* LIGAND DATABASE FILE (OPLS2005)
*
001      79    83    148    244     437
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02079    70.14524   -96.80214
    3     1 S   H    _H1_     3     1.02141   103.88967     8.40833
    4     1 S   H    _H2_     4     1.02127    43.09034   111.07594
    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     1.08519   110.61667    58.74867
   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     1.86375    96.78335   161.86326
   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   CO4  _C19    37     1.53683   107.35306   -60.01021
   38    37 S   O    _O35    38     1.22930   123.56641   -25.07650
   39    33 S   NT   _N4_    70     1.48200   115.91166  -179.91607
   40    37 S   CA   _C18    39     1.48249   117.94076   158.17517
   41    39 S   CT1  _C23    71     1.46535   116.42707    54.50948
   42    41 S   HC   _H5_    72     1.09309   113.67133    11.37286
   43    40 S   CA   _C13    40     1.39480   121.09735   -14.73314
   44    41 S   CO4  _C22    73     1.51096   104.27189  -107.01572
   45    44 S   O    _O37    74     1.22130   125.56126   170.63481
   46    41 S   CT   _C24    76     1.52320   110.27959   134.73542
   47    46 S   HC   _H15    77     1.09045   109.97678    54.24868
   48    46 S   HC   _H16    78     1.09007   109.99394   -65.72495
   49    46 S   HC   _H17    79     1.08998   110.00652   174.20069
   50    43 S   CA   _C14    41     1.40022   119.86647   178.18825
   51    50 S   HA   _H12    42     1.08740   121.35956   179.90721
   52    43 S   CO4  _C12    50     1.47746   120.84071    -2.72663
   53    52 S   O    _O34    51     1.22914   119.41417   173.18845
   54    68 S   OS   _O36    75     1.42702   110.41267  -130.63987
   55    50 S   CA   _C15    43     1.39557   120.16522     0.42978
   56    55 S   HA   _H13    44     1.08602   119.93779   179.84174
   57    33 S   CT   _C11    52     1.54916   107.72884    57.36327
   58    57 S   HC   _H3_    53     1.10012   109.02903   -51.98074
   59    55 S   CA   _C16    45     1.39153   120.00849     0.03956
   60    59 S   HA   _H14    46     1.08638   119.53632  -179.93744
   61    57 S   CA   _C8_    54     1.51674   110.29740    68.46845
   62    40 S   CA   _C17    47     1.40169   119.12816   164.12391
   63    61 S   CA   _C7_    55     1.40379   119.26201    32.08157
   64    62 S   OH   _O38    48     1.36363   122.94517     0.26541
   65    64 S   HO   _H18    49     0.97000   110.08775     1.25289
   66    63 S   CA   _C6_    56     1.40367   119.06051   178.45389
   67    66 S   HA   _H9_    57     1.08750   119.78202  -179.17671
   68    63 S   CO   _C21    68     1.51228   120.70001    -0.34035
   69    68 S   HC   _H4_    69     1.09953   105.98444   114.14728
   70    66 S   CA   _C5_    58     1.39455   120.61723     0.69464
   71    70 S   CA   _C10    59     1.39242   120.10090    -0.34887
   72    71 S   HA   _H10    60     1.08707   120.19759  -179.85735
   73    70 S   CT   _C4_    64     1.49169   119.93590   179.77971
   74    73 S   HC   _H6_    65     1.09706   110.36939    90.00582
   75    73 S   HC   _H7_    66     1.09746   111.27539  -149.55295
   76    73 S   HC   _H8_    67     1.09732   111.29667   -30.47133
   77    61 S   CA   _C9_    61     1.40280   120.70258  -148.93326
   78    77 S   OH   _O33    62     1.36333   121.18421     0.67377
   79    78 S   HO   _H11    63     0.96923   110.15195  -179.67615
  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  11   5   4   3
  20   2   1   1  14   5  18  12  12   8  12   9   3   5   2   1
   1   9   4   8   3   5   5   3   8   3   4   2  11   2   9   1
