* LIGAND DATABASE FILE (OPLS2005)
*
001      79    84    148    256     444
    1     0 S   NP   _N1_     1    28.69309    96.21567   -23.78649
    2     1 S   H    _HN1     2     1.02950    69.91470    20.84471
    3     1 S   H    _H1_     3     1.02828    39.74653   179.05664
    4     1 S   H    _H2_     4     1.02785   106.86295   -83.02983
    5     1 S   CT   _CA1     5     1.50112   137.90598   119.40070
    6     5 S   HC   _HA1     6     1.09573   105.19312    95.36409
    7     5 S   CO3  _C1_     7     1.53787   112.48899   -24.86788
    8     7 S   O2Z  _O11     8     1.26371   115.00287   -41.97688
    9     7 S   O2Z  _O12     9     1.26242   114.95005   137.18187
   10     5 S   CT   _CB1    10     1.53085   107.42461  -146.64448
   11    10 S   HC   HB11    11     1.09832   109.36581   -49.71552
   12    10 S   HC   HB12    12     1.09812   110.44860    66.89566
   13    10 S   CT   _CG1    13     1.52988   112.60493  -170.69600
   14    13 S   HC   HG11    14     1.09582   110.63014   -65.87554
   15    13 S   HC   HG12    15     1.09672   109.77780    53.34867
   16    13 S   C    _CD1    16     1.51800   112.24938   173.80685
   17    16 S   O    _OE1    17     1.22728   123.29789     7.13729
   18    16 S   N    _N2_    18     1.38647   111.65117  -172.94895
   19    18 S   H    _HN2    19     1.01578   118.92794     1.74899
   20    18 S   CT1  _CA2    20     1.46166   123.40589   177.35536
   21    20 S   HC   _HA2    21     1.09727   109.41649     2.94198
   22    20 S   C    _C2_    22     1.53581   108.63864  -112.67939
   23    22 S   O    _O2_    23     1.23065   122.29335  -147.79340
   24    20 S   CT   _CB2    32     1.53255   111.56186   125.07208
   25    24 S   HC   HB21    33     1.09559   109.88052    56.20779
   26    24 S   HC   HB22    34     1.09389   109.67688   175.28565
   27    22 S   N    _N3_    24     1.38319   113.70632    39.59431
   28    27 S   H    _HN3    25     1.01580   119.59954    -3.23222
   29    24 S   S    _SG2    35     1.82799   111.74513   -64.98114
   30    27 S   CT   _CA3    26     1.45281   123.19702   177.20565
   31    30 S   HC   HA31    27     1.09549   107.50711   -64.79111
   32    30 S   HC   HA32    28     1.09558   107.99273    51.65044
   33    29 S   CT   _C25    36     1.86231    99.93495   169.40194
   34    33 S   HC   _H3_    37     1.08467   102.57763   -51.83235
   35    30 S   CO3  _C3_    29     1.52958   114.07168   173.65752
   36    35 S   O2Z  _O31    30     1.26377   116.06778    -0.44411
   37    35 S   O2Z  _O32    31     1.26428   114.41254   179.61285
   38    33 S   CA   _C23    38     1.52831   110.53843    71.09890
   39    38 S   CA   _C21    39     1.45172   122.75442   -95.05310
   40    38 S   CA   _C22    65     1.41582   115.34153    75.86731
   41    39 S   CA   _C17    40     1.44655   126.92788   -24.67780
   42    40 S   CT   _C24    66     1.51824   123.31233    17.38719
   43    42 S   HC   _H39    67     1.09764   106.90957   122.32266
   44    39 S   CR3  _C20    78     1.41793   116.31523   154.42257
   45    41 S   CA   _C8_    41     1.41915   122.63058   -20.63071
   46    45 S   HA   _H33    42     1.08731   120.59180    -8.35950
   47    42 S   CT   _C26    68     1.53994   117.29212    -0.08156
   48    47 S   HC   _H41    69     1.09630   110.81014  -109.53962
   49    42 S   OH   _O25    76     1.43261   109.55483  -123.31348
   50    49 S   HO   _H43    77     0.97328   107.66761    53.14587
   51    65 S   CR3  _C19    79     1.41388   119.02909     3.18782
   52    45 S   CA   _C5_    43     1.39391   123.58968   175.30618
   53    52 S   HA   _H30    44     1.08563   120.26545  -178.85790
   54    33 S   CT   _C27    70     1.53696   112.23294  -167.13078
   55    54 S   HC   _H42    71     1.09829   109.69034   179.17055
   56    47 S   OH   _O26    74     1.43571   108.99624   136.09236
   57    56 S   HO   _H44    75     0.97230   108.17708   -64.88039
   58    52 S   CA   _C4_    45     1.37650   119.21271     1.94762
   59    58 S   HA   _H29    46     1.08557   120.57211  -179.64834
   60    54 S   OH   _O27    72     1.42929   110.71312    62.75700
   61    60 S   HO   _H45    73     0.97222   107.87456    57.33219
