* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    138    223     404
    1     0 S   NP   _N1_     1    28.60907    96.72971   -21.16418
    2     1 S   H    _HN1     2     1.02950    76.09216    19.51953
    3     1 S   H    _H1_     3     1.02831    42.67448   155.23499
    4     1 S   H    _H2_     4     1.02783    91.06013   -89.12370
    5     1 S   CT   _CA1     5     1.50147   150.96911   126.61681
    6     5 S   HC   _HA1     6     1.09579   105.16186    79.64328
    7     5 S   CO3  _C1_     7     1.53764   112.25878   -40.42022
    8     7 S   O2Z  _O11     8     1.26362   115.03030   -45.56767
    9     7 S   O2Z  _O12     9     1.26228   114.92318   133.22719
   10     5 S   CT   _CB1    10     1.53064   107.36001  -162.57019
   11    10 S   HC   HB11    11     1.09829   109.26600   -50.21403
   12    10 S   HC   HB12    12     1.09814   110.49494    66.35703
   13    10 S   CT   _CG1    13     1.52983   112.66441  -171.25221
   14    13 S   HC   HG11    14     1.09499   110.41892   -65.85947
   15    13 S   HC   HG12    15     1.09662   109.93559    53.32355
   16    13 S   C    _CD1    16     1.51841   112.24110   173.61577
   17    16 S   O    _OE1    17     1.22742   123.24887     1.88201
   18    16 S   N    _N2_    18     1.38643   111.73810  -177.79584
   19    18 S   H    _HN2    19     1.01594   118.93924     0.91941
   20    18 S   CT1  _CA2    20     1.46331   123.36821   177.97329
   21    20 S   HC   _HA2    21     1.09734   109.38635    -1.89837
   22    20 S   C    _C2_    22     1.53451   108.59734  -117.39826
   23    22 S   O    _O2_    23     1.23049   122.30756  -148.55280
   24    20 S   CT   _CB2    32     1.53300   111.39485   120.15341
   25    24 S   HC   HB21    33     1.09379   109.58090    57.32650
   26    24 S   HC   HB22    34     1.09512   110.76290   175.57521
   27    22 S   N    _N3_    24     1.38343   113.61815    38.97532
   28    27 S   H    _HN3    25     1.01613   119.51900    -3.61844
   29    24 S   S    _SG2    35     1.82712   111.04969   -65.34567
   30    27 S   CT   _CA3    26     1.45285   123.17690   176.98916
   31    30 S   HC   HA31    27     1.09550   107.54076   -63.68399
   32    30 S   HC   HA32    28     1.09557   107.93853    52.73355
   33    29 S   CT   _C23    36     1.82849   100.34424   147.93606
   34    33 S   HC   _H3_    37     1.09595   109.17557    46.08996
   35    30 S   CO3  _C3_    29     1.52946   114.11160   174.71632
   36    35 S   O2Z  _O31    30     1.26371   116.06023    -0.34830
   37    35 S   O2Z  _O32    31     1.26429   114.41288   179.70392
   38    33 S   CM   _C18    38     1.51164   110.80073   168.22485
   39    33 S   CO4  _C22    70     1.51000   109.15392   -71.60659
   40    39 S   O    _O26    71     1.22729   122.92442    98.50999
   41    38 S   CA   _C11    39     1.49668   113.67642   -93.20812
   42    38 S   CMA  _C19    60     1.36654   126.08188    91.02924
   43    42 S   OM   _O23    61     1.26981   127.25854   177.27150
   44    41 S   CA   _C13    40     1.41301   120.34715   -82.68252
   45    42 S   CA   _C7_    62     1.51902   113.38418    -1.79951
   46    44 S   CA   _C5_    41     1.40313   119.21223   179.71745
   47    46 S   HA   _H31    42     1.08854   119.09806  -179.43179
   48    44 S   CT   _C25    56     1.50646   122.23714     0.28939
   49    48 S   HC   _H39    57     1.09425   110.91061   -53.00331
   50    48 S   HC   _H40    58     1.09402   110.43790    68.73891
   51    48 S   HC   _H41    59     1.09551   111.41800  -171.82680
   52    45 S   CA   _C4_    63     1.41214   120.84483  -160.72295
   53    52 S   HA   _H30    64     1.08929   120.02205     3.67674
