* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    148    224     424
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02116    37.67010  -155.68095
    3     1 S   H    _H1_     3     1.02079   100.29931   -48.49204
    4     1 S   H    _H2_     4     1.02031    77.43431    58.55042
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   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    57.98761
   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     1.04690   118.93088     8.54893
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08486   106.38580   -11.13132
   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     1.08733   110.25787    59.09630
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71931
   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   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CO   _C20    36     1.84165   100.47751   159.96512
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CT   _C21    37     1.53342   108.06755    80.07850
   38    37 S   HC   _H15    38     1.09546   112.63923   -62.30660
   39    37 S   HC   _H16    39     1.09645   109.84154    55.73265
   40    37 S   HC   _H17    40     1.09589   112.04236   173.77172
   41    33 S   OH   _O34    41     1.43139   110.51179  -166.12991
   42    41 S   HO   _H18    42     0.97162   106.92470   -56.08808
   43    33 S   OS   _O33    43     1.43896   113.57997   -36.79831
   44    43 S   CA   _C17    44     1.36574   121.95457   -91.72505
   45    44 S   CA   _C16    45     1.39559   119.97036  -150.05382
   46    45 S   HA   _H12    46     1.08644   120.32675    -0.02798
   47    45 S   CA   _C15    47     1.39496   119.95800   179.98022
   48    47 S   HA   _H11    48     1.08718   119.09109   179.97202
   49    47 S   CA   _C14    49     1.39452   120.03902     0.05595
   50    49 S   CA   _C19    50     1.39516   119.97232    -0.03426
   51    50 S   HA   _H14    51     1.08807   120.84100  -179.97202
   52    49 S   C5A  _C13    54     1.44264   120.01469   180.00000
   53    44 S   CA   _C18    52     1.39452   120.02666    29.98069
   54    53 S   HA   _H13    53     1.08732   120.32086     0.00000
   55    52 S   C5B  _C12    55     1.37518   129.30342    89.98791
   56    52 S   NA   _N4_    65     1.36930   122.77207   -90.03948
   57    55 S   C56B _C11    56     1.42261   107.75039  -180.00000
   58    56 S   CT   _C5_    66     1.44931   125.32217    -0.01978
   59    58 S   HC   _H6_    67     1.09614   107.93021  -134.99503
   60    58 S   HC   _H7_    68     1.09606   107.96130   -19.37166
   61    55 S   CT   _C22    80     1.47981   126.33508    -0.03426
   62    61 S   HC   _H19    81     1.10134   110.97711   -89.97158
   63    61 S   HC   _H20    82     1.10214   111.89024    30.52775
   64    61 S   HC   _H21    83     1.10261   111.84057   149.54169
   65    57 S   CA   _C10    57     1.40873   134.15910   179.98022
   66    65 S   HA   _H10    58     1.08672   120.59090     0.00000
   67    58 S   CT   _C4_    69     1.51865   112.24549   102.83670
   68    67 S   HC   _H3_    70     1.09548   111.20446   -59.37132
   69    67 S   HC   _H4_    71     1.09447   110.33985  -179.36142
   70    67 S   HC   _H5_    72     1.09505   111.20558    60.62595
   71    65 S   CA   _C9_    59     1.39912   119.17889   179.97202
   72    71 S   CA   _C8_    60     1.39404   120.81010    -0.01978
   73    72 S   HA   _H9_    61     1.08813   119.92738  -179.98022
   74    71 S   OS   _O35    73     1.36346   119.53452   179.97202
   75    72 S   CA   _C7_    62     1.39724   121.00972     0.01978
   76    75 S   HA   _H8_    63     1.08555   120.68329  -179.95154
   77    74 S   CO4  _C23    74     1.40393   114.04682    89.99230
   78    77 S   O    _O36    75     1.22366   125.82149    -0.02798
   79    57 S   C56A _C6_    64     1.39690   107.05125    -0.03956
   80    77 S   CT   _C24    76     1.49963   109.93686  -180.00000
