* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    127    215     380
    1     0 S   NP   _N1_     1    28.41145    96.65074   -22.65738
    2     1 S   H    _HN1     2     1.02968    74.90527    39.63784
    3     1 S   H    _H1_     3     1.02826    41.72572   178.95022
    4     1 S   H    _H2_     4     1.02771    93.98120   -68.30038
    5     1 S   CT   _CA1     5     1.50166   148.70035   143.97230
    6     5 S   HC   _HA1     6     1.09585   105.15909    83.08175
    7     5 S   CO3  _C1_     7     1.53749   112.45816   -36.86259
    8     7 S   O2Z  _O11     8     1.26346   114.99362   -41.25047
    9     7 S   O2Z  _O12     9     1.26251   114.91185   137.72608
   10     5 S   CT   _CB1    10     1.53083   107.34758  -159.20741
   11    10 S   HC   HB11    11     1.09821   109.03287   -51.97589
   12    10 S   HC   HB12    12     1.09816   110.48113    64.45548
   13    10 S   CT   _CG1    13     1.53010   112.83641  -173.22477
   14    13 S   HC   HG11    14     1.09602   110.33470   -67.50415
   15    13 S   HC   HG12    15     1.09662   110.02488    51.69075
   16    13 S   C    _CD1    16     1.51857   112.38329   171.74277
   17    16 S   O    _OE1    17     1.22724   123.26844    -4.26301
   18    16 S   N    _N2_    18     1.38653   111.66511   176.63885
   19    18 S   H    _HN2    19     1.01583   118.99968     0.23739
   20    18 S   CT1  _CA2    20     1.46190   123.36814   178.28719
   21    20 S   HC   _HA2    21     1.09738   109.43043    -4.66052
   22    20 S   C    _C2_    22     1.53531   108.41449  -120.17010
   23    22 S   O    _O2_    23     1.23027   122.15005  -146.25475
   24    20 S   CT   _CB2    32     1.53529   111.64576   117.46517
   25    24 S   HC   HB21    33     1.09430   109.41762    55.58982
   26    24 S   HC   HB22    34     1.09369   109.54348   174.51952
   27    22 S   N    _N3_    24     1.38485   113.52165    41.12332
   28    27 S   H    _HN3    25     1.01507   118.91830    -0.75303
   29    24 S   S    _SG2    35     1.82964   111.31614   -65.69792
   30    27 S   CT   _CA3    26     1.45468   123.60907   175.18623
   31    30 S   HC   HA31    27     1.09515   109.41472    20.47740
   32    30 S   HC   HA32    28     1.09504   107.06308   137.52254
   33    29 S   CT   _C14    36     1.86696   102.35124   176.93120
   34    30 S   CO3  _C3_    29     1.52930   113.04947  -103.12299
   35    34 S   O2Z  _O31    30     1.26411   115.40029   -43.73149
   36    34 S   O2Z  _O32    31     1.26353   114.98215   137.17856
   37    33 S   CO4  _C15    37     1.52706   104.59260    64.35497
   38    37 S   O    _O35    38     1.23189   121.43560    68.60181
   39    33 S   CM   _C12    54     1.56351   115.52848  -178.69914
   40    37 S   CA   _C16    39     1.48715   119.63744  -111.02509
   41    39 S   CO4  _C13    55     1.51256   112.34859  -169.00961
   42    41 S   O    _O34    56     1.22680   122.08083   -20.63052
   43    40 S   CA   _C17    40     1.39130   121.04086    -3.68584
   44    41 S   CA   _C8_    57     1.46498   119.02281   157.79041
   45    43 S   CA   _C18    41     1.41106   120.20207  -179.96574
   46    45 S   HA   _H5_    42     1.09249   118.80916   179.96044
   47    43 S   CO4  _C22    50     1.47184   122.12603    -0.19584
   48    47 S   O    _O39    51     1.22353   122.10966  -179.76510
   49    44 S   CA   _C9_    58     1.38530   118.16970    22.54851
   50    45 S   CA   _C19    43     1.41067   123.54299     0.04423
