206    51.32140
   39    38 S   HC   _H35    57     1.09033   116.02299    34.55517
   40    37 S   CA   _C8_    38     1.41192   117.87996   111.17153
   41    40 S   HA   _H31    39     1.08578   122.07473    -2.74410
   42    38 S   CMA  _C21    58     1.35483   128.91103  -142.64229
   43    42 S   OM   _O21    59     1.26652   124.89377   178.70623
   44    40 S   CA   _C11    40     1.38635   122.17632   177.24210
   45    44 S   HA   _H34    41     1.08654   119.09356  -179.32276
   46    42 S   CA   _C15    60     1.51074   114.18081    -0.38866
   47    44 S   CA   _C18    42     1.38702   119.75721     0.51813
   48    46 S   CA   _C14    61     1.40432   120.35114    20.19242
   49    47 S   CA   _C13    43     1.41541   121.92948     1.32722
   50    47 S   OH   _O24    54     1.37339   117.52446  -179.43629
   51    50 S   HO   _H37    55     0.97167   109.36524     0.49496
   52    48 S   CA   _C7_    62     1.40467   122.09564   175.50625
   53    52 S   HA   _H30    63     1.08722   121.04222   179.92867
   54    33 S   CO4  _C22    71     1.54434   105.85490   -63.31743
   55    54 S   O    _O22    72     1.22929   124.41076   -28.17113
   56    37 S   CA   _C12    44     1.44864   124.26513   -68.61880
   57    52 S   CA   _C5_    64     1.38980   120.05594     1.18349
   58    57 S   HA   _H28    65     1.08583   120.21789   179.47400
   59    56 S   CA   _C6_    45     1.42053   124.02150     4.22276
   60    59 S   HA   _H29    46     1.08318   121.51184     2.63448
   61    57 S   CA   _C10    66     1.38875   119.55300     0.01978
   62    61 S   HA   _H33    67     1.08676   119.72586   179.60634
   63    59 S   CA   _C4_    47     1.39616   123.64417  -178.78534
   64    63 S   HA   _H27    48     1.08620   119.91940   179.79252
   65    46 S   CA   _C19    68     1.41476   123.46857  -163.05263
   66    63 S   CA   _C9_    49     1.37860   119.79284    -0.45885
   67    66 S   HA   _H32    50     1.08569   119.57200   179.85196
   68    65 S   OH   _O25    69     1.37329   122.90046     4.01430
   69    68 S   HO   _H38    70     0.97567   107.36400    -4.60070
   70    49 S   CA   _C17    51     1.42590   122.78047   178.94873
   71    70 S   OH   _O23    52     1.37479   120.21320     1.33677
   72    71 S   HO   _H36    53     0.97164   109.36169   180.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  17  10   4   9   4   8   3   7   3  11   8   9
  11   3   1   8   4   4   1   7   5   3   6   3   4   2   5   3
   2   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    38    39    42    48    54    55  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    49    56    59    38    39    42    43    46    48    52    54    55  
   35    36  
   36  
    0  
   40    41    44    45    47    49    56    59    60    63    70    38    39    42    48    54    55  
   39    42    43    46    48    65    54    55    40    56  
   42    43    46    54  
   41    44    45    47    49    56    59    50    54  
   44    45    47    56  
   43    46    48    52    61    65    68    54  
   46    48    65  
   45    47    49    56    70    50    51  
   47    49    50  
   48    52    53    57    61    62    65    68    69    54    55  
   49    56    59    66    70    71    50    51  
   52    53    57    58    61    65    68    54    55  
   56    59    60    63    66    67    70    71    72    50    51  
   51    56    70  
    0  
   53    57    58    61    62    65    54    55  
   57    58    61    54  
   55    56    57    65  
    0  
   59    60    63    64    66    70    71  
   58    61    62    65    68  
   61    62    65  
   60    63    64    66    67    70  
   63    64    66  
   62    65    68    69  
   65    68  
   64    66    67    70    71  
   66    67    70  
   68    69  
   67    70    71    72  
   70    71  
   69  
    0  
   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.0700  -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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    38   317.000  1.510
   33    54   317.000  1.522
   37    40   469.000  1.400
   37    56   469.000  1.400
   40    41   367.000  1.080
   40    44   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    49   469.000  1.400
   47    50   450.000  1.364
   49    56   469.000  1.400
   49    70   469.000  1.400
   56    59   469.000  1.400
   59    60   367.000  1.080
   59    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   50    51   553.000  0.945
   38    39   340.000  1.080