   1  11   4   3   1   8   8   3   4   2   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    52    57    58    61    68    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    62    52    53    57    58    61    63    77    68    69    39    41    42    44    54    46  
   35    36  
   36  
    0  
   38    40    43    50    59    62    64    52    57    58    61    68    39    41  
   40    43    62    57    39  
   41    42    44    45    54    46    47    48    49    40    52    57    58    61    63    66    68    69  
   43    50    51    55    59    60    62    64    65    52    53    57  
   42    44    45    54    46    47    48    49    57    63    68    69  
   44    45    54    46    47    48    49    68  
   50    51    55    56    59    62    64    52    53    57    58    61  
   45    54    46    47    48    49    63    68    69  
   54    46    68  
   47    48    49    54    68  
   48    49  
   49  
    0  
   51    55    56    59    60    62    52    53    57  
   55    56    59    52  
   53    57    58    61    63    77    55    62  
   57    58    61  
   61    63    66    68    69  
   56    59    60    62    64  
   59    60    62  
   58    61    63    66    71    77    78    68  
   61    63    77  
   60    62    64    65  
   62    64  
   63    66    67    70    71    72    77    78    79    68    69  
   64    65  
   66    67    70    71    77    78    73    68    69  
   65  
    0  
   67    70    71    72    77    73    74    75    76    68    69  
   70    71    73    68  
   69    70    77  
    0  
   71    72    77    78    73    74    75    76  
   72    77    78    79    73    74    75    76  
   77    78    73  
   74    75    76    77  
   75    76  
   76  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.3000   0.1700  -0.455000   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660   0.360000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700   0.150000   2.0020   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  1.522
   33    57   268.000  1.529
   33    39   382.000  1.448
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    62   469.000  1.400
   43    50   469.000  1.400
   43    52   310.000  1.470
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    56   367.000  1.080
   55    59   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    64   450.000  1.364
   64    65   553.000  0.945
   52    53   570.000  1.229
   52    57   317.000  1.522
   57    58   340.000  1.090
   57    61   317.000  1.510
   61    63   469.000  1.400
   61    77   469.000  1.400
   63    66   469.000  1.400
   63    68   270.000  1.504
   66    67   367.000  1.080
   66    70   469.000  1.400
   70    71   469.000  1.400
   70    73   317.000  1.510
   71    72   367.000  1.080
   71    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   68    69   340.000  1.090
   68    39   340.000  1.430
   68    54   320.000  1.380
   39    41   305.000  1.457
   41    42   340.000  1.090
   41    44   255.000  1.522
   41    46   268.000  1.529
   44    45   570.000  1.229
   44    54   214.000  1.327
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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  110.18000
   29    33    57    75.00000  111.63000
   29    33    39    85.00000  109.00000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    57    52    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    61    70.00000  112.17500
   33    39    68    80.00000  111.82000
   33    39    41    51.80000  107.20000
   37    40    43    60.00000  119.52600
   37    40    62    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    50    63.00000  120.00000
   40    43    52    60.00000  119.52600
   40    62    59    63.00000  120.00000
   40    62    64    70.00000  120.00000
   43    50    51    35.00000  120.00000
   43    50    55    63.00000  120.00000
