* LIGAND DATABASE FILE (OPLS2005)
*
001      76    79    142    237     428
    1     0 S   NP   _N1_     1    29.08673    93.44696   -18.15908
    2     1 S   H    _HN1     2     1.02996   112.24775    63.24488
    3     1 S   H    _H1_     3     1.02831    24.64796   145.45850
    4     1 S   H    _H2_     4     1.02772    83.64601   -43.96582
    5     1 S   CT   _CA1     5     1.50147   126.10980  -156.99617
    6     5 S   HC   _HA1     6     1.09583   105.28992    36.74213
    7     5 S   CO3  _C1_     7     1.53747   112.37459   -83.29117
    8     7 S   O2Z  _O11     8     1.26285   114.99970   -43.39999
    9     7 S   O2Z  _O12     9     1.26244   114.94292   135.93357
   10     5 S   CT   _CB1    10     1.53094   107.33616   154.42469
   11    10 S   HC   HB11    11     1.09806   109.07447   -54.13883
   12    10 S   HC   HB12    12     1.09799   110.34872    62.04716
   13    10 S   CT   _CG1    13     1.53065   112.92903  -175.64895
   14    13 S   HC   HG11    14     1.09550   110.03138   -62.04085
   15    13 S   HC   HG12    15     1.09601   110.43508    56.94083
   16    13 S   C    _CD1    16     1.51834   111.72098   176.57103
   17    16 S   O    _OE1    17     1.22780   122.71257   -30.21196
   18    16 S   N    _N2_    18     1.38568   112.22568   151.19539
   19    18 S   H    _HN2    19     1.01576   119.15331     1.39030
   20    18 S   CT1  _CA2    20     1.46349   123.45953  -178.26066
   21    20 S   HC   _HA2    21     1.09740   109.28662   -19.61764
   22    20 S   C    _C2_    22     1.53409   107.97470  -135.23478
   23    22 S   O    _O2_    23     1.22993   122.37841  -144.25125
   24    20 S   CT   _CB2    32     1.53677   111.44524   102.73072
   25    24 S   HC   HB21    33     1.09315   109.30452    53.44643
   26    24 S   HC   HB22    34     1.09488   110.27127   172.00905
   27    22 S   N    _N3_    24     1.38548   113.21818    42.97796
   28    27 S   H    _HN3    25     1.01540   118.93304    -0.32626
   29    24 S   S    _SG2    35     1.82827   111.31876   -69.07298
   30    27 S   CT   _CA3    26     1.45442   123.37396   175.18855
   31    30 S   HC   HA31    27     1.09528   109.15153    25.91351
   32    30 S   HC   HA32    28     1.09493   107.13901   142.91191
   33    29 S   CT   _C5_    36     1.85975   102.70054   158.50609
   34    30 S   CO3  _C3_    29     1.52933   113.19179   -97.49927
   35    34 S   O2Z  _O31    30     1.26396   115.44716   -43.40500
   36    34 S   O2Z  _O32    31     1.26361   114.95163   137.54006
   37    33 S   CT   _C6_    37     1.54248   106.71754   171.91388
   38    37 S   HC   _H7_    38     1.09704   112.19777   -49.08061
   39    37 S   HC   _H8_    39     1.09772   110.83950  -167.72988
   40    33 S   CT   _C22    64     1.55489   113.13351   -67.57507
   41    40 S   HC   _H15    65     1.09975   107.87209   169.11210
   42    40 S   HC   _H16    66     1.09576   110.15674    54.26772
   43    33 S   CT   _C4_    73     1.53769   108.86723    54.86693
   44    43 S   HC   _H4_    74     1.09500   112.14031   -67.95939
   45    43 S   HC   _H5_    75     1.09672   110.68034   173.19456
   46    43 S   HC   _H6_    76     1.09621   111.81417    53.98826
   47    37 S   CO4  _C7_    40     1.51822   111.06376    73.75273
   48    47 S   O    _O33    41     1.22863   120.78457  -119.91113
   49    47 S   CT   _C8_    42     1.52795   114.56650    59.86563
   50    49 S   HC   _H3_    43     1.10000   106.33051    54.29941
   51    49 S   CA   _C9_    44     1.51945   116.79036   171.62823
   52    51 S   CA   _C10    45     1.40452   120.40609   -38.41647
   53    52 S   HA   _H9_    46     1.08962   119.14720    -0.67522
   54    51 S   CA   _C18    57     1.40388   121.52300   146.30341