   38    42   465.000  1.376
   42    43   745.000  1.250
   42    46   320.000  1.460
   46    48   469.000  1.400
   46    65   469.000  1.400
   48    52   469.000  1.400
   48    54   310.000  1.470
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    68   450.000  1.364
   68    69   553.000  0.945
   54    55   570.000  1.229
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    38    75.00000  112.20000
   29    33    54    75.00000  110.18000
   33    37    40    70.00000  120.00000
   33    37    56    70.00000  120.00000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    54    48    65.00000  115.47100
   33    54    55    80.00000  120.40000
   37    40    41    35.00000  120.00000
   37    40    44    63.00000  120.00000
   37    56    49    63.00000  120.00000
   37    56    59    63.00000  120.00000
   40    44    45    35.00000  120.00000
   40    44    47    63.00000  120.00000
   44    40    41    35.00000  120.00000
   44    47    49    63.00000  120.00000
   44    47    50    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    49    56    63.00000  120.00000
   47    49    70    63.00000  120.00000
   47    50    51    35.00000  113.00000
   49    56    59    63.00000  120.00000
   49    70    66    63.00000  120.00000
   49    70    71    70.00000  120.00000
   56    37    40    63.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    63    63.00000  120.00000
   59    63    64    35.00000  120.00000
   59    63    66    63.00000  120.00000
   63    59    60    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    70    71    70.00000  120.00000
   70    49    56    63.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  113.00000
   50    47    49    70.00000  120.00000
   38    33    37    70.00000  112.99600
   38    42    43    65.00000  137.10300
   38    42    46    60.00000  123.20500
   42    38    39    40.00000  120.50800
   42    46    48    60.00000  120.93500
   42    46    65    60.00000  120.93500
   46    42    43    85.00000  114.86500
   46    48    52    63.00000  120.00000
   46    48    54    60.00000  119.52600
   46    65    61    63.00000  120.00000
   46    65    68    70.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    55    75.00000  123.78400
   52    57    58    35.00000  120.00000
   52    57    61    63.00000  120.00000
   57    52    53    35.00000  120.00000
   57    61    62    35.00000  120.00000
   57    61    65    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    65    68    70.00000  120.00000
   65    46    48    63.00000  120.00000
   65    61    62    35.00000  120.00000
   65    68    69    35.00000  113.00000
   54    33    37    70.00000  110.93000
   54    33    38    70.00000  109.06800
   54    48    52    60.00000  119.52600
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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    56  -0.16000  1.0 1.0
   29    33    37    56  -0.03200 -1.0 2.0
   29    33    37    56   0.04500  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    54    48   0.65300  1.0 1.0
   29    33    54    48  -0.03850 -1.0 2.0
   29    33    54    48   0.33900  1.0 3.0
   29    33    54    55   0.30150 -1.0 2.0
   33    37    40    41   3.62500 -1.0 2.0
   33    37    40    44   3.62500 -1.0 2.0
   33    37    56    49   3.62500 -1.0 2.0
   33    37    56    59   3.62500 -1.0 2.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    46   7.00000 -1.0 2.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    42   1.44450  1.0 1.0
   37    33    38    42   0.06600 -1.0 2.0
   37    33    38    42   0.29250  1.0 3.0
   37    33    54    48   0.65300  1.0 1.0
   37    33    54    48  -0.03850 -1.0 2.0
   37    33    54    48   0.33900  1.0 3.0
   37    33    54    55   0.30150 -1.0 2.0
   37    40    44    45   3.62500 -1.0 2.0
   37    40    44    47   3.62500 -1.0 2.0
   37    56    59    60   3.62500 -1.0 2.0
   37    56    59    63   3.62500 -1.0 2.0
   40    37    56    49   3.62500 -1.0 2.0
   40    37    56    59   3.62500 -1.0 2.0
   40    44   -47    49   3.62500 -1.0 2.0
   40    44    47    50   3.62500 -1.0 2.0
   41    40    44    45   3.62500 -1.0 2.0
   41    40    44    47   3.62500 -1.0 2.0
   44    47    49    56   3.62500 -1.0 2.0
   44    47    49    70   3.62500 -1.0 2.0
   44    47    50    51   0.84100 -1.0 2.0
   45    44    47    49   3.62500 -1.0 2.0
   45    44    47    50   3.62500 -1.0 2.0
   47    49   -56    37   3.62500 -1.0 2.0
   47    49    56    59   3.62500 -1.0 2.0
