* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    146    240     430
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02056    93.87723    33.71807
    3     1 S   H    _H1_     3     1.02145    33.39287   152.49312
    4     1 S   H    _H2_     4     1.02167    86.38910   -74.79510
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C20    36     1.86629    96.66609   161.86231
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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     1.54305   105.40413    60.00918
   38    33 S   CO4  _C19    74     1.53972   105.57038   177.09701
   39    38 S   O    _O34    75     1.22684   124.53246    92.90104
   40    37 S   CA   _C8_    38     1.49213   115.51078   -94.54868
   41    37 S   CM   _C12    64     1.34982   123.02100    93.47624
   42    40 S   CA   _C7_    39     1.41099   117.02082   -37.91753
   43    41 S   CA   _C13    65     1.47296   120.56552    -3.70311
   44    41 S   OH   _O38    78     1.38321   121.91770   172.51038
   45    44 S   HO   _H18    79     0.96214   109.89416  -176.31034
   46    42 S   CA   _C6_    40     1.39883   119.98614  -178.00247
   47    46 S   HA   _H8_    41     1.08699   120.48275   178.58473
   48    42 S   CO   _C21    52     1.50925   116.61307     1.51142
   49    48 S   HC   _H3_    53     1.09892   109.04770   -77.18643
   50    43 S   CA   _C14    66     1.40587   122.18559  -163.30051
   51    50 S   HA   _H11    67     1.08745   120.86100     1.72079
   52    46 S   CA   _C5_    42     1.39438   119.98689    -2.05357
   53    33 S   NT   _N4_    54     1.46934   110.00909   -61.15951
   54    50 S   CA   _C15    68     1.39757   121.05528  -177.79584
   55    54 S   HA   _H12    69     1.08604   119.87653   179.60634
   56    52 S   CA   _C10    43     1.39330   120.21088     0.03426
   57    56 S   HA   _H9_    44     1.08695   119.98692  -178.59988
   58    52 S   CT   _C4_    48     1.49172   119.87615  -179.44292
   59    58 S   HC   _H5_    49     1.09732   110.36251    90.07395
   60    58 S   HC   _H6_    50     1.09751   111.29010  -149.49660
   61    58 S   HC   _H7_    51     1.09719   111.33805   -30.44744
   62    53 S   CT1  _C23    55     1.44563   127.66316   -79.55381
   63    62 S   HC   _H4_    56     1.09250   113.17714   -60.86184
   64    54 S   CA   _C16    70     1.39068   120.10625    -0.21306
   65    64 S   HA   _H13    71     1.08691   119.58742  -179.87805
   66    40 S   CA   _C9_    45     1.40073   123.62306   140.84518
   67    62 S   CO4  _C22    57     1.52259   101.29751  -172.43104
   68    67 S   O    _O36    58     1.22101   126.22616  -163.37105
   69    62 S   CT   _C24    60     1.51922   114.93220    68.34491
   70    69 S   HC   _H14    61     1.09211   110.19725    49.82977
   71    69 S   HC   _H15    62     1.09169   110.22693   -70.14216
   72    69 S   HC   _H16    63     1.09143   110.23955   169.82187
   73    64 S   CA   _C17    72     1.39162   119.82223    -0.74730
   74    66 S   OH   _O33    46     1.36380   122.10892    -4.31457
   75    74 S   HO   _H10    47     0.96824   110.13202  -176.84111
   76    48 S   OS   _O35    59     1.42511   112.86436   163.93559
   77    43 S   CA   _C18    73     1.40123   119.84168    17.40452
   78    73 S   OH   _O37    76     1.36388   117.11866  -178.00178
   79    78 S   HO   _H17    77     0.97029   110.10998  -179.96574
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   2   1   1  17  12   4  16  11  13  10   3   1  13   4  10
   4   7   4   8  10   6   3   8   3   4   2   1   1   8   7   5
   3   2   6   2   4   2   1   1   3   1   1   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    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    48    53    62    41    77    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    42    66    48    49    53    62    63    67    76    69    41    43    73    77    38    39    44  
   35    36  
   36  