   51    50 S   OM   _O37    44     1.27627   122.81962   179.96044
   52    33 S   CO4  _C23    52     1.50950   106.42571   -61.34666
   53    52 S   O    _O38    53     1.22643   124.64718   -68.37866
   54    49 S   CA   _C4_    59     1.40162   120.47062   178.56619
   55    54 S   HA   _H3_    60     1.08686   120.55931  -179.81762
   56    49 S   CO4  _C10    69     1.46727   119.64526     0.21489
   57    56 S   O    _O33    70     1.22993   118.06855   160.18708
   58    50 S   CA   _C20    45     1.40731   114.33687    -0.01978
   59    58 S   HA   _H6_    46     1.09183   118.92526  -180.00000
   60    54 S   CA   _C5_    61     1.39290   119.46321     0.44675
   61    39 S   CMA  _C11    71     1.36242   128.55150    13.31426
   62    61 S   OM   _O40    72     1.26329   130.80625     1.51090
   63    40 S   CA   _C21    47     1.39950   121.06169   176.43509
   64    60 S   CA   _C6_    62     1.39042   120.71820    -0.43879
   65    64 S   HA   _H4_    63     1.08661   120.27767  -179.83331
   66    60 S   OH   _O42    67     1.36607   121.07805   179.70195
   67    66 S   HO   _H9_    68     0.97255   108.64517    -0.06256
   68    63 S   OH   _O36    48     1.37067   123.71297    -0.14671
   69    68 S   HO   _H7_    49     0.97347   108.93717     0.49138
   70    44 S   CA   _C7_    64     1.40312   122.35878  -158.99262
   71    70 S   OH   _O41    65     1.36887   123.25184     1.39170
   72    71 S   HO   _H8_    66     0.97385   108.88559    -4.46989
  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  13   5  13  12  11   4  11  12   9   4   5   2
  11   5   3   2   1  10   4   5   2   4   2   6   1   1   2   6
   3   2   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    47    52    53    39    41    61  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    63    47    48    52    53    39    41    42    44    56    61    62  
   35    36  
   36  
    0  
   38    40    43    45    58    63    68    47    52    53    39    41    61  
   40    43    63    52    39  
   41    42    44    49    70    56    57    61    62    40    47    52    53  
   43    45    46    50    58    59    63    68    69    47    48    52  
   42    44    49    54    64    70    71    56    61    62    52  
   44    49    70    61  
   45    46    50    51    58    63    68    47    48    52    53  
   49    54    55    60    64    65    70    71    72    56    57    61  
   46    50    51    58    59    63    47    48    52  
   50    51    58    47  
   48    52    53    50    63  
   52    53  
   54    55    60    64    70    71    66    56    57    61    62  
   51    58    59    63    68  
   58    59    63  
   53    61  
    0  
   55    60    64    65    70    66    67    56    57    61  
   60    64    66    56  
   57    61    62    60    70  
   61    62  
   59    63    68    69  
   63    68  
   64    65    70    71    66    67  
   62  
    0  
   68    69  
   65    70    71    72    66    67  
   70    71    66  
   67    70  
    0  
   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   0.167500   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   62   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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  1.522
   33    52   317.000  1.522
   33    39   317.000  1.510
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    63   469.000  1.400
   43    45   469.000  1.400
   43    47   310.000  1.470
   45    46   367.000  1.080