   47    49    70    66   3.62500 -1.0 2.0
   47    49    70    71   3.62500 -1.0 2.0
   49    47    50    51   0.84100 -1.0 2.0
   49    56    59    60   3.62500 -1.0 2.0
   49    56    59    63   3.62500 -1.0 2.0
   49    70    71    72   0.84100 -1.0 2.0
   56    37    40    41   3.62500 -1.0 2.0
   56    37   -40    44   3.62500 -1.0 2.0
   56    49    70    66   3.62500 -1.0 2.0
   56    49    70    71   3.62500 -1.0 2.0
   56    59    63    64   3.62500 -1.0 2.0
   56    59   -63    66   3.62500 -1.0 2.0
   59    63    66    67   3.62500 -1.0 2.0
   59    63    66    70   3.62500 -1.0 2.0
   60    59    63    64   3.62500 -1.0 2.0
   60    59    63    66   3.62500 -1.0 2.0
   63    66   -70    49   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    70   3.62500 -1.0 2.0
   66    70    71    72   0.84100 -1.0 2.0
   67    66    70    49   3.62500 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   70    49    56    37   3.62500 -1.0 2.0
   70    49   -56    59   3.62500 -1.0 2.0
   50    47    49    56   3.62500 -1.0 2.0
   50    47    49    70   3.62500 -1.0 2.0
   38    33    37    40   0.18050 -1.0 2.0
   38    33    37    56   0.18050 -1.0 2.0
   38    33    54    48   0.65300  1.0 1.0
   38    33    54    48  -0.03850 -1.0 2.0
   38    33    54    48   0.33900  1.0 3.0
   38    33    54    55   0.30150 -1.0 2.0
   38    42   -46    48   0.15800  1.0 1.0
   38    42   -46    48   1.85350 -1.0 2.0
   38    42   -46    48  -0.48700  1.0 3.0
   38    42    46    65   0.15800  1.0 1.0
   38    42    46    65   1.85350 -1.0 2.0
   38    42    46    65  -0.48700  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    46   7.00000 -1.0 2.0
   42    46    48    52   3.62500 -1.0 2.0
   42    46    48    54   3.62500 -1.0 2.0
   42    46    65    61   3.62500 -1.0 2.0
   42    46    65    68   3.62500 -1.0 2.0
   43    42    46    48  -0.01750  1.0 1.0
   43    42    46    48  -0.32000 -1.0 2.0
   43    42    46    48   0.00600  1.0 3.0
   43    42    46    65  -0.01750  1.0 1.0
   43    42    46    65  -0.32000 -1.0 2.0
   43    42    46    65   0.00600  1.0 3.0
   46    48    52    53   3.62500 -1.0 2.0
   46    48    52    57   3.62500 -1.0 2.0
   46    48   -54    33   2.26350  1.0 1.0
   46    48   -54    33   0.76750 -1.0 2.0
   46    48   -54    33   0.22500  1.0 3.0
   46    48    54    55   1.05000 -1.0 2.0
   46    65    68    69   0.84100 -1.0 2.0
   48    46    65    61   3.62500 -1.0 2.0
   48    46    65    68   3.62500 -1.0 2.0
   48    52    57    58   3.62500 -1.0 2.0
   48    52   -57    61   3.62500 -1.0 2.0
   52    48    54    33   2.26350  1.0 1.0
   52    48    54    33   0.76750 -1.0 2.0
   52    48    54    33   0.22500  1.0 3.0
   52    48    54    55   1.05000 -1.0 2.0
   52    57    61    62   3.62500 -1.0 2.0
   52    57    61    65   3.62500 -1.0 2.0
   53    52    57    58   3.62500 -1.0 2.0
   53    52    57    61   3.62500 -1.0 2.0
   57    61   -65    46   3.62500 -1.0 2.0
   57    61    65    68   3.62500 -1.0 2.0
   58    57    61    62   3.62500 -1.0 2.0
   58    57    61    65   3.62500 -1.0 2.0
   61    65    68    69   0.84100 -1.0 2.0
   62    61    65    46   3.62500 -1.0 2.0
   62    61    65    68   3.62500 -1.0 2.0
   65    46   -48    52   3.62500 -1.0 2.0
   65    46    48    54   3.62500 -1.0 2.0
   54    33    37    40   0.04300 -1.0 2.0
   54    33    37    56   0.04300 -1.0 2.0
   54    33    38    39   0.00000  1.0 1.0
   54    33   -38    42  -0.51250  1.0 1.0
   54    33   -38    42  -0.88800 -1.0 2.0
   54    33   -38    42   0.08850  1.0 3.0
   54    48    52    53   3.62500 -1.0 2.0
   54    48    52    57   3.62500 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   40    56    37    33   4.00000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   47    45    44    40   1.10000 -1.0 2.0
   49    50    47    44   4.00000 -1.0 2.0
   56    70    49    47   4.00000 -1.0 2.0
   49    59    56    37   4.00000 -1.0 2.0
   63    60    59    56   1.10000 -1.0 2.0
   66    64    63    59   1.10000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   66    71    70    49   4.00000 -1.0 2.0
   33    39    38    42   1.10000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   48    65    46    42   4.00000 -1.0 2.0
   52    54    48    46   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   61    58    57    52   1.10000 -1.0 2.0
   65    62    61    57   1.10000 -1.0 2.0
   61    68    65    46   4.00000 -1.0 2.0
   33    48    54    55  10.50000 -1.0 2.0
END