   55    52 S   CA   _C11    47     1.40427   122.58198   179.32391
   56    54 S   CO4  _C19    58     1.49598   119.25243     4.87066
   57    56 S   O    _O34    59     1.22911   120.76329   173.94029
   58    55 S   CA   _C12    48     1.40588   119.48933  -178.29303
   59    58 S   HA   _H10    49     1.08880   120.43544    -0.39217
   60    56 S   CT   _C20    60     1.51140   119.16627    -2.07792
   61    60 S   HC   _H13    61     1.09608   107.79935    94.22579
   62    60 S   HC   _H14    62     1.09730   106.98621  -149.24311
   63    58 S   CA   _C13    50     1.39199   121.23773   179.26538
   64    63 S   HA   _H11    51     1.08603   120.08761  -179.84051
   65    49 S   CT   _C21    63     1.53979   106.09163   -62.17766
   66    63 S   CA   _C14    52     1.38668   119.69190     0.00000
   67    66 S   HA   _H12    53     1.08628   119.30493  -179.87805
   68    65 S   OH   _O35    67     1.43061   109.63221   -64.11495
   69    68 S   HO   _H17    68     0.97237   108.21868   176.62281
   70    66 S   CA   _C15    54     1.39831   119.67586     0.23239
   71    55 S   CA   _C16    55     1.41301   120.13998     1.41153
   72    70 S   OH   _O37    71     1.37285   117.90425   179.89532
   73    72 S   HO   _H19    72     0.97163   109.27568    -0.67609
   74    71 S   CA   _C17    56     1.42460   117.14071     1.49816
   75    74 S   OH   _O36    69     1.37543   117.20973   179.27936
   76    75 S   HO   _H18    70     0.97383   109.23737   169.20997
  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  13   5   4   3
  16   2   1   1  15   6   5  17   6   5   5   2   1   1   9   4
  14   6  13  11   4  12  10   9   5   8   4   6   3   2   6   3
   2   6   3   1   1   5   5   2   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    47    65    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    47    48    49    60    65    40    41    42    68    43    44    45    46  
   35    36  
   36  
    0  
   38    39    47    48    49    50    51    65    40    41    42    43    44    45    46  
   39    47    48    49    40    43  
   47    48    49    40    43  
   41    42    68    69    43    44    45    46    47    49    50    51    56    60    61    62    65  
   42    68    43    49    60    65  
   68    43    49    60    65  
   44    45    46    47    65  
   45    46  
   46  
    0  
   48    49    50    51    52    54    60    65    68  
   49    50    51    65  
   50    51    52    53    55    74    54    56    60    61    62    65    68    69  
   51    52    54    60    65    68  
   52    53    55    58    71    74    54    56    57    60    65    68    75  
   53    55    58    59    63    70    71    74    54    56    65  
   55    58    71    54  
   56    57    60    61    62    65    75    76    55    70    71    74  
   58    59    63    64    66    70    71    74    75    72  
   57    60    61    62    65    68    75    71    74  
   60    61    62    65    74  
   59    63    64    66    67    70    71    74  
   63    64    66    71  
   61    62    65    68    69    74  
   62    65    68  
   65    68  
   64    66    67    70    71    72  
   66    67    70  
   68    69  
   67    70    71    74    72    73  
   70    71    72  
   69  
    0  
   71    74    75    72    73  
   74    75    76    72    73  
   73    74  
    0  
   75    76  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.000000   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   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    47   317.000  1.522
   47    48   570.000  1.229
   47    49   317.000  1.522
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    65   268.000  1.529