   81    80 S   HC   _H22    77     1.09303   109.86957   -90.13022
   82    80 S   HC   _H23    78     1.09393   109.34012   150.95102
   83    80 S   HC   _H24    79     1.09281   109.87127    31.83869
  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
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   8   3
  11   6   3  15   1   1  12  14  13   8   6   5   5   2   1   1
   8   4   4   2   1   1   9   6   4   7   2   1   5   4   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    53  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    47    50    53    54  
   45    46    47    48    49    50    51    53    54  
   46    47    48    49    50    53    54    52  
   47    48    49    53  
   48    49    50    51    53    52    55    56  
   49    50    52  
   50    51    53    54    52    55    57    79    56    58    61  
   51    53    54    52    55    56  
   53    54    52  
   55    57    65    75    79    56    58    59    60    67    61    62    63    64    53  
   54  
    0  
   57    65    66    71    75    79    56    58    61    62    63    64  
   58    59    60    67    68    69    70    61    57    65    72    75    76    79  
   65    66    71    72    75    76    79    58    74    61    62    63    64  
   59    60    67    68    69    70    75    79  
   60    67    68    69    70    79  
   67    68    69    70    79  
   62    63    64    65    79  
   63    64  
   64  
    0  
   66    71    72    73    75    79    74    77  
   71    72    79    74  
   68    69    70    79  
   69    70  
   70  
    0  
   72    73    75    76    79    74    77    78    80  
   73    75    76    79    74    77  
   75    76    79    74  
   77    78    80    81    82    83    75  
   76    79  
   79  
   78    80    81    82    83  
   80    81    82    83  
    0  
   81    82    83  
   82    83  
   83  
    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  -0.175000   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   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.085700   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   56   3.2500   0.1700  -0.243400   1.8650   1.6500   0.001000000  -0.511443539
   57   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.002500   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   3.5000   0.0660  -0.124100   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700   0.026700   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   74   3.0000   0.1700  -0.180000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   77   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   79   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
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   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    53   469.000  1.400
   45    46   367.000  1.080
   45    47   469.000  1.400
   47    48   367.000  1.080
   47    49   469.000  1.400
   49    50   469.000  1.400
   49    52   365.000  1.450
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    54   367.000  1.080
   52    55   520.000  1.370
   52    56   427.000  1.381
   55    57   380.000  1.440
   55    61   295.000  1.494
   57    65   469.000  1.404
   57    79   447.000  1.419
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   469.000  1.400
   71    74   450.000  1.364
   72    73   367.000  1.080
   72    75   469.000  1.400
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    56   428.000  1.380
   56    58   320.000  1.443
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   74    77   214.000  1.327
   77    78   570.000  1.229
   77    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    53    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    47    63.00000  120.00000
   44    53    50    63.00000  120.00000
   44    53    54    35.00000  120.00000
   45    47    48    35.00000  120.00000
   45    47    49    63.00000  120.00000
   47    45    46    35.00000  120.00000