    0  
   40    42    46    56    66    74    48    53    62    41    43    50    77    38    39    44    45  
   39    78    40    41    43    48    50    53    62    64    73    77  
   43    53    73    77  
   42    46    47    52    56    57    66    74    75    48    49    53    76    41    43    44  
   43    50    51    54    73    77    44    45    42    53    66  
   46    47    52    56    66    74    58    48    49    53    62    67    76  
   50    51    54    55    64    73    77    78    44    45  
   45    50    77  
    0  
   47    52    56    57    66    58    59    60    61    48    49    53    76  
   52    56    58    48  
   49    53    62    63    67    68    76    69    52    66  
   53    62    67    76  
   51    54    55    64    65    73    77  
   54    55    64    77  
   56    57    66    74    58    59    60    61  
   62    63    67    68    76    69    70    71    72    77  
   55    64    65    73    77    78  
   64    65    73  
   57    66    74    75    58    59    60    61  
   66    74    58  
   59    60    61    66  
   60    61  
   61  
    0  
   63    67    68    76    69    70    71    72  
   67    68    76    69    70    71    72  
   65    73    77    78    79  
   73    77    78  
   74    75  
   68    76    69    70    71    72  
   76    69  
   70    71    72    76  
   71    72  
   72  
    0  
   77    78    79  
   75  
    0  
    0  
   78    79  
   79  
    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   0.377500   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   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   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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    53   382.000  1.448
   33    38   317.000  1.522
   37    40   320.000  1.460
   37    41   549.000  1.340
   40    42   469.000  1.400
   40    66   469.000  1.400
   42    46   469.000  1.400
   42    48   270.000  1.504
   46    47   367.000  1.080
   46    52   469.000  1.400
   52    56   469.000  1.400
   52    58   317.000  1.510
   56    57   367.000  1.080
   56    66   469.000  1.400
   66    74   450.000  1.364
   74    75   553.000  0.945
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    49   340.000  1.090
   48    53   340.000  1.430
   48    76   320.000  1.380
   53    62   305.000  1.457
   62    63   340.000  1.090
   62    67   255.000  1.522
   62    69   268.000  1.529
   67    68   570.000  1.229
   67    76   214.000  1.327
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   41    43   320.000  1.460
   41    44   510.000  1.338
   43    50   469.000  1.400
   43    77   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    64   469.000  1.400
   64    65   367.000  1.080
   64    73   469.000  1.400
   73    77   469.000  1.400
   73    78   450.000  1.364
   77    38   310.000  1.470
   38    39   570.000  1.229
   78    79   553.000  0.945
   44    45   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    53    85.00000  109.00000
   29    33    38    75.00000  110.18000
   33    37    40    65.00000  118.87000
   33    37    41    70.00000  124.00000
   33    53    48    80.00000  111.82000
   33    53    62    51.80000  107.20000
   33    38    77    65.00000  115.47100
   33    38    39    80.00000  120.40000
   37    40    42    60.00000  120.93500
   37    40    66    60.00000  120.93500
   37    41    43    60.00000  123.20500
   37    41    44    80.00000  121.38400
   40    42    46    63.00000  120.00000
   40    42    48    60.00000  120.68000
   40    66    56    63.00000  120.00000
   40    66    74    70.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    52    63.00000  120.00000
   42    48    49    45.00000  112.15300
   42    48    53    75.00000  112.33000
   42    48    76    90.00000  107.97000
   46    52    56    63.00000  120.00000
   46    52    58    70.00000  120.00000