   45    50   469.000  1.400
   50    51   450.000  1.364
   50    58   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    68   450.000  1.364
   68    69   553.000  0.945
   47    48   570.000  1.229
   47    52   250.000  1.523
   52    53   570.000  1.229
   39    41   320.000  1.462
   39    61   465.000  1.376
   41    42   570.000  1.229
   41    44   310.000  1.470
   44    49   469.000  1.400
   44    70   469.000  1.400
   49    54   469.000  1.400
   49    56   310.000  1.470
   54    55   367.000  1.080
   54    60   469.000  1.400
   60    64   469.000  1.400
   60    66   450.000  1.364
   64    65   367.000  1.080
   64    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   66    67   553.000  0.945
   56    57   570.000  1.229
   56    61   270.000  1.476
   61    62   745.000  1.250
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  110.18000
   29    33    52    75.00000  110.18000
   29    33    39    75.00000  112.20000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    52    47    65.00000  115.45000
   33    52    53    80.00000  120.40000
   33    39    41    65.00000  116.34900
   33    39    61    70.00000  124.00000
   37    40    43    60.00000  119.52600
   37    40    63    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    45    63.00000  120.00000
   40    43    47    60.00000  119.52600
   40    63    58    63.00000  120.00000
   40    63    68    70.00000  120.00000
   43    45    46    35.00000  120.00000
   43    45    50    63.00000  120.00000
   43    47    48    75.00000  123.78400
   43    47    52    60.00000  117.28700
   45    50    51    70.00000  120.00000
   45    50    58    63.00000  120.00000
   50    45    46    35.00000  120.00000
   50    58    59    35.00000  120.00000
   50    58    63    63.00000  120.00000
   58    50    51    70.00000  120.00000
   58    63    68    70.00000  120.00000
   63    40    43    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    68    69    35.00000  113.00000
   47    43    45    60.00000  119.52600
   47    52    53    80.00000  119.30300
   52    33    37    75.00000  107.99600
   52    47    48    80.00000  119.30300
   39    33    37    70.00000  109.06800
   39    33    52    70.00000  109.06800
   39    41    42    80.00000  123.72100
   39    41    44    65.00000  117.02400
   39    61    56    65.00000  114.61000
   39    61    62    65.00000  137.10300
   41    44    49    60.00000  119.52600
   41    44    70    60.00000  119.52600
   44    41    42    75.00000  123.78400
   44    49    54    63.00000  120.00000
   44    49    56    60.00000  119.52600
   44    70    64    63.00000  120.00000
   44    70    71    70.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    60    63.00000  120.00000
   49    56    57    75.00000  123.78400
   49    56    61    60.00000  117.44000
   54    60    64    63.00000  120.00000
   54    60    66    70.00000  120.00000
   60    54    55    35.00000  120.00000
   60    64    65    35.00000  120.00000
   60    64    70    63.00000  120.00000
   60    66    67    35.00000  113.00000
   64    70    71    70.00000  120.00000
   70    44    49    63.00000  120.00000
   70    64    65    35.00000  120.00000
   70    71    72    35.00000  113.00000
   66    60    64    70.00000  120.00000
   56    49    54    60.00000  119.52600
   56    61    62    85.00000  116.28000
   61    39    41    60.00000  125.92000
   61    56    57    80.00000  120.81000
