* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    135    212     405
    1     0 S   NP   _N1_     1    28.94630    93.61117   -20.47243
    2     1 S   H    _HN1     2     1.02974    33.03428   117.42757
    3     1 S   H    _H1_     3     1.02790    82.51063  -102.43490
    4     1 S   H    _H2_     4     1.02855    96.30772     5.21981
    5     1 S   CT   _CA1     5     1.50569   141.18285   141.32940
    6     5 S   HC   _HA1     6     1.09680   104.61687    50.15849
    7     5 S   CO3  _C1_     7     1.54460   110.84773   -65.62104
    8     7 S   O2Z  _O11     8     1.26093   116.80254  -122.07607
    9     7 S   O2Z  _O12     9     1.26562   113.74175    57.03774
   10     5 S   CT   _CB1    10     1.53074   106.97325   166.26881
   11    10 S   HC   HB11    11     1.09838   109.99166   -41.57663
   12    10 S   HC   HB12    12     1.09792   110.05554    75.01052
   13    10 S   CT   _CG1    13     1.53098   112.55469  -162.25470
   14    13 S   HC   HG11    14     1.09449   110.87285   -54.87590
   15    13 S   HC   HG12    15     1.09636   110.00126    64.12261
   16    13 S   C    _CD1    16     1.51784   111.86601  -175.91064
   17    16 S   O    _OE1    17     1.22760   123.08379   -11.63649
   18    16 S   N    _N2_    18     1.38587   111.88408   168.94570
   19    18 S   H    _HN2    19     1.01587   119.18711     1.77905
   20    18 S   CT1  _CA2    20     1.46264   123.20355  -177.08462
   21    20 S   HC   _HA2    21     1.09723   109.40255    -7.53989
   22    20 S   C    _C2_    22     1.53389   108.74652  -123.45028
   23    22 S   O    _O2_    23     1.23030   122.14122  -147.31990
   24    20 S   CT   _CB2    32     1.53412   111.20304   114.20294
   25    24 S   HC   HB21    33     1.09436   109.42215    59.93507
   26    24 S   HC   HB22    34     1.09522   110.63244   177.90128
   27    22 S   N    _N3_    24     1.38477   113.48749    40.09898
   28    27 S   H    _HN3    25     1.01517   118.90475    -0.72712
   29    24 S   S    _SG2    35     1.83005   111.50405   -62.68295
   30    27 S   CT   _CA3    26     1.45457   123.53523   175.17485
   31    30 S   HC   HA31    27     1.09516   109.34737    22.28538
   32    30 S   HC   HA32    28     1.09498   107.09592   139.29772
   33    29 S   CT   _C10    36     1.83998   100.12473   145.63510
   34    33 S   HC   _H3_    37     1.09610   104.92328    52.97379
   35    30 S   CO3  _C3_    29     1.52913   113.02965  -101.27354
   36    35 S   O2Z  _O31    30     1.26407   115.36379   -45.47515
   37    35 S   O2Z  _O32    31     1.26349   115.00976   135.44032
   38    33 S   CA   _C9_    38     1.52186   113.08608   -66.10607
   39    33 S   CM   _C11    51     1.51267   108.50005   170.47059
   40    39 S   HC   _H12    52     1.09116   115.64203    52.71760
   41    38 S   CA   _C4_    39     1.40596   119.09288   126.47814
   42    41 S   HA   _H9_    40     1.08787   120.21234    -0.85386
   43    39 S   CMA  _C12    53     1.35485   126.71451  -129.91446
   44    43 S   OM   _O33    54     1.26661   126.69493     3.42200
   45    41 S   CA   _C5_    41     1.39614   120.97223   178.86254
   46    45 S   HA   _H10    42     1.08604   119.33893   179.95577
   47    43 S   OS1  _O34    55     1.41850   110.72955  -178.01880
   48    45 S   CA   _C6_    43     1.39203   119.65101    -0.40105
   49    47 S   CO1  _C13    56     1.44358   111.36041   103.83530
   50    49 S   HC   _H4_    57     1.09910   109.30437    52.75791
   51    48 S   CA   _C7_    44     1.39206   120.18516    -0.08393
   52    48 S   OH   _O41    49     1.36734   120.42753  -179.75134
   53    52 S   HO   _H20    50     0.97197   108.66029     0.26170
   54    49 S   CT   _C14    58     1.53462   107.21431   171.60462
   55    54 S   HC   _H5_    59     1.09680   109.98417    53.00312