   52    46    47    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    66    63.00000  120.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   56    66    74    70.00000  120.00000
   66    40    42    63.00000  120.00000
   66    56    57    35.00000  120.00000
   66    74    75    35.00000  113.00000
   58    52    56    70.00000  120.00000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    42    46    60.00000  120.68000
   48    53    62    80.00000  111.82000
   48    76    67    95.00000  111.08000
   53    33    37    75.00000  110.70900
   53    48    49    50.00000  110.45300
   53    62    63    50.00000  109.55000
   53    62    67    75.00000  112.91400
   53    62    69    80.00000  111.22000
   62    67    68    75.00000  123.42600
   62    67    76    90.00000  109.72300
   62    69    70    37.50000  110.70000
   62    69    71    37.50000  110.70000
   62    69    72    37.50000  110.70000
   67    62    63    45.00000  110.09800
   76    48    49    35.00000  109.50000
   76    48    53   100.00000  112.06800
   76    67    68    83.00000  123.40000
   69    62    63    37.50000  110.70000
   69    62    67    70.00000  110.61500
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   41    37    40    60.00000  123.20500
   41    43    50    60.00000  120.93500
   41    43    77    60.00000  120.93500
   41    44    45    70.00000  107.45700
   43    50    51    35.00000  120.00000
   43    50    54    63.00000  120.00000
   43    77    73    63.00000  120.00000
   43    77    38    60.00000  119.52600
   50    54    55    35.00000  120.00000
   50    54    64    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    64    65    35.00000  120.00000
   54    64    73    63.00000  120.00000
   64    54    55    35.00000  120.00000
   64    73    77    63.00000  120.00000
   64    73    78    70.00000  120.00000
   73    64    65    35.00000  120.00000
   73    77    38    60.00000  119.52600
   73    78    79    35.00000  113.00000
   77    43    50    63.00000  120.00000
   77    38    39    75.00000  123.78400
   38    33    37    70.00000  109.06800
   38    33    53    75.00000  112.82000
   78    73    77    70.00000  120.00000
   44    41    43    85.00000  114.86500
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    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   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    53    48   0.23200  1.0 1.0
   29    33    53    48   0.02100 -1.0 2.0
   29    33    53    48   0.24950  1.0 3.0
   29    33    53    62   0.23200  1.0 1.0
   29    33    53    62   0.02100 -1.0 2.0
   29    33    53    62   0.24950  1.0 3.0
   29    33    38    77   0.65300  1.0 1.0
   29    33    38    77  -0.03850 -1.0 2.0
   29    33    38    77   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   33    37    40    42  -0.02500  1.0 1.0
   33    37    40    42  -0.32150 -1.0 2.0
   33    37    40    42  -0.01500  1.0 3.0
   33    37    40    66  -0.02500  1.0 1.0
   33    37    40    66  -0.32150 -1.0 2.0
   33    37    40    66  -0.01500  1.0 3.0
   33    37    41    43   7.00000 -1.0 2.0
   33    37    41    44   7.00000 -1.0 2.0
   33    53    62    63   0.28000  1.0 3.0
   33    53    62    67  -1.76800  1.0 1.0
   33    53    62    67   1.02600 -1.0 2.0
   33    53    62    67   0.19700  1.0 3.0
   33    53    62    69   0.23450  1.0 1.0
   33    53    62    69   0.02050 -1.0 2.0
   33    53    62    69   0.25250  1.0 3.0
   37    33    53    48  -0.60800  1.0 1.0
   37    33    53    48   1.10050 -1.0 2.0
   37    33    53    48   0.47000  1.0 3.0
   37    33    53    62  -0.60800  1.0 1.0
   37    33    53    62   1.10050 -1.0 2.0
   37    33    53    62   0.47000  1.0 3.0
   37    33    38    77   0.65300  1.0 1.0
   37    33    38    77  -0.03850 -1.0 2.0
   37    33    38    77   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    40    42    46   3.62500 -1.0 2.0
   37    40   -42    48   3.62500 -1.0 2.0