   43    52    53    75.00000  123.78400
   43    52    57    65.00000  115.47100
   50    55    56    35.00000  120.00000
   50    55    59    63.00000  120.00000
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    62    63.00000  120.00000
   59    55    56    35.00000  120.00000
   59    62    64    70.00000  120.00000
   62    40    43    63.00000  120.00000
   62    59    60    35.00000  120.00000
   62    64    65    35.00000  113.00000
   52    43    50    60.00000  119.52600
   52    57    58    35.00000  109.50000
   52    57    61    70.00000  110.93000
   57    33    37    63.00000  111.10000
   57    52    53    80.00000  120.40000
   57    61    63    70.00000  120.00000
   57    61    77    70.00000  120.00000
   61    57    58    35.00000  109.50000
   61    63    66    63.00000  120.00000
   61    63    68    60.00000  120.68000
   61    77    71    63.00000  120.00000
   61    77    78    70.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    70    63.00000  120.00000
   63    68    69    45.00000  112.15300
   63    68    39    75.00000  112.33000
   63    68    54    90.00000  107.97000
   66    70    71    63.00000  120.00000
   66    70    73    70.00000  120.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    77    63.00000  120.00000
   70    73    74    35.00000  109.50000
   70    73    75    35.00000  109.50000
   70    73    76    35.00000  109.50000
   71    77    78    70.00000  120.00000
   77    61    63    63.00000  120.00000
   77    71    72    35.00000  120.00000
   77    78    79    35.00000  113.00000
   73    70    71    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
   68    63    66    60.00000  120.68000
   68    39    41    80.00000  111.82000
   68    54    44    95.00000  111.08000
   39    33    37    75.00000  112.82000
   39    33    57    56.20000  109.47000
   39    68    69    50.00000  110.45300
   39    41    42    50.00000  109.55000
   39    41    44    75.00000  112.91400
   39    41    46    80.00000  111.22000
   41    44    45    75.00000  123.42600
   41    44    54    90.00000  109.72300
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   44    41    42    45.00000  110.09800
   54    68    69    35.00000  109.50000
   54    68    39   100.00000  112.06800
   54    44    45    83.00000  123.40000
   46    41    42    37.50000  110.70000
   46    41    44    70.00000  110.61500
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    57    52   0.56750  1.0 1.0
   29    33    57    52  -0.07550 -1.0 2.0
   29    33    57    52   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.56750  1.0 1.0
   29    33    57    61  -0.07550 -1.0 2.0
   29    33    57    61   0.20000  1.0 3.0
   29    33    39    68   0.23200  1.0 1.0
   29    33    39    68   0.02100 -1.0 2.0
   29    33    39    68   0.24950  1.0 3.0
   29    33    39    41   0.23200  1.0 1.0
   29    33    39    41   0.02100 -1.0 2.0
   29    33    39    41   0.24950  1.0 3.0
   33    37    40    43   2.26350  1.0 1.0
   33    37    40    43   0.76750 -1.0 2.0
   33    37    40    43   0.22500  1.0 3.0
   33    37    40    62   2.26350  1.0 1.0
   33    37    40    62   0.76750 -1.0 2.0
   33    37    40    62   0.22500  1.0 3.0
   33    57    61    63   0.04150 -1.0 2.0
   33    57    61    77   0.04150 -1.0 2.0
   33    39    41    42   0.28000  1.0 3.0
   33    39    41    44  -1.76800  1.0 1.0
   33    39    41    44   1.02600 -1.0 2.0
   33    39    41    44   0.19700  1.0 3.0
   33    39    41    46   0.23450  1.0 1.0
   33    39    41    46   0.02050 -1.0 2.0
   33    39    41    46   0.25250  1.0 3.0
   37    33    57    52   0.11950  1.0 1.0
   37    33    57    52   0.20300 -1.0 2.0
   37    33    57    52  -0.70800  1.0 3.0
   37    33    57    58  -0.11250  1.0 3.0