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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    52    47   0.65300  1.0 1.0
   29    33    52    47  -0.03850 -1.0 2.0
   29    33    52    47   0.33900  1.0 3.0
   29    33    52    53   0.30150 -1.0 2.0
   29    33    39    41   0.09700  1.0 1.0
   29    33    39    41   0.15600 -1.0 2.0
   29    33    39    41  -0.50800  1.0 3.0
   29    33    39    61   0.42700  1.0 1.0
   29    33    39    61  -0.70350 -1.0 2.0
   29    33    39    61  -0.43150  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    63   2.26350  1.0 1.0
   33    37    40    63   0.76750 -1.0 2.0
   33    37    40    63   0.22500  1.0 3.0
   33    39    41    42  -0.64400  1.0 1.0
   33    39    41    42   0.26850 -1.0 2.0
   33    39    41    44   1.50000 -1.0 2.0
   33    39    61    56   7.00000 -1.0 2.0
   33    39    61    62   7.00000 -1.0 2.0
   37    33    52    47   0.65300  1.0 1.0
   37    33    52    47  -0.03850 -1.0 2.0
   37    33    52    47   0.33900  1.0 3.0
   37    33    52    53   0.30150 -1.0 2.0
   37    33    39    41   0.09700  1.0 1.0
   37    33    39    41   0.15600 -1.0 2.0
   37    33    39    41  -0.50800  1.0 3.0
   37    33    39    61  -0.51250  1.0 1.0
   37    33    39    61  -0.88800 -1.0 2.0
   37    33    39    61   0.08850  1.0 3.0
   37    40    43    45   3.62500 -1.0 2.0
   37    40   -43    47   3.62500 -1.0 2.0
   37    40    63    58   3.62500 -1.0 2.0
   37    40    63    68   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    63   1.05000 -1.0 2.0
   40    43    45    46   3.62500 -1.0 2.0
   40    43    45    50   3.62500 -1.0 2.0
   40    43    47    48   1.05000 -1.0 2.0
   40    43    47    52   0.56600 -1.0 2.0
   40    63    68    69   0.84100 -1.0 2.0
   43    40    63    58   3.62500 -1.0 2.0
   43    40    63    68   3.62500 -1.0 2.0
   43    45    50    51   3.62500 -1.0 2.0
   43    45   -50    58   3.62500 -1.0 2.0
   43    47   -52    33   0.43900  1.0 1.0
   43    47   -52    33  -0.18150 -1.0 2.0
   43    47   -52    33  -0.03650  1.0 3.0
   43    47    52    53   0.03000  1.0 1.0
   43    47    52    53   0.58800 -1.0 2.0
   43    47    52    53   0.15550  1.0 3.0
   45    43    47    48   1.05000 -1.0 2.0
   45    43    47    52   0.56600 -1.0 2.0
   45    50    58    59   3.62500 -1.0 2.0
   45    50    58    63   3.62500 -1.0 2.0
   46    45    50    51   3.62500 -1.0 2.0
   46    45    50    58   3.62500 -1.0 2.0
   50    58   -63    40   3.62500 -1.0 2.0
   50    58    63    68   3.62500 -1.0 2.0
   51    50    58    59   3.62500 -1.0 2.0
   51    50    58    63   3.62500 -1.0 2.0
   58    63    68    69   0.84100 -1.0 2.0
   59    58    63    40   3.62500 -1.0 2.0
   59    58    63    68   3.62500 -1.0 2.0
   63    40   -43    45   3.62500 -1.0 2.0
   63    40    43    47   3.62500 -1.0 2.0
   47    43    45    46   3.62500 -1.0 2.0
   47    43    45    50   3.62500 -1.0 2.0
   48    47    52    33   0.49600 -1.0 2.0
   48    47    52    53   0.06100 -1.0 2.0
   52    33    37    38   0.30150 -1.0 2.0
   52    33   -37    40   0.65300  1.0 1.0
   52    33   -37    40  -0.03850 -1.0 2.0
   52    33   -37    40   0.33900  1.0 3.0
   52    33    39    41   0.09700  1.0 1.0
   52    33    39    41   0.15600 -1.0 2.0
   52    33    39    41  -0.50800  1.0 3.0
   52    33    39    61  -0.51250  1.0 1.0
   52    33    39    61  -0.88800 -1.0 2.0
