* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    137    210     402
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.80594    98.15691  -178.21469
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C11    37     1.49545   106.71931    79.98348
   38    37 S   HC   _H28    38     1.08808   118.47413   -64.21911
   39    33 S   OH   _O25    77     1.42718   110.80369   -36.14759
   40    39 S   HO   _H44    78     0.96911   106.43233   175.95136
   41    37 S   CM   _C10    39     1.33649   123.23567   115.61898
   42    41 S   HC   _H27    40     1.08825   117.92978  -179.28838
   43    41 S   CT   _C16    41     1.52916   124.39192     0.93670
   44    43 S   CA   _C5_    42     1.51239   106.46326   125.82247
   45    43 S   CMA  _C13    64     1.58278   113.25869     3.56700
   46    45 S   OM   _O19    65     1.26798   111.13769   175.92086
   47    43 S   CT   _C21    73     1.54687   106.39184  -118.94517
   48    47 S   HC   _H38    74     1.08252   108.86449    65.90266
   49    47 S   HC   _H39    75     1.08257   108.84823   -54.10099
   50    47 S   HC   _H40    76     1.08205   108.85777  -174.08646
   51    44 S   CA   _C7_    43     1.39504   119.98562   -60.07842
   52    33 S   CM   _C12    66     1.51300   109.60237  -156.29938
   53    51 S   CA   _C4_    44     1.39489   119.95573  -179.93147
   54    51 S   OH   _O22    62     1.36450   119.89861     0.03956
   55    54 S   HO   _H41    63     0.96876   110.10563  -179.97202
   56    52 S   CO4  _C15    67     1.48438   116.28170    68.01903
   57    56 S   O    _O21    68     1.22280   119.83844   -91.19277
   58    53 S   CA   _C8_    45     1.39477   120.05200    -0.00000
   59    53 S   CO4  _C14    56     1.45962   119.96924  -179.97202
   60    59 S   O    _O20    57     1.23082   124.75833   -59.74976
   61    56 S   CT   _C20    69     1.49852   117.37634    88.37180
   62    61 S   HC   _H35    70     1.09348   111.74391    90.03966
   63    61 S   HC   _H36    71     1.09251   109.07409   -30.12438
   64    61 S   HC   _H37    72     1.09360   108.93331  -150.36955
   65    58 S   CA   _C6_    46     1.39443   119.97439     0.03426
   66    58 S   OH   _O23    54     1.36457   120.13029   180.00000
   67    66 S   HO   _H42    55     0.96961   110.05708  -180.00000
   68    59 S   CT   _C19    58     1.49815   117.38205   119.97722
   69    68 S   HC   _H32    59     1.10246   114.01881    89.97422
   70    68 S   HC   _H33    60     1.10102   113.23001   -33.23438
   71    68 S   HC   _H34    61     1.10445   113.11062  -151.85081
   72    44 S   CA   _C9_    47     1.39521   119.99969   120.02432
   73    65 S   CT   _C18    50     1.49596   120.02509   179.96044
   74    73 S   HC   _H29    51     1.09540   110.13218    89.97049
   75    73 S   HC   _H30    52     1.09630   111.13465  -149.49901
   76    73 S   HC   _H31    53     1.09671   111.05409   -30.46753
   77    72 S   OH   _O24    48     1.36367   120.00089    -0.05595
   78    77 S   HO   _H43    49     0.96987   110.12687  -180.00000
  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   9   5   4   3
  13   2   1   1  11   5   5   1  12   4  15  18  11   3   6   2
   1   1  11   6  14   4   1   5   4  12   7   4   3   2   1   1
   9   3   1   3   2   1   1   6   4   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    45    52    56    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    43    45    46    52    56    57    61    39    40  
   35    36  
   36  
    0  
   38    41    42    43    44    45    52    56    47    39    40  
   41    42    43    52    39  
   40    41    45    52    56  
   52  
   42    43    44    51    72    45    46    52    47    48    49    50  
   43    44    45    47  