   51    52   469.000  1.400
   51    54   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    58   469.000  1.400
   55    71   469.000  1.400
   58    59   367.000  1.080
   58    63   469.000  1.400
   63    64   367.000  1.080
   63    66   469.000  1.400
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    72   450.000  1.364
   71    74   469.000  1.400
   74    54   469.000  1.400
   74    75   450.000  1.364
   54    56   310.000  1.470
   56    57   570.000  1.229
   56    60   317.000  1.522
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    40   268.000  1.529
   65    68   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   68    69   553.000  0.945
   75    76   553.000  0.945
   72    73   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    47    63.00000  111.10000
   33    40    65    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    80.00000  120.40000
   37    47    49    70.00000  116.00000
   39    37    38    33.00000  107.80000
   47    37    38    35.00000  109.50000
   47    37    39    35.00000  109.50000
   47    49    50    35.00000  109.50000
   47    49    51    70.00000  110.93000
   47    49    65    63.00000  111.10000
   49    47    48    80.00000  120.40000
   49    51    52    70.00000  120.00000
   49    51    54    70.00000  120.00000
   49    65    60    58.35000  112.70000
   49    65    40    58.35000  112.70000
   49    65    68    50.00000  109.50000
   51    49    50    35.00000  109.50000
   51    52    53    35.00000  120.00000
   51    52    55    63.00000  120.00000
   51    54    74    63.00000  120.00000
   51    54    56    60.00000  119.52600
   52    55    58    63.00000  120.00000
   52    55    71    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    58    59    35.00000  120.00000
   55    58    63    63.00000  120.00000
   55    71    70    63.00000  120.00000
   55    71    74    63.00000  120.00000
   58    63    64    35.00000  120.00000
   58    63    66    63.00000  120.00000
   63    58    59    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   66    63    64    35.00000  120.00000
   66    70    71    63.00000  120.00000
   66    70    72    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    74    63.00000  120.00000
   70    72    73    35.00000  113.00000
   71    55    58    63.00000  120.00000
   71    74    54    63.00000  120.00000
   71    74    75    70.00000  120.00000
   74    54    56    60.00000  119.52600
   74    75    76    35.00000  113.00000
   54    51    52    63.00000  120.00000
   54    56    57    75.00000  123.78400
   54    56    60    65.00000  115.47100
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    65    63.00000  111.10000
   60    56    57    80.00000  120.40000
   60    65    40    58.35000  112.70000
   60    65    68    50.00000  109.50000
   62    60    61    33.00000  107.80000
   65    49    50    37.50000  110.70000
   65    49    51    70.00000  112.17500
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   65    40    41    37.50000  110.70000
   65    40    42    37.50000  110.70000
   65    68    69    55.00000  108.50000
   40    33    37    58.35000  112.70000
   42    40    41    33.00000  107.80000
   68    65    40    50.00000  109.50000
   75    74    54    70.00000  120.00000
   72    70    71    70.00000  120.00000
   43    33    37    58.35000  112.70000
   43    33    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    40    65   0.44750  1.0 1.0
   29    33    40    65  -0.17800 -1.0 2.0
   29    33    40    65   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   0.30150 -1.0 2.0
   33    37    47    49   0.60050  1.0 1.0
   33    37    47    49   0.05600 -1.0 2.0
