* LIGAND DATABASE FILE (OPLS2005)
*
001      72    76    135    229     403
    1     0 S   NP   _N1_     1    28.98074    94.67608   -25.95285
    2     1 S   H    _HN1     2     1.02794   120.49814  -107.27935
    3     1 S   H    _H1_     3     1.02947    82.92093    -0.09691
    4     1 S   H    _H2_     4     1.02827    24.45263  -171.52903
    5     1 S   CT   _CA1     5     1.50129   117.68844   109.29091
    6     5 S   HC   _HA1     6     1.09574   105.16240    85.01579
    7     5 S   CO3  _C1_     7     1.53765   112.43968   -35.18223
    8     7 S   O2Z  _O11     8     1.26375   115.00459   -43.06518
    9     7 S   O2Z  _O12     9     1.26235   114.94121   135.92464
   10     5 S   CT   _CB1    10     1.53059   107.40259  -157.03821
   11    10 S   HC   HB11    11     1.09841   109.31632   -49.52185
   12    10 S   HC   HB12    12     1.09810   110.48459    67.06609
   13    10 S   CT   _CG1    13     1.53022   112.64331  -170.46156
   14    13 S   HC   HG11    14     1.09570   110.72075   -67.34897
   15    13 S   HC   HG12    15     1.09670   109.70709    51.89944
   16    13 S   C    _CD1    16     1.51817   111.99578   172.36226
   17    16 S   O    _OE1    17     1.22758   123.18146    11.88791
   18    16 S   N    _N2_    18     1.38641   111.83610  -168.08318
   19    18 S   H    _HN2    19     1.01577   119.02017     0.87402
   20    18 S   CT1  _CA2    20     1.46233   123.39296   176.55190
   21    20 S   HC   _HA2    21     1.09738   109.25492     7.90435
   22    20 S   C    _C2_    22     1.53694   108.91378  -107.61888
   23    22 S   O    _O2_    23     1.23087   122.23145  -149.25979
   24    20 S   CT   _CB2    32     1.53349   111.64887   129.88607
   25    24 S   HC   HB21    33     1.09517   109.82158    56.75734
   26    24 S   HC   HB22    34     1.09513   110.09714   175.80801
   27    22 S   N    _N3_    24     1.38313   113.90962    38.25936
   28    27 S   H    _HN3    25     1.01539   119.62455    -3.20955
   29    24 S   S    _SG2    35     1.82648   111.54229   -64.22907
   30    27 S   CT   _CA3    26     1.45281   123.28127   177.22343
   31    30 S   HC   HA31    27     1.09547   107.51186   -64.87593
   32    30 S   HC   HA32    28     1.09556   107.99906    51.58308
   33    29 S   CT   _C23    36     1.85351    99.79940  -171.24554
   34    33 S   HC   _H3_    37     1.09975   104.40996    58.23998
   35    30 S   CO3  _C3_    29     1.52975   114.04250   173.58782
   36    35 S   O2Z  _O31    30     1.26384   116.08241    -0.30710
   37    35 S   O2Z  _O32    31     1.26426   114.41666   179.74899
   38    33 S   CT   _C20    38     1.56431   115.44217   -59.39175
   39    38 S   OM   _O21    39     1.32686   110.46201   -57.68580
   40    38 S   HC   _H33    40     1.09977   103.35110    72.13399
   41    38 S   CA   _C19    41     1.54465   111.35819  -176.18931
   42    41 S   CA   _C15    42     1.43966   120.34616  -159.51992
   43    41 S   CA   _C18    62     1.41459   120.18444    21.01332
   44    42 S   CA   _C10    43     1.41407   123.82810     1.23496
   45    44 S   HA   _H31    44     1.08774   120.82079    -0.12354
   46    43 S   CT   _C21    63     1.51411   123.58153    -3.79865
   47    46 S   HC   _H34    64     1.09777   108.47854   136.50385
   48    42 S   CR3  _C17    71     1.41987   119.48334  -178.71976
   49    44 S   CA   _C8_    45     1.39721   122.48747  -179.89913
   50    49 S   HA   _H29    46     1.08794   118.64891   179.90935
   51    33 S   CT   _C22    65     1.54178   109.46282   171.74334
   52    51 S   HC   _H35    66     1.09733   109.64411   -51.25155
   53    46 S   OH   _O22    69     1.43132   106.72527  -107.52527
   54    53 S   HO   _H37    70     0.97229   107.39929  -172.35869
   55    56 S   CR3  _C16    72     1.41160   118.97404    -0.03426
   56    49 S   CA   _C13    47     1.39423   120.59464     0.02798
   57    51 S   OH   _O23    67     1.42808   113.04065    67.16983
   58    57 S   HO   _H38    68     0.97552   107.23883    37.44106
   59    56 S   CA   _C6_    48     1.40303   121.17228   179.95154