   44    51    53    65    72    77    54    45    46    52    56    47    48    49    50  
   51    53    58    65    72    77    78    73    59    54    55    45    46    52    47    48    49    50  
   46    52    56    57    61    47    48    49    50    51    72  
   52    56    47  
   48    49    50    51    52    72  
   49    50  
   50  
    0  
   53    58    65    72    77    66    59    60    68    54    55  
   56    57    61    62    63    64  
   58    65    72    73    66    67    59    60    68    69    70    71    54    55  
   55    58    59    72  
    0  
   57    61    62    63    64  
   61    62    63    64  
   65    72    77    73    74    75    76    66    67    59    60    68  
   60    68    69    70    71    65    66  
   68    69    70    71  
   62    63    64  
   63    64  
   64  
    0  
   72    77    78    73    74    75    76    66    67  
   67    72    73  
    0  
   69    70    71  
   70    71  
   71  
    0  
   77    78    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   78  
    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   0.432500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.470000   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   317.000  1.510
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    42   340.000  1.080
   41    43   317.000  1.510
   43    44   317.000  1.510
   43    45   270.000  1.512
   43    47   268.000  1.529
   44    51   469.000  1.400
   44    72   469.000  1.400
   51    53   469.000  1.400
   51    54   450.000  1.364
   53    58   469.000  1.400
   53    59   310.000  1.470
   58    65   469.000  1.400
   58    66   450.000  1.364
   65    72   469.000  1.400
   65    73   317.000  1.510
   72    77   450.000  1.364
   77    78   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   59    60   570.000  1.229
   59    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   54    55   553.000  0.945
   45    46   745.000  1.250
   45    52   465.000  1.376
   52    56   320.000  1.462
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   39    40   553.000  0.945
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  112.20000
   29    33    52    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    52    45    70.00000  124.00000
   33    52    56    65.00000  116.34900
   33    39    40    55.00000  108.50000
   37    41    42    35.00000  120.00000
   37    41    43    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    43    44    70.00000  112.99600
   41    43    45    70.00000  110.12100
   41    43    47    70.00000  112.02700
   43    41    42    35.00000  117.00000
   43    44    51    70.00000  120.00000
   43    44    72    70.00000  120.00000
   43    45    46    85.00000  112.85300
   43    45    52    65.00000  122.18000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    53    63.00000  120.00000
   44    51    54    70.00000  120.00000
   44    72    65    63.00000  120.00000
   44    72    77    70.00000  120.00000
   51    53    58    63.00000  120.00000
   51    53    59    60.00000  119.52600
   51    54    55    35.00000  113.00000
   53    58    65    63.00000  120.00000
   53    58    66    70.00000  120.00000
   53    59    60    75.00000  123.78400
   53    59    68    65.00000  115.47100
   58    65    72    63.00000  120.00000
   58    65    73    70.00000  120.00000
   58    66    67    35.00000  113.00000
   65    72    77    70.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   72    44    51    63.00000  120.00000
   72    77    78    35.00000  113.00000
   73    65    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    58    65    70.00000  120.00000
   59    53    58    60.00000  119.52600
   59    68    69    35.00000  109.50000
   59    68    70    35.00000  109.50000
   59    68    71    35.00000  109.50000