   54    46 S   CA   _C8_    43     1.40025   120.99667     0.90179
   55    52 S   CA   _C12    65     1.40474   122.01319  -176.39353
   56    54 S   CA   _C9_    44     1.39712   120.35100    -0.12667
   57    55 S   CA   _C6_    66     1.39548   119.26260    -0.42382
   58    57 S   HA   _H32    67     1.08739   120.22968  -179.22772
   59    55 S   CT   _C24    74     1.49952   120.11803  -178.17630
   60    59 S   HC   _H36    75     1.09434   109.98481    79.49828
   61    59 S   HC   _H37    76     1.09508   111.23759  -160.14761
   62    59 S   HC   _H38    77     1.09504   110.62592   -41.02287
   63    41 S   CA   _C15    45     1.41256   120.35999    98.29289
   64    56 S   CO4  _C21    48     1.48291   119.29089   179.85196
   65    64 S   O    _O25    49     1.22539   121.95625   179.72164
   66    57 S   CA   _C14    68     1.39146   119.98467     0.19782
   67    63 S   OH   _O28    46     1.37361   117.34679    -0.13270
   68    67 S   HO   _H43    47     0.97255   109.60200   177.95359
   69    64 S   CM   _C17    50     1.47599   118.26433    -0.23070
   70    69 S   HC   _H34    51     1.08456   117.18709  -179.79064
   71    45 S   CA   _C10    69     1.40482   122.05782    21.97779
   72    66 S   OH   _O27    72     1.36877   116.50933  -179.31329
   73    72 S   HO   _H42    73     0.97351   108.74243  -173.51366
   74    69 S   CM   _C16    52     1.33245   121.96803     0.26244
   75    74 S   HC   _H33    53     1.08432   121.03014   179.94405
   76    54 S   CO4  _C20    54     1.47815   118.55474   179.76510
   77    76 S   O    _O24    55     1.22499   121.93770     0.41918
  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
  12   6   2   1   1  14   9   3  16   9   3  11   8  12   4   5
   2   1   1  10   4  10   9  10   9   4   4   2   1   1   6   7
   3   3   1   1   5   3   2   1   1   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    42    71    39    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    63    42    43    45    66    71    39    40  
   38    41    42    71    39    40  
   36    37  
   37  
    0  
   41    44    46    56    63    67    48    42    43    45    52    71    39    40  
   40    72    41    42    45    52    57    66    71  
   45    66    71  
   44    46    47    54    56    63    67    68    64    48    49    50    51    42    43    45  
   43    45    52    53    55    66    71    44    63  
   45    52    71  
   46    47    54    56    63    67    76    48    49    50    51  
   52    53    55    57    66    71    72    59  
   47    54    56    63    64    74    76    77    48    49    50    51  
   54    56    76    48  
   49    50    51    54    63  
   50    51  
   51  
    0  
   53    55    57    58    66    71    59    60    61    62  
   55    57    71    59  
   56    63    67    64    65    69    74    75    76    77  
   57    58    66    71    72    59    60    61    62  
   63    67    68    64    65    69    70    74    76    77  
   58    66    71    72    73    59    60    61    62  
   66    71    72    59  
   60    61    62    66  
   61    62  
   62  
    0  
   67    68    64    65    69    76  
   65    69    70    74    75    76    67  
   69    70    74  
   71    72    73  
   68  
    0  
   70    74    75    76    77  
   74    75    76  
   72    73  
   73  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   40   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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  1.522
   38    41   320.000  1.460
   38    42   465.000  1.376
   41    44   469.000  1.400
   41    63   469.000  1.400