   33    37    47    49   0.26150  1.0 3.0
   37    33    40    65   0.56750  1.0 1.0
   37    33    40    65  -0.07550 -1.0 2.0
   37    33    40    65   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50   0.00000  1.0 1.0
   37    47    49    51   0.65300  1.0 1.0
   37    47    49    51  -0.03850 -1.0 2.0
   37    47    49    51   0.33900  1.0 3.0
   37    47   -49    65   0.60050  1.0 1.0
   37    47   -49    65   0.05600 -1.0 2.0
   37    47   -49    65   0.26150  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   39    37    47    48   0.00000  1.0 1.0
   39    37    47    49   0.00000  1.0 1.0
   47    49    51    52   0.04300 -1.0 2.0
   47    49    51    54   0.04300 -1.0 2.0
   47    49    65    60  -0.95700  1.0 1.0
   47    49    65    60  -0.18200 -1.0 2.0
   47    49    65    60   0.29450  1.0 3.0
   47    49    65    40  -0.95700  1.0 1.0
   47    49    65    40  -0.18200 -1.0 2.0
   47    49    65    40   0.29450  1.0 3.0
   47    49    65    68  -0.09450  1.0 1.0
   47    49    65    68  -1.12950 -1.0 2.0
   47    49    65    68   0.54000  1.0 3.0
   48    47    49    50   0.00000  1.0 1.0
   48    47    49    51   0.30150 -1.0 2.0
   48    47    49    65   0.30150 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    55   3.62500 -1.0 2.0
   49    51    54    74   3.62500 -1.0 2.0
   49    51    54    56   3.62500 -1.0 2.0
   49    65   -40    33   0.56750  1.0 1.0
   49    65   -40    33  -0.07550 -1.0 2.0
   49    65   -40    33   0.20000  1.0 3.0
   49    65    40    41   0.15000  1.0 3.0
   49    65    40    42   0.15000  1.0 3.0
   49    65    68    69  -0.11600  1.0 1.0
   49    65    68    69  -0.09450 -1.0 2.0
   49    65    68    69   0.21250  1.0 3.0
   50    49    51    52   0.00000  1.0 1.0
   50    49    51    54   0.00000  1.0 1.0
   50    49    65    60   0.15000  1.0 3.0
   50    49    65    40   0.15000  1.0 3.0
   50    49    65    68   0.23400  1.0 3.0
   51    49    65    60  -0.03700  1.0 1.0
   51    49    65    60   0.37200 -1.0 2.0
   51    49    65    60  -0.47300  1.0 3.0
   51    49    65    40  -0.03700  1.0 1.0
   51    49    65    40   0.37200 -1.0 2.0
   51    49    65    40  -0.47300  1.0 3.0
   51    49    65    68   1.13150  1.0 1.0
   51    49    65    68  -1.01400 -1.0 2.0
   51    52    55    58   3.62500 -1.0 2.0
   51    52    55    71   3.62500 -1.0 2.0
   51    54    56    57   1.05000 -1.0 2.0
   51    54   -56    60   2.26350  1.0 1.0
   51    54   -56    60   0.76750 -1.0 2.0
   51    54   -56    60   0.22500  1.0 3.0
   52    51    54    74   3.62500 -1.0 2.0
   52    51    54    56   3.62500 -1.0 2.0
   52    55    58    59   3.62500 -1.0 2.0
   52    55    58    63   3.62500 -1.0 2.0
   52    55    71    70   3.62500 -1.0 2.0
   52    55   -71    74   3.62500 -1.0 2.0
   53    52    55    58   3.62500 -1.0 2.0
   53    52    55    71   3.62500 -1.0 2.0
   55    58    63    64   3.62500 -1.0 2.0
   55    58    63    66   3.62500 -1.0 2.0
   55    71    74    54   3.62500 -1.0 2.0
   55    71    74    75   3.62500 -1.0 2.0
   58    55    71    70   3.62500 -1.0 2.0
   58    55    71    74   3.62500 -1.0 2.0
   58    63    66    67   3.62500 -1.0 2.0
   58    63   -66    70   3.62500 -1.0 2.0
   59    58    63    64   3.62500 -1.0 2.0
   59    58    63    66   3.62500 -1.0 2.0
   63    66    70    71   3.62500 -1.0 2.0
   63    66    70    72   3.62500 -1.0 2.0
   64    63    66    67   3.62500 -1.0 2.0
   64    63    66    70   3.62500 -1.0 2.0
   66    70   -71    55   3.62500 -1.0 2.0
   66    70    71    74   3.62500 -1.0 2.0
   66    70    72    73   0.84100 -1.0 2.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    72   3.62500 -1.0 2.0
   70    71    74    54   3.62500 -1.0 2.0