   37    40    66    56   3.62500 -1.0 2.0
   37    40    66    74   3.62500 -1.0 2.0
   37    41    43    50   0.15800  1.0 1.0
   37    41    43    50   1.85350 -1.0 2.0
   37    41    43    50  -0.48700  1.0 3.0
   37    41   -43    77   0.15800  1.0 1.0
   37    41   -43    77   1.85350 -1.0 2.0
   37    41   -43    77  -0.48700  1.0 3.0
   37    41    44    45  -0.66100  1.0 1.0
   37    41    44    45   1.20850 -1.0 2.0
   37    41    44    45  -0.36000  1.0 3.0
   40    37    41    43   7.00000 -1.0 2.0
   40    37    41    44   7.00000 -1.0 2.0
   40    42    46    47   3.62500 -1.0 2.0
   40    42    46    52   3.62500 -1.0 2.0
   40    42    48    49   0.00000  1.0 1.0
   40    42    48    53   0.18550 -1.0 2.0
   40    42    48    53   0.14000  1.0 3.0
   40    42    48    76   0.64500  1.0 1.0
   40    42    48    76   0.14800 -1.0 2.0
   40    42    48    76   0.20650  1.0 3.0
   40    66    74    75   0.84100 -1.0 2.0
   42    40    66    56   3.62500 -1.0 2.0
   42    40    66    74   3.62500 -1.0 2.0
   42    46   -52    56   3.62500 -1.0 2.0
   42    46    52    58   3.62500 -1.0 2.0
   42    48   -53    33   0.82600  1.0 1.0
   42    48   -53    33  -0.32100 -1.0 2.0
   42    48   -53    33   1.02000  1.0 3.0
   42    48    53    62   0.82600  1.0 1.0
   42    48    53    62  -0.32100 -1.0 2.0
   42    48    53    62   1.02000  1.0 3.0
   42    48    76    67  -0.43900 -1.0 2.0
   42    48    76    67   0.14100  1.0 3.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    53   0.18550 -1.0 2.0
   46    42    48    53   0.14000  1.0 3.0
   46    42    48    76   0.64500  1.0 1.0
   46    42    48    76   0.14800 -1.0 2.0
   46    42    48    76   0.20650  1.0 3.0
   46    52    56    57   3.62500 -1.0 2.0
   46    52    56    66   3.62500 -1.0 2.0
   46    52    58    59   0.00000  1.0 1.0
   46    52    58    60   0.00000  1.0 1.0
   46    52    58    61   0.00000  1.0 1.0
   47    46    52    56   3.62500 -1.0 2.0
   47    46    52    58   3.62500 -1.0 2.0
   52    56   -66    40   3.62500 -1.0 2.0
   52    56    66    74   3.62500 -1.0 2.0
   56    52    58    59   0.00000  1.0 1.0
   56    52    58    60   0.00000  1.0 1.0
   56    52    58    61   0.00000  1.0 1.0
   56    66    74    75   0.84100 -1.0 2.0
   57    56    66    40   3.62500 -1.0 2.0
   57    56    66    74   3.62500 -1.0 2.0
   66    40   -42    46   3.62500 -1.0 2.0
   66    40    42    48   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   58    52    56    66   3.62500 -1.0 2.0
   48    42    46    47   3.62500 -1.0 2.0
   48    42    46    52   3.62500 -1.0 2.0
   48    53    62    63   0.10550  1.0 3.0
   48    53   -62    67  -1.76800  1.0 1.0
   48    53   -62    67   1.02600 -1.0 2.0
   48    53   -62    67   0.19700  1.0 3.0
   48    53    62    69   0.23450  1.0 1.0
   48    53    62    69   0.02050 -1.0 2.0
   48    53    62    69   0.25250  1.0 3.0
   49    48    53    33   0.28000  1.0 3.0
   49    48    53    62   0.28000  1.0 3.0
   49    48    76    67   0.08050  1.0 3.0
   53    33   -37    40   0.09700  1.0 1.0
   53    33   -37    40   0.15600 -1.0 2.0
   53    33   -37    40  -0.50800  1.0 3.0
   53    33    37    41   0.90200  1.0 1.0
   53    33    37    41   0.57900 -1.0 2.0
   53    33    37    41  -0.62100  1.0 3.0
   53    33    38    77   0.65300  1.0 1.0
   53    33    38    77  -0.03850 -1.0 2.0
   53    33    38    77   0.33900  1.0 3.0
   53    33    38    39   0.30150 -1.0 2.0
   53    48   -76    67  -0.24150  1.0 1.0
   53    48   -76    67  -0.46200 -1.0 2.0
   53    48   -76    67   0.11700  1.0 3.0
   53    62    67    68   0.30150 -1.0 2.0
   53    62   -67    76   0.40000  1.0 3.0
   53    62    69    70   0.15000  1.0 3.0
   53    62    69    71   0.15000  1.0 3.0
   53    62    69    72   0.15000  1.0 3.0
   62    67   -76    48   1.63150  1.0 1.0
   62    67   -76    48   2.92000 -1.0 2.0
   63    62    67    68   0.00000  1.0 1.0