   44    46   469.000  1.400
   44    48   317.000  1.510
   46    47   367.000  1.080
   46    54   469.000  1.400
   54    56   469.000  1.400
   54    76   310.000  1.470
   56    63   469.000  1.400
   56    64   310.000  1.470
   63    67   450.000  1.364
   67    68   553.000  0.945
   64    65   570.000  1.229
   64    69   320.000  1.462
   69    70   340.000  1.080
   69    74   549.000  1.340
   74    75   340.000  1.080
   74    76   320.000  1.462
   76    77   570.000  1.229
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   42    43   745.000  1.250
   42    45   320.000  1.460
   45    52   469.000  1.400
   45    71   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    57   469.000  1.400
   55    59   317.000  1.510
   57    58   367.000  1.080
   57    66   469.000  1.400
   66    71   469.000  1.400
   66    72   450.000  1.364
   71    39   310.000  1.470
   39    40   570.000  1.229
   72    73   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
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  112.20000
   29    33    39    75.00000  110.18000
   33    38    41    60.00000  124.00000
   33    38    42    70.00000  124.00000
   33    39    71    65.00000  115.47100
   33    39    40    80.00000  120.40000
   38    33    34    35.00000  109.50000
   38    41    44    60.00000  118.70000
   38    41    63    60.00000  118.70000
   38    42    43    65.00000  137.10300
   38    42    45    60.00000  123.20500
   41    44    46    63.00000  120.00000
   41    44    48    70.00000  120.00000
   41    63    56    63.00000  120.00000
   41    63    67    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    54    63.00000  120.00000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    51    35.00000  109.50000
   46    54    56    63.00000  120.00000
   46    54    76    60.00000  119.52600
   54    46    47    35.00000  120.00000
   54    56    63    63.00000  120.00000
   54    56    64    60.00000  119.52600
   54    76    74    65.00000  117.02400
   54    76    77    75.00000  123.78400
   56    63    67    70.00000  120.00000
   56    64    65    75.00000  123.78400
   56    64    69    65.00000  117.02400
   63    41    44    63.00000  120.00000
   63    67    68    35.00000  113.00000
   64    56    63    60.00000  119.52600
   64    69    70    40.00000  117.72500
   64    69    74    65.00000  118.96000
   69    64    65    80.00000  123.72100
   69    74    75    35.00000  120.00000
   69    74    76    65.00000  118.96000
   74    69    70    35.00000  120.00000
   74    76    77    80.00000  123.72100
   76    54    56    60.00000  119.52600
   76    74    75    40.00000  117.72500
   48    44    46    70.00000  120.00000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   42    38    41    60.00000  123.66000
   42    45    52    60.00000  120.93500
   42    45    71    60.00000  120.93500
   45    42    43    85.00000  114.86500
   45    52    53    35.00000  120.00000
   45    52    55    63.00000  120.00000
   45    71    66    63.00000  120.00000
   45    71    39    60.00000  119.52600
   52    55    57    63.00000  120.00000
   52    55    59    70.00000  120.00000
   55    52    53    35.00000  120.00000
   55    57    58    35.00000  120.00000
   55    57    66    63.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   57    66    71    63.00000  120.00000
   57    66    72    70.00000  120.00000
   66    57    58    35.00000  120.00000
   66    71    39    60.00000  119.52600
   66    72    73    35.00000  113.00000
   71    45    52    63.00000  120.00000
   71    39    40    75.00000  123.78400
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  109.06800