   60    59 S   HA   _H27    49     1.08795   120.59002     0.00000
   61    59 S   CA   _C4_    50     1.39252   120.56595  -180.00000
   62    61 S   HA   _H25    51     1.08624   119.99907   180.00000
   63    61 S   CA   _C5_    52     1.39260   119.99758    -0.00000
   64    63 S   HA   _H26    53     1.08796   118.80765  -180.00000
   65    63 S   CA   _C12    54     1.40275   120.58254     0.01978
   66    65 S   CA   _C7_    55     1.39772   120.98184  -179.97202
   67    66 S   HA   _H28    56     1.08788   120.71265     0.00000
   68    66 S   CA   _C9_    57     1.39354   120.49560   179.93744
   69    68 S   HA   _H30    58     1.08834   118.55495  -179.89532
   70    68 S   CA   _C14    59     1.40154   120.91067     0.06256
   71    70 S   CA   _C11    60     1.39658   120.43318  -179.68847
   72    71 S   HA   _H32    61     1.09000   119.43563     0.62963
  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
  14   8   2   1   1  12   5   4  14  13  13   8   4  10   6  12
   7   3   6   3   3   1  12   8   1   1   6   3   5   3   5   2
   5   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    51    52    57  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    51    52    57    58    53  
   38    39    40    41    46    51    52    57  
   36    37  
   37  
    0  
   39    40    41    42    44    71    43    46    51    52    57    48  
   40    41    42    43    51  
   41    42    43    51  
   42    44    45    49    70    71    72    43    46    47    51    53    48    55  
   44    45    49    50    56    65    68    70    71    43    46    48    55  
   46    47    51    52    57    53    54    48    44    68    70    71    72  
   45    49    50    56    59    70    48    55  
   49    50    56    48  
   47    51    52    57    58    53    54    70    71    72  
   51    52    57    53    54    71  
   55    49    56    59    63    65    66    68    69    70    71    72  
   50    56    59    60    61    65    55  
   56    59    55  
   52    57    58    53    54    71  
   57    58    53  
   54    57    71  
    0  
   56    59    60    61    63    64    65    66    67    68    70    71  
   59    60    61    62    63    65    66    70  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63  
   62    63    64    65    66  
   63    64    65  
   64    65    66    67    68  
   65    66  
   66    67    68    69    70  
   67    68    69    70    71  
   68    69    70  
   69    70    71    72  
   70    71  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   4.2000   0.3000   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   0.000000   2.5000   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   317.000  1.510
   41    42   469.000  1.400
   41    43   469.000  1.400
   42    44   469.000  1.400
   42    48   490.000  1.398
   44    45   367.000  1.080
   44    49   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    59   469.000  1.400
   56    55   490.000  1.398
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   367.000  1.080
   63    65   469.000  1.400
   65    66   469.000  1.400
   65    55   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    48   490.000  1.398
   71    72   367.000  1.080
   71    43   469.000  1.400
   43    46   317.000  1.510
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   320.000  1.410
   51    52   340.000  1.090
   51    57   320.000  1.410
   57    58   553.000  0.945
   53    54   553.000  0.945
   48    55   490.000  1.398
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.17500
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    57    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    70.00000  120.00000
   38    41    43    70.00000  120.00000
   40    38    39    45.00000  125.66300
   41    38    39    85.00000  111.85700
   41    38    40    35.00000  109.50000
   41    42    44    63.00000  120.00000
   41    42    48    70.00000  112.88000
   41    43    71    63.00000  120.00000
   41    43    46    70.00000  120.00000
   42    44    45    35.00000  120.00000
   42    44    49    63.00000  120.00000
   42    48    70    60.00000  130.80000