   37    33    57    61   0.56750  1.0 1.0
   37    33    57    61  -0.07550 -1.0 2.0
   37    33    57    61   0.20000  1.0 3.0
   37    33    39    68  -1.76800  1.0 1.0
   37    33    39    68   1.02600 -1.0 2.0
   37    33    39    68   0.19700  1.0 3.0
   37    33    39    41  -1.76800  1.0 1.0
   37    33    39    41   1.02600 -1.0 2.0
   37    33    39    41   0.19700  1.0 3.0
   37    40    43    50   3.62500 -1.0 2.0
   37    40   -43    52   3.62500 -1.0 2.0
   37    40    62    59   3.62500 -1.0 2.0
   37    40    62    64   3.62500 -1.0 2.0
   38    37    40    43   1.05000 -1.0 2.0
   38    37    40    62   1.05000 -1.0 2.0
   40    43    50    51   3.62500 -1.0 2.0
   40    43    50    55   3.62500 -1.0 2.0
   40    43    52    53   1.05000 -1.0 2.0
   40    43    52    57   2.26350  1.0 1.0
   40    43    52    57   0.76750 -1.0 2.0
   40    43    52    57   0.22500  1.0 3.0
   40    62    64    65   0.84100 -1.0 2.0
   43    40    62    59   3.62500 -1.0 2.0
   43    40    62    64   3.62500 -1.0 2.0
   43    50    55    56   3.62500 -1.0 2.0
   43    50   -55    59   3.62500 -1.0 2.0
   43    52   -57    33   0.05850 -1.0 2.0
   43    52   -57    33   0.17250  1.0 3.0
   43    52    57    58   0.00000  1.0 1.0
   43    52    57    61   0.65300  1.0 1.0
   43    52    57    61  -0.03850 -1.0 2.0
   43    52    57    61   0.33900  1.0 3.0
   50    43    52    53   1.05000 -1.0 2.0
   50    43    52    57   2.26350  1.0 1.0
   50    43    52    57   0.76750 -1.0 2.0
   50    43    52    57   0.22500  1.0 3.0
   50    55    59    60   3.62500 -1.0 2.0
   50    55    59    62   3.62500 -1.0 2.0
   51    50    55    56   3.62500 -1.0 2.0
   51    50    55    59   3.62500 -1.0 2.0
   55    59   -62    40   3.62500 -1.0 2.0
   55    59    62    64   3.62500 -1.0 2.0
   56    55    59    60   3.62500 -1.0 2.0
   56    55    59    62   3.62500 -1.0 2.0
   59    62    64    65   0.84100 -1.0 2.0
   60    59    62    40   3.62500 -1.0 2.0
   60    59    62    64   3.62500 -1.0 2.0
   62    40   -43    50   3.62500 -1.0 2.0
   62    40    43    52   3.62500 -1.0 2.0
   52    43    50    51   3.62500 -1.0 2.0
   52    43    50    55   3.62500 -1.0 2.0
   52    57    61    63   0.04300 -1.0 2.0
   52    57    61    77   0.04300 -1.0 2.0
   53    52    57    33   0.30150 -1.0 2.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    61   0.30150 -1.0 2.0
   57    33    37    38   0.30150 -1.0 2.0
   57    33   -37    40   0.05850 -1.0 2.0
   57    33   -37    40   0.17250  1.0 3.0
   57    33    39    68   0.23450  1.0 1.0
   57    33    39    68   0.02050 -1.0 2.0
   57    33    39    68   0.25250  1.0 3.0
   57    33    39    41   0.23450  1.0 1.0
   57    33    39    41   0.02050 -1.0 2.0
   57    33    39    41   0.25250  1.0 3.0
   57    61    63    66   3.62500 -1.0 2.0
   57    61   -63    68   3.62500 -1.0 2.0
   57    61    77    71   3.62500 -1.0 2.0
   57    61    77    78   3.62500 -1.0 2.0
   58    57    61    63   0.00000  1.0 1.0
   58    57    61    77   0.00000  1.0 1.0
   61    63    66    67   3.62500 -1.0 2.0
   61    63    66    70   3.62500 -1.0 2.0
   61    63    68    69   0.00000  1.0 1.0
   61    63    68    39   0.18550 -1.0 2.0
   61    63    68    39   0.14000  1.0 3.0
   61    63    68    54   0.64500  1.0 1.0
   61    63    68    54   0.14800 -1.0 2.0
   61    63    68    54   0.20650  1.0 3.0
   61    77    78    79   0.84100 -1.0 2.0
   63    61    77    71   3.62500 -1.0 2.0
   63    61    77    78   3.62500 -1.0 2.0
   63    66   -70    71   3.62500 -1.0 2.0
   63    66    70    73   3.62500 -1.0 2.0
   63    68   -39    33   0.82600  1.0 1.0
   63    68   -39    33  -0.32100 -1.0 2.0
   63    68   -39    33   1.02000  1.0 3.0
   63    68    39    41   0.82600  1.0 1.0