   72    66    71    70.00000  120.00000
   59    55    57    70.00000  120.00000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    71   0.65300  1.0 1.0
   29    33    39    71  -0.03850 -1.0 2.0
   29    33    39    71   0.33900  1.0 3.0
   29    33    39    40   0.30150 -1.0 2.0
   33    38    41    44  -0.02500  1.0 1.0
   33    38    41    44  -0.32150 -1.0 2.0
   33    38    41    44  -0.01500  1.0 3.0
   33    38    41    63  -0.02500  1.0 1.0
   33    38    41    63  -0.32150 -1.0 2.0
   33    38    41    63  -0.01500  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    45   7.00000 -1.0 2.0
   34    33    38    41   0.77000  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    71   0.00000  1.0 1.0
   34    33    39    40   0.00000  1.0 1.0
   38    33    39    71   0.65300  1.0 1.0
   38    33    39    71  -0.03850 -1.0 2.0
   38    33    39    71   0.33900  1.0 3.0
   38    33    39    40   0.30150 -1.0 2.0
   38    41    44    46   3.62500 -1.0 2.0
   38    41    44    48   3.62500 -1.0 2.0
   38    41    63    56   3.62500 -1.0 2.0
   38    41    63    67   3.62500 -1.0 2.0
   38    42    45    52   0.15800  1.0 1.0
   38    42    45    52   1.85350 -1.0 2.0
   38    42    45    52  -0.48700  1.0 3.0
   38    42   -45    71   0.15800  1.0 1.0
   38    42   -45    71   1.85350 -1.0 2.0
   38    42   -45    71  -0.48700  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    45   7.00000 -1.0 2.0
   41    44    46    47   3.62500 -1.0 2.0
   41    44    46    54   3.62500 -1.0 2.0
   41    44    48    49   0.00000  1.0 1.0
   41    44    48    50   0.00000  1.0 1.0
   41    44    48    51   0.00000  1.0 1.0
   41    63    67    68   0.84100 -1.0 2.0
   44    41    63    56   3.62500 -1.0 2.0
   44    41    63    67   3.62500 -1.0 2.0
   44    46   -54    56   3.62500 -1.0 2.0
   44    46    54    76   3.62500 -1.0 2.0
   46    44    48    49   0.00000  1.0 1.0
   46    44    48    50   0.00000  1.0 1.0
   46    44    48    51   0.00000  1.0 1.0
   46    54    56    63   3.62500 -1.0 2.0
   46    54    56    64   3.62500 -1.0 2.0
   46    54    76    74  -0.11500  1.0 1.0
   46    54    76    74   1.10450 -1.0 2.0
   46    54    76    74  -0.48050  1.0 3.0
   46    54    76    77   1.05000 -1.0 2.0
   47    46    54    56   3.62500 -1.0 2.0
   47    46    54    76   3.62500 -1.0 2.0
   54    56   -63    41   3.62500 -1.0 2.0
   54    56    63    67   3.62500 -1.0 2.0
   54    56    64    65   1.05000 -1.0 2.0
   54    56    64    69  -0.11500  1.0 1.0
   54    56    64    69   1.10450 -1.0 2.0
   54    56    64    69  -0.48050  1.0 3.0
   56    54    76    74  -0.11500  1.0 1.0
   56    54    76    74   1.10450 -1.0 2.0
   56    54    76    74  -0.48050  1.0 3.0
   56    54    76    77   1.05000 -1.0 2.0
   56    63    67    68   0.84100 -1.0 2.0
   56    64    69    70   1.64500 -1.0 2.0
   56    64   -69    74  -1.65800  1.0 1.0
   56    64   -69    74   0.77650 -1.0 2.0
   63    41   -44    46   3.62500 -1.0 2.0
   63    41    44    48   3.62500 -1.0 2.0
   63    56    64    65   1.05000 -1.0 2.0
   63    56    64    69  -0.11500  1.0 1.0
   63    56    64    69   1.10450 -1.0 2.0
   63    56    64    69  -0.48050  1.0 3.0
   64    56    63    41   3.62500 -1.0 2.0
   64    56    63    67   3.62500 -1.0 2.0
   64    69    74    75   7.00000 -1.0 2.0
   64    69    74    76   7.00000 -1.0 2.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    74   1.00000 -1.0 2.0
   69    74   -76    54  -1.65800  1.0 1.0
   69    74   -76    54   0.77650 -1.0 2.0
   69    74    76    77   1.00000 -1.0 2.0
   70    69    74    75   7.00000 -1.0 2.0