   42    48    55    60.00000  130.80000
   44    49    50    35.00000  120.00000
   44    49    56    63.00000  120.00000
   49    44    45    35.00000  120.00000
   49    56    59    63.00000  120.00000
   49    56    55    70.00000  112.88000
   56    49    50    35.00000  120.00000
   56    59    60    35.00000  120.00000
   56    59    61    63.00000  120.00000
   56    55    65    60.00000  130.80000
   56    55    48    60.00000  130.80000
   59    61    62    35.00000  120.00000
   59    61    63    63.00000  120.00000
   61    59    60    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    63.00000  120.00000
   63    61    62    35.00000  120.00000
   63    65    66    63.00000  120.00000
   63    65    55    70.00000  112.88000
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    55    48    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    63.00000  120.00000
   68    70    48    70.00000  112.88000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    43    63.00000  120.00000
   70    48    55    60.00000  130.80000
   71    43    46    70.00000  120.00000
   43    41    42    63.00000  120.00000
   43    71    72    35.00000  120.00000
   43    46    47    35.00000  109.50000
   43    46    51    70.00000  112.17500
   43    46    53    90.00000  112.51600
   46    51    52    37.50000  110.70000
   46    51    57    50.00000  109.50000
   46    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    57    58    55.00000  108.50000
   57    51    52    35.00000  109.50000
   53    46    47    35.00000  109.50000
   53    46    51    50.00000  109.50000
   48    42    44    70.00000  112.88000
   48    70    71    70.00000  112.88000
   55    56    59    70.00000  112.88000
   55    65    66    70.00000  112.88000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    57   0.56750  1.0 1.0
   29    33    51    57  -0.07550 -1.0 2.0
   29    33    51    57   0.20000  1.0 3.0
   33    38    41    42   0.04150 -1.0 2.0
   33    38    41    43   0.04150 -1.0 2.0
   33    51    57    58  -0.11600  1.0 1.0
   33    51    57    58  -0.09450 -1.0 2.0
   33    51    57    58   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.43200  1.0 3.0
   34    33    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    57   0.23400  1.0 3.0
   38    33    51    46   0.56750  1.0 1.0
   38    33    51    46  -0.07550 -1.0 2.0
   38    33    51    46   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    57   0.86500  1.0 1.0
   38    33    51    57  -0.17500 -1.0 2.0
   38    33    51    57   0.20800  1.0 3.0
   38    41    42    44   3.62500 -1.0 2.0
   38    41    42    48   3.62500 -1.0 2.0
   38    41    43    71   3.62500 -1.0 2.0
   38    41   -43    46   3.62500 -1.0 2.0
   39    38    41    42   0.64500  1.0 1.0
   39    38    41    42   0.14800 -1.0 2.0
   39    38    41    42   0.20650  1.0 3.0
   39    38    41    43   0.64500  1.0 1.0
   39    38    41    43   0.14800 -1.0 2.0
   39    38    41    43   0.20650  1.0 3.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    42    44    45   3.62500 -1.0 2.0
   41    42    44    49   3.62500 -1.0 2.0
   41    42    48    70   3.62500 -1.0 2.0
   41    42    48    55   3.62500 -1.0 2.0
   41    43    46    47   0.00000  1.0 1.0
   41    43    46    51   0.04150 -1.0 2.0
   41    43    46    53   0.14300 -1.0 2.0
   41    43    46    53   0.00300  1.0 3.0
   42    41    43    71   3.62500 -1.0 2.0
   42    41    43    46   3.62500 -1.0 2.0
   42    44    49    50   3.62500 -1.0 2.0
   42    44    49    56   3.62500 -1.0 2.0
   42    48   -55    56   3.62500 -1.0 2.0
   42    48    55    65   3.62500 -1.0 2.0
   44    42    48    70   3.62500 -1.0 2.0
   44    42    48    55   3.62500 -1.0 2.0
   44    49    56    59   3.62500 -1.0 2.0
   44    49   -56    55   3.62500 -1.0 2.0
   45    44    49    50   3.62500 -1.0 2.0
   45    44    49    56   3.62500 -1.0 2.0
   49    56    59    60   3.62500 -1.0 2.0
   49    56    59    61   3.62500 -1.0 2.0
   49    56    55    65   3.62500 -1.0 2.0
   49    56    55    48   3.62500 -1.0 2.0