   56    38 S   CA   _C8_    45     1.40644   122.30623   -55.55698
   57    56 S   HA   _H11    46     1.08734   120.10061     0.76310
   58    51 S   OH   _O40    47     1.36708   119.03400  -179.45213
   59    58 S   HO   _H19    48     0.97613   109.29718  -178.62044
   60    54 S   CT   _C15    60     1.53160   111.13093   174.84482
   61    60 S   HC   _H6_    61     1.09670   110.17488    73.78777
   62    54 S   OH5  _O39    76     1.42942   110.29251   -63.90972
   63    62 S   HO   _H18    77     0.97241   108.12806   -53.95521
   64    60 S   CT   _C16    62     1.53261   111.52294   -48.98054
   65    64 S   HC   _H7_    63     1.09704   109.04938   -71.65086
   66    60 S   OH5  _O38    74     1.43002   109.63684  -170.38996
   67    66 S   HO   _H17    75     0.97239   108.05793    59.96470
   68    64 S   CT   _C17    64     1.53161   110.68866    49.61653
   69    68 S   HC   _H8_    65     1.09828   110.98538    64.30503
   70    64 S   OH5  _O37    72     1.42626   109.65493   171.52666
   71    70 S   HO   _H16    73     0.97257   108.11509   -58.71677
   72    49 S   OS1  _O35    66     1.43192   111.07683   -68.95692
   73    68 S   CT   _C18    67     1.53003   111.73462  -174.61861
   74    73 S   HC   _H13    68     1.09518   110.94176    70.69007
   75    73 S   HC   _H14    69     1.09378   111.70388   -51.80559
   76    73 S   OH5  _O36    70     1.42496   108.95615  -170.67646
   77    76 S   HO   _H15    71     0.97260   107.17433  -172.09865
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3   8   7
  13   6   6   3   1  12   7   3   1   1   1  13   7   4   1  12
   7   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    56    57    39    40    43    44    47  
   38    41    56    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    56    57    58    39    40    43  
   40    43    44    47    49    41    56  
   43    44    47  
   42    45    46    48    51    56    57    52  
   45    46    48    56  
   44    47    49    50    54    72  
   47    49  
   46    48    51    56    58    52    53  
   48    51    52  
   49    50    54    55    60    68    72    62  
   51    56    57    58    59    52    53  
   50    54    55    60    61    64    68    69    72    73    66    62    63  
   54    55    60    68    72    62  
   56    57    58    59    52    53  
   53    56    58  
    0  
   55    60    61    64    65    68    72    70    66    67    62    63  
   60    61    64    72    66    62    63  
   57    58    59  
   58  
   59  
    0  
   61    64    65    68    69    72    73    70    71    66    67    62    63  
   64    65    68    70    66    67    62  
   63    64    66    72  
    0  
   65    68    69    72    73    74    75    76    70    71    66    67  
   68    69    72    73    70    71    66  
   67    68    70  
    0  
   69    72    73    74    75    76    77    70    71  
   72    73    74    75    76    70  
   71    72    73  
    0  
   73    74    75    76  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   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   2.9000   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   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    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   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    56   469.000  1.400
   51    58   450.000  1.364
   56    57   367.000  1.080
   58    59   553.000  0.945
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   370.000  1.399
   49    50   360.000  1.097
   49    54   255.000  1.525
   49    72   370.000  1.399
   54    55   340.000  1.090
   54    60   268.000  1.529
   54    62   355.000  1.421
   60    61   340.000  1.090
   60    64   268.000  1.529
   60    66   355.000  1.421
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    70   355.000  1.421