   70    71    74    75   3.62500 -1.0 2.0
   71    55    58    59   3.62500 -1.0 2.0
   71    55   -58    63   3.62500 -1.0 2.0
   71    70    72    73   0.84100 -1.0 2.0
   71    74   -54    51   3.62500 -1.0 2.0
   71    74    54    56   3.62500 -1.0 2.0
   71    74    75    76   0.84100 -1.0 2.0
   74    54    56    57   1.05000 -1.0 2.0
   74    54    56    60   2.26350  1.0 1.0
   74    54    56    60   0.76750 -1.0 2.0
   74    54    56    60   0.22500  1.0 3.0
   54    51    52    53   3.62500 -1.0 2.0
   54    51   -52    55   3.62500 -1.0 2.0
   54    74    75    76   0.84100 -1.0 2.0
   54    56    60    61   0.00000  1.0 1.0
   54    56    60    62   0.00000  1.0 1.0
   54    56    60    65   0.05850 -1.0 2.0
   54    56    60    65   0.17250  1.0 3.0
   56    60   -65    49  -0.95700  1.0 1.0
   56    60   -65    49  -0.18200 -1.0 2.0
   56    60   -65    49   0.29450  1.0 3.0
   56    60    65    40  -0.95700  1.0 1.0
   56    60    65    40  -0.18200 -1.0 2.0
   56    60    65    40   0.29450  1.0 3.0
   56    60    65    68  -0.09450  1.0 1.0
   56    60    65    68  -1.12950 -1.0 2.0
   56    60    65    68   0.54000  1.0 3.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    65   0.30150 -1.0 2.0
   60    65    40    33   0.56750  1.0 1.0
   60    65    40    33  -0.07550 -1.0 2.0
   60    65    40    33   0.20000  1.0 3.0
   60    65    40    41   0.15000  1.0 3.0
   60    65    40    42   0.15000  1.0 3.0
   60    65    68    69  -0.11600  1.0 1.0
   60    65    68    69  -0.09450 -1.0 2.0
   60    65    68    69   0.21250  1.0 3.0
   61    60    65    49   0.15000  1.0 3.0
   61    60    65    40   0.15000  1.0 3.0
   61    60    65    68   0.23400  1.0 3.0
   62    60    65    49   0.15000  1.0 3.0
   62    60    65    40   0.15000  1.0 3.0
   62    60    65    68   0.23400  1.0 3.0
   65    49    51    52   0.04150 -1.0 2.0
   65    49   -51    54   0.04150 -1.0 2.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33   -37    47  -0.95700  1.0 1.0
   40    33   -37    47  -0.18200 -1.0 2.0
   40    33   -37    47   0.29450  1.0 3.0
   40    33    43    44   0.15000  1.0 3.0
   40    33    43    45   0.15000  1.0 3.0
   40    33    43    46   0.15000  1.0 3.0
   40    65    68    69  -0.11600  1.0 1.0
   40    65    68    69  -0.09450 -1.0 2.0
   40    65    68    69   0.21250  1.0 3.0
   68    65    40    33   0.86500  1.0 1.0
   68    65    40    33  -0.17500 -1.0 2.0
   68    65    40    33   0.20800  1.0 3.0
   68    65    40    41   0.23400  1.0 3.0
   68    65    40    42   0.23400  1.0 3.0
   75    74    54    51   3.62500 -1.0 2.0
   75    74    54    56   3.62500 -1.0 2.0
   72    70    71    55   3.62500 -1.0 2.0
   72    70    71    74   3.62500 -1.0 2.0
   43    33    37    38   0.15000  1.0 3.0
   43    33    37    39   0.15000  1.0 3.0
   43    33    37    47  -0.95700  1.0 1.0
   43    33    37    47  -0.18200 -1.0 2.0
   43    33    37    47   0.29450  1.0 3.0
   43    33    40    65   0.56750  1.0 1.0
   43    33    40    65  -0.07550 -1.0 2.0
   43    33    40    65   0.20000  1.0 3.0
   43    33    40    41   0.15000  1.0 3.0
   43    33    40    42   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    49    47    48  10.50000 -1.0 2.0
   52    54    51    49   4.00000 -1.0 2.0
   55    53    52    51   1.10000 -1.0 2.0
   58    71    55    52   4.00000 -1.0 2.0
   63    59    58    55   1.10000 -1.0 2.0
   66    64    63    58   1.10000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   71    72    70    66   4.00000 -1.0 2.0
   70    74    71    55   4.00000 -1.0 2.0
   54    75    74    71   4.00000 -1.0 2.0
   74    56    54    51   4.00000 -1.0 2.0
   54    60    56    57  10.50000 -1.0 2.0
END