   50    49    56    59   3.62500 -1.0 2.0
   50    49    56    55   3.62500 -1.0 2.0
   56    59    61    62   3.62500 -1.0 2.0
   56    59    61    63   3.62500 -1.0 2.0
   59    56    55    65   3.62500 -1.0 2.0
   59    56    55    48   3.62500 -1.0 2.0
   59    61    63    64   3.62500 -1.0 2.0
   59    61   -63    65   3.62500 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    63   3.62500 -1.0 2.0
   61    63    65    66   3.62500 -1.0 2.0
   61    63    65    55   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    65   3.62500 -1.0 2.0
   63    65    66    67   3.62500 -1.0 2.0
   63    65    66    68   3.62500 -1.0 2.0
   63    65   -55    56   3.62500 -1.0 2.0
   63    65    55    48   3.62500 -1.0 2.0
   64    63    65    66   3.62500 -1.0 2.0
   64    63    65    55   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    55    56   3.62500 -1.0 2.0
   66    65    55    48   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    48   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70    71    43   3.62500 -1.0 2.0
   68    70    48    42   3.62500 -1.0 2.0
   68    70    48    55   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    48   3.62500 -1.0 2.0
   70    71   -43    41   3.62500 -1.0 2.0
   70    71    43    46   3.62500 -1.0 2.0
   70    48    55    56   3.62500 -1.0 2.0
   70    48   -55    65   3.62500 -1.0 2.0
   71    70   -48    42   3.62500 -1.0 2.0
   71    70    48    55   3.62500 -1.0 2.0
   71    43    46    47   0.00000  1.0 1.0
   71    43    46    51   0.04150 -1.0 2.0
   71    43    46    53   0.14300 -1.0 2.0
   71    43    46    53   0.00300  1.0 3.0
   72    71    43    41   3.62500 -1.0 2.0
   72    71    43    46   3.62500 -1.0 2.0
   43    41    42    44   3.62500 -1.0 2.0
   43    41    42    48   3.62500 -1.0 2.0
   43    46   -51    33  -0.03700  1.0 1.0
   43    46   -51    33   0.37200 -1.0 2.0
   43    46   -51    33  -0.47300  1.0 3.0
   43    46    51    52   0.43200  1.0 3.0
   43    46    51    57   1.13150  1.0 1.0
   43    46    51    57  -1.01400 -1.0 2.0
   43    46    53    54   0.31900  1.0 1.0
   43    46    53    54  -0.11800 -1.0 2.0
   43    46    53    54   0.38750  1.0 3.0
   46    51    57    58  -0.11600  1.0 1.0
   46    51    57    58  -0.09450 -1.0 2.0
   46    51    57    58   0.21250  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   51    33    38    39   0.62750  1.0 1.0
   51    33    38    39  -0.30950 -1.0 2.0
   51    33    38    39   0.27300  1.0 3.0
   51    33    38    40   0.15000  1.0 3.0
   51    33   -38    41  -0.03700  1.0 1.0
   51    33   -38    41   0.37200 -1.0 2.0
   51    33   -38    41  -0.47300  1.0 3.0
   51    46    53    54  -0.11600  1.0 1.0
   51    46    53    54  -0.09450 -1.0 2.0
   51    46    53    54   0.21250  1.0 3.0
   52    51    57    58   0.19450  1.0 3.0
   53    46    51    33   0.86500  1.0 1.0
   53    46    51    33  -0.17500 -1.0 2.0
   53    46    51    33   0.20800  1.0 3.0
   53    46    51    52   0.23400  1.0 3.0
   53    46    51    57   3.75450  1.0 1.0
   48    42    44    45   3.62500 -1.0 2.0
   48    42   -44    49   3.62500 -1.0 2.0
   48    70    71    72   3.62500 -1.0 2.0
   48    70   -71    43   3.62500 -1.0 2.0
   55    56    59    60   3.62500 -1.0 2.0
   55    56   -59    61   3.62500 -1.0 2.0
   55    65    66    67   3.62500 -1.0 2.0
   55    65   -66    68   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
   37    30    35    36  10.50000 -1.0 2.0
   42    43    41    38   4.00000 -1.0 2.0
   44    48    42    41   4.00000 -1.0 2.0
   49    45    44    42   1.10000 -1.0 2.0
   56    50    49    44   1.10000 -1.0 2.0
   59    55    56    49   4.00000 -1.0 2.0
   61    60    59    56   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   65    64    63    61   1.10000 -1.0 2.0
   66    55    65    63   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   71    48    70    68   4.00000 -1.0 2.0
   43    72    71    70   1.10000 -1.0 2.0
   71    46    43    41   4.00000 -1.0 2.0
   70    55    48    42   4.00000 -1.0 2.0
   65    48    55    56   4.00000 -1.0 2.0
END