   68    69   340.000  1.090
   68    72   335.000  1.422
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   355.000  1.421
   76    77   580.000  0.967
   70    71   580.000  0.967
   66    67   580.000  0.967
   62    63   580.000  0.967
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    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    51    63.00000  120.00000
   38    56    57    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    56    63.00000  120.00000
   48    51    58    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    56    57    35.00000  120.00000
   51    58    59    35.00000  113.00000
   56    38    41    63.00000  120.00000
   58    51    56    70.00000  120.00000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    60.00000  105.75400
   47    49    54    90.00000  109.70700
   47    49    72   110.00000  113.16000
   49    54    55    45.00000  109.54000
   49    54    60    70.00000  111.10000
   49    54    62    90.00000  109.42000
   49    72    68    90.00000  112.10700
   54    49    50    45.00000  111.65000
   54    60    61    37.50000  110.70000
   54    60    64    58.35000  112.70000
   54    60    66    90.00000  111.45300
   54    62    63    65.00000  108.53500
   60    54    55    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    68    58.35000  112.70000
   60    64    70    90.00000  111.45300
   60    66    67    65.00000  108.53500
   64    60    61    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    95.00000  107.88500
   64    68    73    58.35000  112.70000
   64    70    71    65.00000  108.53500
   68    64    65    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    90.00000  111.45300
   72    49    50    60.00000  105.75400
   72    49    54    90.00000  109.70700
   72    68    69    55.00000  108.98800
   73    68    69    37.50000  110.70000
   73    68    72    95.00000  107.88500
   73    76    77    65.00000  108.53500
   75    73    74    33.00000  107.80000
   76    73    74    60.00000  109.39000
   76    73    75    60.00000  109.39000
   70    64    65    60.00000  109.39000
   70    64    68    90.00000  111.45300
   66    60    61    60.00000  109.39000
   66    60    64    90.00000  111.45300
   62    54    55    60.00000  109.39000
   62    54    60    90.00000  111.45300
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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    51   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    56    51   3.62500 -1.0 2.0
   41    38    56    57   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    56   3.62500 -1.0 2.0
   45    48    51    58   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -56    38   3.62500 -1.0 2.0
   48    51    56    57   3.62500 -1.0 2.0
   48    51    58    59   0.84100 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   56    38    41    42   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    51    58    59   0.84100 -1.0 2.0
   58    51    56    38   3.62500 -1.0 2.0
   58    51    56    57   3.62500 -1.0 2.0
   52    48    51    56   3.62500 -1.0 2.0
   52    48    51    58   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    56   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.46850  1.0 1.0
   43    47    49    54   0.09300 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    72  -0.48150  1.0 1.0
   43    47    49    72   0.09250 -1.0 2.0
   43    47    49    72  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.23400  1.0 3.0
   47    49    54    60   0.62750  1.0 1.0
   47    49    54    60  -0.30950 -1.0 2.0
   47    49    54    60   0.27300  1.0 3.0
   47    49    54    62   1.51850  1.0 1.0
   47    49    72    68  -0.70400  1.0 1.0
   47    49    72    68  -0.90350 -1.0 2.0
   49    54    60    61   0.15000  1.0 3.0