   68    59    60    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   54    51    53    70.00000  120.00000
   45    43    44    70.00000  112.99600
   45    52    56    60.00000  125.92000
   52    33    37    70.00000  110.12100
   52    45    46    65.00000  137.10300
   52    56    57    80.00000  123.72100
   52    56    61    65.00000  118.62400
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   61    56    57    80.00000  120.40000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   47    43    44    70.00000  112.17500
   47    43    45    70.00000  112.02700
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   39    33    37    90.00000  110.39200
   39    33    52    90.00000  110.39200
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    52  -0.62250  1.0 1.0
   24    29    33    52  -0.38450 -1.0 2.0
   24    29    33    52   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    52    45   0.42700  1.0 1.0
   29    33    52    45  -0.70350 -1.0 2.0
   29    33    52    45  -0.43150  1.0 3.0
   29    33    52    56   0.09700  1.0 1.0
   29    33    52    56   0.15600 -1.0 2.0
   29    33    52    56  -0.50800  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    52    56    57  -0.64400  1.0 1.0
   33    52    56    57   0.26850 -1.0 2.0
   33    52    56    61   0.25700  1.0 1.0
   33    52    56    61   0.66200 -1.0 2.0
   33    52    56    61   0.04450  1.0 3.0
   37    33    52    45  -0.28300  1.0 1.0
   37    33    52    45   0.26700 -1.0 2.0
   37    33    52    45  -0.63300  1.0 3.0
   37    33    52    56   0.09700  1.0 1.0
   37    33    52    56   0.15600 -1.0 2.0
   37    33    52    56  -0.50800  1.0 3.0
   37    33    39    40  -0.07800  1.0 1.0
   37    33    39    40  -0.21500 -1.0 2.0
   37    33    39    40  -0.03150  1.0 3.0
   37    41    43    44   1.44450  1.0 1.0
   37    41    43    44   0.06600 -1.0 2.0
   37    41    43    44   0.29250  1.0 3.0
   37    41   -43    45  -0.28300  1.0 1.0
   37    41   -43    45   0.26700 -1.0 2.0
   37    41   -43    45  -0.63300  1.0 3.0
   37    41    43    47   0.09850  1.0 1.0
   37    41    43    47   0.15250 -1.0 2.0
   37    41    43    47  -0.50650  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    43   7.00000 -1.0 2.0
   41    43    44    51   0.18050 -1.0 2.0
   41    43    44    72   0.18050 -1.0 2.0
   41    43    45    46   0.09700  1.0 1.0
   41    43    45    46   0.15600 -1.0 2.0
   41    43    45    46  -0.50800  1.0 3.0
   41    43    45    52  -0.28300  1.0 1.0
   41    43    45    52   0.26700 -1.0 2.0
   41    43    45    52  -0.63300  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    49   0.15000  1.0 3.0
   41    43    47    50   0.15000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    47   0.00000  1.0 1.0
   43    44    51    53   3.62500 -1.0 2.0
   43    44    51    54   3.62500 -1.0 2.0
   43    44    72    65   3.62500 -1.0 2.0
   43    44    72    77   3.62500 -1.0 2.0
   43    45   -52    33   7.00000 -1.0 2.0
   43    45    52    56   7.00000 -1.0 2.0
   44    43    45    46   0.09700  1.0 1.0
   44    43    45    46   0.15600 -1.0 2.0
   44    43    45    46  -0.50800  1.0 3.0
   44    43    45    52   1.44450  1.0 1.0
   44    43    45    52   0.06600 -1.0 2.0
   44    43    45    52   0.29250  1.0 3.0
   44    43    47    48   0.43200  1.0 3.0
   44    43    47    49   0.43200  1.0 3.0
   44    43    47    50   0.43200  1.0 3.0
   44    51    53    58   3.62500 -1.0 2.0
   44    51    53    59   3.62500 -1.0 2.0
   44    51    54    55   0.84100 -1.0 2.0
   44    72    77    78   0.84100 -1.0 2.0
   51    44    72    65   3.62500 -1.0 2.0
   51    44    72    77   3.62500 -1.0 2.0
   51    53   -58    65   3.62500 -1.0 2.0
   51    53    58    66   3.62500 -1.0 2.0