   47    49    50    63.00000  120.00000
   47    49    52    65.00000  121.65900
   49    47    48    35.00000  120.00000
   49    50    51    35.00000  120.00000
   49    50    53    63.00000  120.00000
   49    52    55    55.00000  129.85000
   49    52    56    75.00000  120.22300
   50    53    54    35.00000  120.00000
   53    44    45    63.00000  120.00000
   53    50    51    35.00000  120.00000
   52    49    50    65.00000  121.65900
   52    55    57    80.00000  105.82900
   52    55    61    55.00000  127.77900
   52    56    79    90.00000  107.14200
   52    56    58    65.00000  127.50000
   55    57    65    50.00000  134.85500
   55    57    79    80.00000  107.43600
   55    61    62    45.00000  111.11700
   55    61    63    45.00000  111.11700
   55    61    64    45.00000  111.11700
   57    65    66    35.00000  120.00000
   57    65    71    63.00000  120.00000
   57    79    75    85.00000  122.70000
   57    79    56    70.00000  104.40000
   65    71    72    63.00000  120.00000
   65    71    74    70.00000  120.00000
   71    65    66    35.00000  120.00000
   71    72    73    35.00000  120.00000
   71    72    75    63.00000  120.00000
   71    74    77    85.00000  115.98000
   72    75    76    35.00000  120.00000
   72    75    79    85.00000  120.00000
   75    72    73    35.00000  120.00000
   75    79    56    70.00000  132.80000
   79    57    65    85.00000  116.20000
   79    75    76    35.00000  120.00000
   79    56    58    65.00000  128.16600
   56    52    55    70.00000  106.30000
   56    58    59    50.00000  108.61900
   56    58    60    50.00000  108.61900
   56    58    67    75.00000  111.19500
   58    67    68    37.50000  110.70000
   58    67    69    37.50000  110.70000
   58    67    70    37.50000  110.70000
   60    58    59    33.00000  107.80000
   67    58    59    37.50000  110.70000
   67    58    60    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   74    71    72    70.00000  120.00000
   74    77    78    83.00000  123.40000
   74    77    80    81.00000  111.40000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   80    77    78    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   61    55    57    55.00000  128.73000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    53   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    47   3.62500 -1.0 2.0
   43    44    53    50   3.62500 -1.0 2.0
   43    44    53    54   3.62500 -1.0 2.0
   44    45    47    48   3.62500 -1.0 2.0
   44    45    47    49   3.62500 -1.0 2.0
   45    44    53    50   3.62500 -1.0 2.0
   45    44    53    54   3.62500 -1.0 2.0
   45    47   -49    50   3.62500 -1.0 2.0
   45    47    49    52   3.62500 -1.0 2.0
   46    45    47    48   3.62500 -1.0 2.0
   46    45    47    49   3.62500 -1.0 2.0
   47    49    50    51   3.62500 -1.0 2.0
   47    49    50    53   3.62500 -1.0 2.0
   47    49    52    55  -0.19450  1.0 1.0
   47    49    52    55   0.63300 -1.0 2.0
   47    49    52    55   0.07450  1.0 3.0
   47    49    52    56  -0.20000  1.0 1.0
   47    49    52    56   0.58050 -1.0 2.0
   48    47    49    50   3.62500 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   49    50   -53    44   3.62500 -1.0 2.0
   49    50    53    54   3.62500 -1.0 2.0
   49    52    55    57   3.62500 -1.0 2.0
   49    52    55    61   3.62500 -1.0 2.0
   49    52    56    79   3.62500 -1.0 2.0
   49    52    56    58   3.62500 -1.0 2.0
   50    49    52    55  -0.19450  1.0 1.0
   50    49    52    55   0.63300 -1.0 2.0
   50    49    52    55   0.07450  1.0 3.0
   50    49    52    56  -0.20000  1.0 1.0
   50    49    52    56   0.58050 -1.0 2.0
   51    50    53    44   3.62500 -1.0 2.0
   51    50    53    54   3.62500 -1.0 2.0
   53    44    45    46   3.62500 -1.0 2.0
   53    44   -45    47   3.62500 -1.0 2.0
   52    49    50    51   3.62500 -1.0 2.0
   52    49    50    53   3.62500 -1.0 2.0