   49    54    60    64   0.56750  1.0 1.0
   49    54    60    64  -0.07550 -1.0 2.0
   49    54    60    64   0.20000  1.0 3.0
   49    54    60    66  -0.47750  1.0 1.0
   49    54    62    63   0.29150  1.0 1.0
   49    54    62    63  -0.28350 -1.0 2.0
   49    54    62    63   0.43600  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    60   0.15000  1.0 3.0
   50    49    54    62   0.23400  1.0 3.0
   50    49    72    68   0.37050  1.0 3.0
   54    49    72    68   0.06250  1.0 1.0
   54    49    72    68  -0.01100 -1.0 2.0
   54    49    72    68   0.28050  1.0 3.0
   54    60    64    65   0.15000  1.0 3.0
   54    60   -64    68   0.56750  1.0 1.0
   54    60   -64    68  -0.07550 -1.0 2.0
   54    60   -64    68   0.20000  1.0 3.0
   54    60    64    70  -0.47750  1.0 1.0
   54    60    66    67   0.29150  1.0 1.0
   54    60    66    67  -0.28350 -1.0 2.0
   54    60    66    67   0.43600  1.0 3.0
   55    54    60    61   0.15000  1.0 3.0
   55    54    60    64   0.15000  1.0 3.0
   55    54    60    66   0.23400  1.0 3.0
   55    54    62    63   0.19450  1.0 3.0
   60    54    62    63   0.29150  1.0 1.0
   60    54    62    63  -0.28350 -1.0 2.0
   60    54    62    63   0.43600  1.0 3.0
   60    64    68    69   0.15000  1.0 3.0
   60    64    68    72   0.62750  1.0 1.0
   60    64    68    72  -0.30950 -1.0 2.0
   60    64    68    72   0.27300  1.0 3.0
   60    64    68    73   0.56750  1.0 1.0
   60    64    68    73  -0.07550 -1.0 2.0
   60    64    68    73   0.20000  1.0 3.0
   60    64    70    71   0.29150  1.0 1.0
   60    64    70    71  -0.28350 -1.0 2.0
   60    64    70    71   0.43600  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    68   0.15000  1.0 3.0
   61    60    64    70   0.23400  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   64    60    66    67   0.29150  1.0 1.0
   64    60    66    67  -0.28350 -1.0 2.0
   64    60    66    67   0.43600  1.0 3.0
   64    68   -72    49   0.06250  1.0 1.0
   64    68   -72    49  -0.01100 -1.0 2.0
   64    68   -72    49   0.28050  1.0 3.0
   64    68    73    74   0.15000  1.0 3.0
   64    68    73    75   0.15000  1.0 3.0
   64    68    73    76  -0.47750  1.0 1.0
   65    64    68    69   0.15000  1.0 3.0
   65    64    68    72   0.23400  1.0 3.0
   65    64    68    73   0.15000  1.0 3.0
   65    64    70    71   0.19450  1.0 3.0
   68    64    70    71   0.29150  1.0 1.0
   68    64    70    71  -0.28350 -1.0 2.0
   68    64    70    71   0.43600  1.0 3.0
   68    73    76    77   0.29150  1.0 1.0
   68    73    76    77  -0.28350 -1.0 2.0
   68    73    76    77   0.43600  1.0 3.0
   69    68    72    49   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   72    49    54    55   0.23400  1.0 3.0
   72    49   -54    60   0.62750  1.0 1.0
   72    49   -54    60  -0.30950 -1.0 2.0
   72    49   -54    60   0.27300  1.0 3.0
   72    49    54    62   1.51850  1.0 1.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    76   1.51850  1.0 1.0
   73    68    72    49   0.06250  1.0 1.0
   73    68    72    49  -0.01100 -1.0 2.0
   73    68    72    49   0.28050  1.0 3.0
   74    73    76    77   0.19450  1.0 3.0
   75    73    76    77   0.19450  1.0 3.0
   70    64    68    69   0.23400  1.0 3.0
   70    64    68    72   1.51850  1.0 1.0
   70    64    68    73  -0.47750  1.0 1.0
   66    60    64    65   0.23400  1.0 3.0
   66    60    64    68  -0.47750  1.0 1.0
   66    60    64    70   3.77950  1.0 1.0
   62    54    60    61   0.23400  1.0 3.0
   62    54    60    64  -0.47750  1.0 1.0
   62    54    60    66   3.77950  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   41    56    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   56    58    51    48   4.00000 -1.0 2.0
   51    57    56    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
END