   51    53    59    60   1.05000 -1.0 2.0
   51    53    59    68   2.26350  1.0 1.0
   51    53    59    68   0.76750 -1.0 2.0
   51    53    59    68   0.22500  1.0 3.0
   53    51    54    55   0.84100 -1.0 2.0
   53    58    65    72   3.62500 -1.0 2.0
   53    58    65    73   3.62500 -1.0 2.0
   53    58    66    67   0.84100 -1.0 2.0
   53    59    68    69   0.00000  1.0 1.0
   53    59    68    70   0.00000  1.0 1.0
   53    59    68    71   0.00000  1.0 1.0
   58    53    59    60   1.05000 -1.0 2.0
   58    53    59    68   2.26350  1.0 1.0
   58    53    59    68   0.76750 -1.0 2.0
   58    53    59    68   0.22500  1.0 3.0
   58    65   -72    44   3.62500 -1.0 2.0
   58    65    72    77   3.62500 -1.0 2.0
   58    65    73    74   0.00000  1.0 1.0
   58    65    73    75   0.00000  1.0 1.0
   58    65    73    76   0.00000  1.0 1.0
   65    58    66    67   0.84100 -1.0 2.0
   65    72    77    78   0.84100 -1.0 2.0
   72    44   -51    53   3.62500 -1.0 2.0
   72    44    51    54   3.62500 -1.0 2.0
   72    65    73    74   0.00000  1.0 1.0
   72    65    73    75   0.00000  1.0 1.0
   72    65    73    76   0.00000  1.0 1.0
   73    65    72    44   3.62500 -1.0 2.0
   73    65    72    77   3.62500 -1.0 2.0
   66    58    65    72   3.62500 -1.0 2.0
   66    58    65    73   3.62500 -1.0 2.0
   59    53    58    65   3.62500 -1.0 2.0
   59    53    58    66   3.62500 -1.0 2.0
   60    59    68    69   0.00000  1.0 1.0
   60    59    68    70   0.00000  1.0 1.0
   60    59    68    71   0.00000  1.0 1.0
   54    51    53    58   3.62500 -1.0 2.0
   54    51    53    59   3.62500 -1.0 2.0
   45    43    44    51   0.18050 -1.0 2.0
   45    43    44    72   0.18050 -1.0 2.0
   45    43    47    48   0.15000  1.0 3.0
   45    43    47    49   0.15000  1.0 3.0
   45    43    47    50   0.15000  1.0 3.0
   45    52    56    57   1.00000 -1.0 2.0
   45    52    56    61  -0.33500  1.0 1.0
   45    52    56    61   1.06600 -1.0 2.0
   45    52    56    61  -0.14000  1.0 3.0
   46    45    52    33   7.00000 -1.0 2.0
   46    45    52    56   7.00000 -1.0 2.0
   52    33    37    38   0.00000  1.0 1.0
   52    33   -37    41  -0.28300  1.0 1.0
   52    33   -37    41   0.26700 -1.0 2.0
   52    33   -37    41  -0.63300  1.0 3.0
   52    33    39    40  -0.07800  1.0 1.0
   52    33    39    40  -0.21500 -1.0 2.0
   52    33    39    40  -0.03150  1.0 3.0
   52    56    61    62   0.00000  1.0 1.0
   52    56    61    63   0.00000  1.0 1.0
   52    56    61    64   0.00000  1.0 1.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    64   0.00000  1.0 1.0
   47    43    44    51   0.04150 -1.0 2.0
   47    43    44    72   0.04150 -1.0 2.0
   47    43    45    46   0.09700  1.0 1.0
   47    43    45    46   0.15600 -1.0 2.0
   47    43    45    46  -0.50800  1.0 3.0
   47    43    45    52   0.09850  1.0 1.0
   47    43    45    52   0.15250 -1.0 2.0
   47    43    45    52  -0.50650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    52    45   0.67800  1.0 1.0
   39    33    52    45   0.47050 -1.0 2.0
   39    33    52    45  -0.62500  1.0 3.0
   39    33    52    56   0.09700  1.0 1.0
   39    33    52    56   0.15600 -1.0 2.0
   39    33    52    56  -0.50800  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   43    42    41    37   1.10000 -1.0 2.0
   51    72    44    43   4.00000 -1.0 2.0
   53    54    51    44   4.00000 -1.0 2.0
   58    59    53    51   4.00000 -1.0 2.0
   65    66    58    53   4.00000 -1.0 2.0
   72    73    65    58   4.00000 -1.0 2.0
   65    77    72    44   4.00000 -1.0 2.0
   53    68    59    60  10.50000 -1.0 2.0
   43    46    45    52   1.10000 -1.0 2.0
   33    56    52    45   1.10000 -1.0 2.0
   52    61    56    57  10.50000 -1.0 2.0
END