   70    69    74    76   7.00000 -1.0 2.0
   75    74    76    54   1.64500 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   76    54    56    63   3.62500 -1.0 2.0
   76    54   -56    64   3.62500 -1.0 2.0
   48    44    46    47   3.62500 -1.0 2.0
   48    44    46    54   3.62500 -1.0 2.0
   42    38    41    44   0.15800  1.0 1.0
   42    38    41    44   1.85350 -1.0 2.0
   42    38    41    44  -0.48700  1.0 3.0
   42    38    41    63   0.15800  1.0 1.0
   42    38    41    63   1.85350 -1.0 2.0
   42    38    41    63  -0.48700  1.0 3.0
   42    45    52    53   3.62500 -1.0 2.0
   42    45    52    55   3.62500 -1.0 2.0
   42    45    71    66   3.62500 -1.0 2.0
   42    45    71    39   3.62500 -1.0 2.0
   43    42    45    52  -0.01750  1.0 1.0
   43    42    45    52  -0.32000 -1.0 2.0
   43    42    45    52   0.00600  1.0 3.0
   43    42    45    71  -0.01750  1.0 1.0
   43    42    45    71  -0.32000 -1.0 2.0
   43    42    45    71   0.00600  1.0 3.0
   45    52    55    57   3.62500 -1.0 2.0
   45    52    55    59   3.62500 -1.0 2.0
   45    71   -39    33   2.26350  1.0 1.0
   45    71   -39    33   0.76750 -1.0 2.0
   45    71   -39    33   0.22500  1.0 3.0
   45    71    39    40   1.05000 -1.0 2.0
   52    45    71    66   3.62500 -1.0 2.0
   52    45    71    39   3.62500 -1.0 2.0
   52    55    57    58   3.62500 -1.0 2.0
   52    55   -57    66   3.62500 -1.0 2.0
   52    55    59    60   0.00000  1.0 1.0
   52    55    59    61   0.00000  1.0 1.0
   52    55    59    62   0.00000  1.0 1.0
   53    52    55    57   3.62500 -1.0 2.0
   53    52    55    59   3.62500 -1.0 2.0
   55    57    66    71   3.62500 -1.0 2.0
   55    57    66    72   3.62500 -1.0 2.0
   57    55    59    60   0.00000  1.0 1.0
   57    55    59    61   0.00000  1.0 1.0
   57    55    59    62   0.00000  1.0 1.0
   57    66   -71    45   3.62500 -1.0 2.0
   57    66    71    39   3.62500 -1.0 2.0
   57    66    72    73   0.84100 -1.0 2.0
   58    57    66    71   3.62500 -1.0 2.0
   58    57    66    72   3.62500 -1.0 2.0
   66    71    39    33   2.26350  1.0 1.0
   66    71    39    33   0.76750 -1.0 2.0
   66    71    39    33   0.22500  1.0 3.0
   66    71    39    40   1.05000 -1.0 2.0
   71    45    52    53   3.62500 -1.0 2.0
   71    45   -52    55   3.62500 -1.0 2.0
   71    66    72    73   0.84100 -1.0 2.0
   39    33    38    41   0.09700  1.0 1.0
   39    33    38    41   0.15600 -1.0 2.0
   39    33    38    41  -0.50800  1.0 3.0
   39    33   -38    42  -0.51250  1.0 1.0
   39    33   -38    42  -0.88800 -1.0 2.0
   39    33   -38    42   0.08850  1.0 3.0
   72    66    71    45   3.62500 -1.0 2.0
   72    66    71    39   3.62500 -1.0 2.0
   59    55    57    58   3.62500 -1.0 2.0
   59    55    57    66   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
   33    41    38    42   1.10000 -1.0 2.0
   44    63    41    38   4.00000 -1.0 2.0
   46    48    44    41   4.00000 -1.0 2.0
   54    47    46    44   1.10000 -1.0 2.0
   56    76    54    46   4.00000 -1.0 2.0
   63    64    56    54   4.00000 -1.0 2.0
   56    67    63    41   4.00000 -1.0 2.0
   56    69    64    65  10.50000 -1.0 2.0
   64    70    69    74   1.10000 -1.0 2.0
   76    75    74    69   1.10000 -1.0 2.0
   54    74    76    77  10.50000 -1.0 2.0
   45    43    42    38   1.10000 -1.0 2.0
   52    71    45    42   4.00000 -1.0 2.0
   55    53    52    45   1.10000 -1.0 2.0
   57    59    55    52   4.00000 -1.0 2.0
   66    58    57    55   1.10000 -1.0 2.0
   71    72    66    57   4.00000 -1.0 2.0
   66    39    71    45   4.00000 -1.0 2.0
   33    71    39    40  10.50000 -1.0 2.0
END