   52    33    39    61   0.08850  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    52    47   0.65300  1.0 1.0
   39    33    52    47  -0.03850 -1.0 2.0
   39    33    52    47   0.33900  1.0 3.0
   39    33    52    53   0.30150 -1.0 2.0
   39    41    44    49  -0.11500  1.0 1.0
   39    41    44    49   1.10450 -1.0 2.0
   39    41    44    49  -0.48050  1.0 3.0
   39    41    44    70  -0.11500  1.0 1.0
   39    41    44    70   1.10450 -1.0 2.0
   39    41    44    70  -0.48050  1.0 3.0
   41    39    61    56   7.00000 -1.0 2.0
   41    39    61    62   7.00000 -1.0 2.0
   41    44    49    54   3.62500 -1.0 2.0
   41    44   -49    56   3.62500 -1.0 2.0
   41    44    70    64   3.62500 -1.0 2.0
   41    44    70    71   3.62500 -1.0 2.0
   42    41    44    49   1.05000 -1.0 2.0
   42    41    44    70   1.05000 -1.0 2.0
   44    49    54    55   3.62500 -1.0 2.0
   44    49    54    60   3.62500 -1.0 2.0
   44    49    56    57   1.05000 -1.0 2.0
   44    49    56    61  -0.11500  1.0 1.0
   44    49    56    61   1.10450 -1.0 2.0
   44    49    56    61  -0.48050  1.0 3.0
   44    70    71    72   0.84100 -1.0 2.0
   49    44    70    64   3.62500 -1.0 2.0
   49    44    70    71   3.62500 -1.0 2.0
   49    54   -60    64   3.62500 -1.0 2.0
   49    54    60    66   3.62500 -1.0 2.0
   49    56   -61    39  -1.65800  1.0 1.0
   49    56   -61    39   0.77650 -1.0 2.0
   49    56    61    62   1.50000 -1.0 2.0
   54    49    56    57   1.05000 -1.0 2.0
   54    49    56    61  -0.11500  1.0 1.0
   54    49    56    61   1.10450 -1.0 2.0
   54    49    56    61  -0.48050  1.0 3.0
   54    60    64    65   3.62500 -1.0 2.0
   54    60    64    70   3.62500 -1.0 2.0
   54    60    66    67   0.84100 -1.0 2.0
   55    54    60    64   3.62500 -1.0 2.0
   55    54    60    66   3.62500 -1.0 2.0
   60    64   -70    44   3.62500 -1.0 2.0
   60    64    70    71   3.62500 -1.0 2.0
   64    60    66    67   0.84100 -1.0 2.0
   64    70    71    72   0.84100 -1.0 2.0
   65    64    70    44   3.62500 -1.0 2.0
   65    64    70    71   3.62500 -1.0 2.0
   70    44   -49    54   3.62500 -1.0 2.0
   70    44    49    56   3.62500 -1.0 2.0
   66    60    64    65   3.62500 -1.0 2.0
   66    60    64    70   3.62500 -1.0 2.0
   56    49    54    55   3.62500 -1.0 2.0
   56    49    54    60   3.62500 -1.0 2.0
   57    56    61    39   1.00000 -1.0 2.0
   57    56    61    62  -0.11900  1.0 1.0
   57    56    61    62   0.76850 -1.0 2.0
   57    56    61    62   0.14100  1.0 3.0
   61    39    41    42   1.00000 -1.0 2.0
   61    39   -41    44  -1.65800  1.0 1.0
   61    39   -41    44   0.77650 -1.0 2.0
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
   33    40    37    38  10.50000 -1.0 2.0
   43    63    40    37   4.00000 -1.0 2.0
   45    47    43    40   4.00000 -1.0 2.0
   50    46    45    43   1.10000 -1.0 2.0
   58    51    50    45   4.00000 -1.0 2.0
   63    59    58    50   1.10000 -1.0 2.0
   58    68    63    40   4.00000 -1.0 2.0
   43    52    47    48  10.50000 -1.0 2.0
   33    47    52    53  10.50000 -1.0 2.0
   33    41    39    61   1.10000 -1.0 2.0
   39    44    41    42  10.50000 -1.0 2.0
   49    70    44    41   4.00000 -1.0 2.0
   54    56    49    44   4.00000 -1.0 2.0
   60    55    54    49   1.10000 -1.0 2.0
   64    66    60    54   4.00000 -1.0 2.0
   70    65    64    60   1.10000 -1.0 2.0
   64    71    70    44   4.00000 -1.0 2.0
   49    61    56    57  10.50000 -1.0 2.0
   56    62    61    39   1.10000 -1.0 2.0
END