   52    55    57    65   3.62500 -1.0 2.0
   52    55   -57    79   3.50000 -1.0 2.0
   52    55    61    62   0.00000  1.0 1.0
   52    55    61    63   0.00000  1.0 1.0
   52    55    61    64   0.00000  1.0 1.0
   52    56    58    59   0.00000  1.0 1.0
   52    56    58    60   0.00000  1.0 1.0
   52    56    58    67   1.10250  1.0 1.0
   52    56    58    67   0.01650 -1.0 2.0
   52    56    58    67   0.39100  1.0 3.0
   55    52   -56    79   3.62500 -1.0 2.0
   55    52    56    58   3.62500 -1.0 2.0
   55    57    65    66   3.62500 -1.0 2.0
   55    57    65    71   3.62500 -1.0 2.0
   55    57    79    75   3.00000 -1.0 2.0
   55    57   -79    56   3.00000 -1.0 2.0
   57    55    61    62   0.00000  1.0 1.0
   57    55    61    63   0.00000  1.0 1.0
   57    55    61    64   0.00000  1.0 1.0
   57    65    71    72   3.62500 -1.0 2.0
   57    65    71    74   3.62500 -1.0 2.0
   57    79   -56    52   3.62500 -1.0 2.0
   57    79    56    58   3.62500 -1.0 2.0
   65    57    79    75   3.00000 -1.0 2.0
   65    57    79    56   3.00000 -1.0 2.0
   65    71    72    73   3.62500 -1.0 2.0
   65    71   -72    75   3.62500 -1.0 2.0
   65    71    74    77   0.01300  1.0 1.0
   65    71    74    77   0.97950 -1.0 2.0
   65    71    74    77  -0.55700  1.0 3.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    74   3.62500 -1.0 2.0
   71    72    75    76   3.62500 -1.0 2.0
   71    72    75    79   3.62500 -1.0 2.0
   71    74    77    78   3.00000 -1.0 2.0
   71    74    77    80   0.75600  1.0 1.0
   71    74    77    80   1.63000 -1.0 2.0
   72    71    74    77   0.01300  1.0 1.0
   72    71    74    77   0.97950 -1.0 2.0
   72    71    74    77  -0.55700  1.0 3.0
   72    75   -79    57   3.62500 -1.0 2.0
   72    75    79    56   3.62500 -1.0 2.0
   73    72    75    76   3.62500 -1.0 2.0
   73    72    75    79   3.62500 -1.0 2.0
   75    79    56    52   3.62500 -1.0 2.0
   75    79    56    58   3.62500 -1.0 2.0
   76    75    79    57   3.62500 -1.0 2.0
   76    75    79    56   3.62500 -1.0 2.0
   79    57    65    66   3.50000 -1.0 2.0
   79    57   -65    71   3.50000 -1.0 2.0
   79    56    58    59   0.00000  1.0 1.0
   79    56    58    60   0.00000  1.0 1.0
   79    56    58    67   1.10250  1.0 1.0
   79    56    58    67   0.01650 -1.0 2.0
   79    56    58    67   0.39100  1.0 3.0
   56    52   -55    57   3.62500 -1.0 2.0
   56    52    55    61   3.62500 -1.0 2.0
   56    58    67    68   0.15000  1.0 3.0
   56    58    67    69   0.15000  1.0 3.0
   56    58    67    70   0.15000  1.0 3.0
   59    58    67    68   0.15000  1.0 3.0
   59    58    67    69   0.15000  1.0 3.0
   59    58    67    70   0.15000  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    70   0.15000  1.0 3.0
   74    71    72    73   3.62500 -1.0 2.0
   74    71    72    75   3.62500 -1.0 2.0
   74    77    80    81   0.00000  1.0 1.0
   74    77    80    82   0.00000  1.0 1.0
   74    77    80    83   0.00000  1.0 1.0
   78    77    80    81   0.00000  1.0 1.0
   78    77    80    82   0.00000  1.0 1.0
   78    77    80    83   0.00000  1.0 1.0
   61    55    57    65   3.62500 -1.0 2.0
   61    55    57    79   3.62500 -1.0 2.0
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
   45    53    44    43   4.00000 -1.0 2.0
   47    46    45    44   1.10000 -1.0 2.0
   49    48    47    45   1.10000 -1.0 2.0
   50    52    49    47   4.00000 -1.0 2.0
   53    51    50    49   1.10000 -1.0 2.0
   50    54    53    44   1.10000 -1.0 2.0
   55    56    52    49   4.00000 -1.0 2.0
   57    61    55    52   4.00000 -1.0 2.0
   65    79    57    55   4.00000 -1.0 2.0
   71    66    65    57   1.10000 -1.0 2.0
   72    74    71    65   4.00000 -1.0 2.0
   75    73    72    71   1.10000 -1.0 2.0
   79    76    75    72   1.10000 -1.0 2.0
   75    56    79    57   4.00000 -1.0 2.0
   79    58    56    52   4.00000 -1.0 2.0
   74    80    77    78  10.50000 -1.0 2.0
END