   63    62    67    76   0.00000  1.0 1.0
   63    62    69    70   0.15000  1.0 3.0
   63    62    69    71   0.15000  1.0 3.0
   63    62    69    72   0.15000  1.0 3.0
   67    62    69    70  -0.03800  1.0 3.0
   67    62    69    71  -0.03800  1.0 3.0
   67    62    69    72  -0.03800  1.0 3.0
   68    67    76    48   3.00000 -1.0 2.0
   76    48    53    33   1.00600  1.0 1.0
   76    48    53    33  -1.41450 -1.0 2.0
   76    48    53    33   0.25150  1.0 3.0
   76    48   -53    62   1.00600  1.0 1.0
   76    48   -53    62  -1.41450 -1.0 2.0
   76    48   -53    62   0.25150  1.0 3.0
   69    62    67    68   0.00000  1.0 1.0
   69    62    67    76   0.36750  1.0 3.0
   41    37    40    42   0.15800  1.0 1.0
   41    37    40    42   1.85350 -1.0 2.0
   41    37    40    42  -0.48700  1.0 3.0
   41    37    40    66   0.15800  1.0 1.0
   41    37    40    66   1.85350 -1.0 2.0
   41    37    40    66  -0.48700  1.0 3.0
   41    43    50    51   3.62500 -1.0 2.0
   41    43    50    54   3.62500 -1.0 2.0
   41    43    77    73   3.62500 -1.0 2.0
   41    43    77    38   3.62500 -1.0 2.0
   43    41    44    45   2.00000 -1.0 2.0
   43    50    54    55   3.62500 -1.0 2.0
   43    50    54    64   3.62500 -1.0 2.0
   43    77   -38    33   2.26350  1.0 1.0
   43    77   -38    33   0.76750 -1.0 2.0
   43    77   -38    33   0.22500  1.0 3.0
   43    77    38    39   1.05000 -1.0 2.0
   50    43    77    73   3.62500 -1.0 2.0
   50    43    77    38   3.62500 -1.0 2.0
   50    54    64    65   3.62500 -1.0 2.0
   50    54   -64    73   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    64   3.62500 -1.0 2.0
   54    64    73    77   3.62500 -1.0 2.0
   54    64    73    78   3.62500 -1.0 2.0
   55    54    64    65   3.62500 -1.0 2.0
   55    54    64    73   3.62500 -1.0 2.0
   64    73   -77    43   3.62500 -1.0 2.0
   64    73    77    38   3.62500 -1.0 2.0
   64    73    78    79   0.84100 -1.0 2.0
   65    64    73    77   3.62500 -1.0 2.0
   65    64    73    78   3.62500 -1.0 2.0
   73    77    38    33   2.26350  1.0 1.0
   73    77    38    33   0.76750 -1.0 2.0
   73    77    38    33   0.22500  1.0 3.0
   73    77    38    39   1.05000 -1.0 2.0
   77    43    50    51   3.62500 -1.0 2.0
   77    43   -50    54   3.62500 -1.0 2.0
   77    73    78    79   0.84100 -1.0 2.0
   38    33    37    40   0.09700  1.0 1.0
   38    33    37    40   0.15600 -1.0 2.0
   38    33    37    40  -0.50800  1.0 3.0
   38    33   -37    41  -0.51250  1.0 1.0
   38    33   -37    41  -0.88800 -1.0 2.0
   38    33   -37    41   0.08850  1.0 3.0
   38    33    53    48  -1.76800  1.0 1.0
   38    33    53    48   1.02600 -1.0 2.0
   38    33    53    48   0.19700  1.0 3.0
   38    33    53    62  -1.76800  1.0 1.0
   38    33    53    62   1.02600 -1.0 2.0
   38    33    53    62   0.19700  1.0 3.0
   78    73    77    43   3.62500 -1.0 2.0
   78    73    77    38   3.62500 -1.0 2.0
   44    41    43    50  -0.01750  1.0 1.0
   44    41    43    50  -0.32000 -1.0 2.0
   44    41    43    50   0.00600  1.0 3.0
   44    41    43    77  -0.01750  1.0 1.0
   44    41    43    77  -0.32000 -1.0 2.0
   44    41    43    77   0.00600  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
   33    40    37    41   1.10000 -1.0 2.0
   42    66    40    37   4.00000 -1.0 2.0
   46    48    42    40   4.00000 -1.0 2.0
   52    47    46    42   1.10000 -1.0 2.0
   56    58    52    46   4.00000 -1.0 2.0
   66    57    56    52   1.10000 -1.0 2.0
   56    74    66    40   4.00000 -1.0 2.0
   62    76    67    68  10.50000 -1.0 2.0
   43    44    41    37   1.10000 -1.0 2.0
   50    77    43    41   4.00000 -1.0 2.0
   54    51    50    43   1.10000 -1.0 2.0
   64    55    54    50   1.10000 -1.0 2.0
   73    65    64    54   1.10000 -1.0 2.0
   77    78    73    64   4.00000 -1.0 2.0
   73    38    77    43   4.00000 -1.0 2.0
   33    77    38    39  10.50000 -1.0 2.0
END