   63    68    39    41  -0.32100 -1.0 2.0
   63    68    39    41   1.02000  1.0 3.0
   63    68    54    44  -0.43900 -1.0 2.0
   63    68    54    44   0.14100  1.0 3.0
   66    63    68    69   0.00000  1.0 1.0
   66    63    68    39   0.18550 -1.0 2.0
   66    63    68    39   0.14000  1.0 3.0
   66    63    68    54   0.64500  1.0 1.0
   66    63    68    54   0.14800 -1.0 2.0
   66    63    68    54   0.20650  1.0 3.0
   66    70    71    72   3.62500 -1.0 2.0
   66    70    71    77   3.62500 -1.0 2.0
   66    70    73    74   0.00000  1.0 1.0
   66    70    73    75   0.00000  1.0 1.0
   66    70    73    76   0.00000  1.0 1.0
   67    66    70    71   3.62500 -1.0 2.0
   67    66    70    73   3.62500 -1.0 2.0
   70    71   -77    61   3.62500 -1.0 2.0
   70    71    77    78   3.62500 -1.0 2.0
   71    70    73    74   0.00000  1.0 1.0
   71    70    73    75   0.00000  1.0 1.0
   71    70    73    76   0.00000  1.0 1.0
   71    77    78    79   0.84100 -1.0 2.0
   72    71    77    61   3.62500 -1.0 2.0
   72    71    77    78   3.62500 -1.0 2.0
   77    61   -63    66   3.62500 -1.0 2.0
   77    61    63    68   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    77   3.62500 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    70   3.62500 -1.0 2.0
   68    39    41    42   0.10550  1.0 3.0
   68    39   -41    44  -1.76800  1.0 1.0
   68    39   -41    44   1.02600 -1.0 2.0
   68    39   -41    44   0.19700  1.0 3.0
   68    39    41    46   0.23450  1.0 1.0
   68    39    41    46   0.02050 -1.0 2.0
   68    39    41    46   0.25250  1.0 3.0
   69    68    39    33   0.28000  1.0 3.0
   69    68    39    41   0.28000  1.0 3.0
   69    68    54    44   0.08050  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    57    52  -3.56550  1.0 1.0
   39    33    57    52  -0.67500 -1.0 2.0
   39    33    57    52   1.11300  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33   -57    61   0.83750  1.0 1.0
   39    33   -57    61   0.32200 -1.0 2.0
   39    33   -57    61   0.70600  1.0 3.0
   39    68   -54    44  -0.24150  1.0 1.0
   39    68   -54    44  -0.46200 -1.0 2.0
   39    68   -54    44   0.11700  1.0 3.0
   39    41    44    45   0.30150 -1.0 2.0
   39    41   -44    54   0.40000  1.0 3.0
   39    41    46    47   0.15000  1.0 3.0
   39    41    46    48   0.15000  1.0 3.0
   39    41    46    49   0.15000  1.0 3.0
   41    44   -54    68   1.63150  1.0 1.0
   41    44   -54    68   2.92000 -1.0 2.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    54   0.00000  1.0 1.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   44    41    46    47  -0.03800  1.0 3.0
   44    41    46    48  -0.03800  1.0 3.0
   44    41    46    49  -0.03800  1.0 3.0
   45    44    54    68   3.00000 -1.0 2.0
   54    68    39    33   1.00600  1.0 1.0
   54    68    39    33  -1.41450 -1.0 2.0
   54    68    39    33   0.25150  1.0 3.0
   54    68   -39    41   1.00600  1.0 1.0
   54    68   -39    41  -1.41450 -1.0 2.0
   54    68   -39    41   0.25150  1.0 3.0
   46    41    44    45   0.00000  1.0 1.0
   46    41    44    54   0.36750  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    38  10.50000 -1.0 2.0
   43    62    40    37   4.00000 -1.0 2.0
   50    52    43    40   4.00000 -1.0 2.0
   55    51    50    43   1.10000 -1.0 2.0
   59    56    55    50   1.10000 -1.0 2.0
   62    60    59    55   1.10000 -1.0 2.0
   59    64    62    40   4.00000 -1.0 2.0
   43    57    52    53  10.50000 -1.0 2.0
   63    77    61    57   4.00000 -1.0 2.0
   66    68    63    61   4.00000 -1.0 2.0
   70    67    66    63   1.10000 -1.0 2.0
   71    73    70    66   4.00000 -1.0 2.0
   77    72    71    70   1.10000 -1.0 2.0
   71    78    77    61   4.00000 -1.0 2.0
   41    54    44    45  10.50000 -1.0 2.0
END