   62    58 S   CA   _C7_    47     1.39205   119.05003     3.41524
   63    62 S   HA   _H32    48     1.08662   115.70378   176.10610
   64    41 S   CA   _C16    49     1.42284   120.80972   163.39532
   65    64 S   CA   _C18    50     1.42806   119.65008     8.15700
   66    65 S   CA   _C10    51     1.42160   123.70204  -179.74589
   67    66 S   HA   _H35    52     1.08656   121.39654     3.83191
   68    66 S   CA   _C6_    53     1.39419   122.73428  -175.57159
   69    68 S   HA   _H31    54     1.08605   120.07807   179.65965
   70    68 S   CA   _C9_    55     1.38175   119.63639     0.50513
   71    70 S   HA   _H34    56     1.08686   119.31326   179.04448
   72    70 S   CA   _C14    57     1.39666   119.50080    -1.25242
   73    72 S   CM   _C11    58     1.46753   118.47172   179.57618
   74    73 S   HC   _H36    59     1.08461   119.20475    -2.36140
   75    73 S   CM   _C12    60     1.33667   120.09865   178.06629
   76    75 S   HC   _H37    61     1.08481   120.48900   179.84051
   77    75 S   CA   _C15    62     1.46959   120.37330    -1.14347
   78    77 S   CA   _C13    63     1.39205   118.06712  -176.51985
   79    78 S   HA   _H38    64     1.08884   120.10219    -2.85190
  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
  15   7   2   1   1  17  16  14  13  13   7  13   8   4  10   6
   4   1  14   6   3   5   3   2   1   5   3   1   1   4   2   5
   8   6   3   5   3   5   2   5   5   3   4   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    54    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    54    55    60  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    78    40    42    47    48    54    55    60    61    56    44  
   38    39    40    47    54    55    60  
   36    37  
   37  
    0  
   39    41    45    64    77    78    79    40    42    43    47    54    55    60    49    44    51  
   41    45    46    52    62    64    65    72    75    77    78    40    42    54    44    51  
   42    43    47    48    54    56    49    50    44    41    75    77    78    79  
   45    46    52    53    58    62    63    64    65    66    77    44    51  
   43    47    48    54    55    60    56    57    49    50    77    78    79  
   47    48    54    56    49    50    78  
   51    45    64    65    66    70    72    73    75    76    77    78    79  
   46    52    53    58    59    62    64    65  
   52    53    58    64  
   48    54    55    60    61    56    57    49    50    78  
   54    55    60    56    57    49  
   50    54    56    78  
    0  
   62    64    65    66    67    68    70    71    72    73    74    75    77    78  
   53    58    59    62    63    64  
   58    59    62  
   55    60    61    56    57  
   60    61    56  
   57    60  
    0  
   59    62    63    64    65  
   62    63    64  
   61  
    0  
   63    64    65    66  
   64    65  
   65    66    67    68    72  
   66    67    68    69    70    72    73    77  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75  
   72    73  
   73    74    75    76    77  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700   0.000000   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   317.000  1.510
   33    54   268.000  1.529
   38    39   469.000  1.400
   38    40   469.000  1.400
   39    41   469.000  1.400
   39    44   490.000  1.398
   41    45   469.000  1.400
   41    64   469.000  1.400
   45    46   367.000  1.080
   45    52   469.000  1.400
   52    53   367.000  1.080
   52    58   469.000  1.400
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   469.000  1.400
   65    66   469.000  1.400
   65    51   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   320.000  1.460
   72    51   490.000  1.398
   73    74   340.000  1.080
   73    75   549.000  1.340
   75    76   340.000  1.080
   75    77   320.000  1.460
   77    78   469.000  1.400
   77    44   490.000  1.398
   78    79   367.000  1.080
   78    40   469.000  1.400
   40    42   317.000  1.510
   42    43   340.000  1.090
   42    47   268.000  1.529
   42    49   320.000  1.410
   47    48   340.000  1.090
   47    54   268.000  1.529
   47    56   320.000  1.410
   54    55   340.000  1.090
   54    60   320.000  1.410
   60    61   553.000  0.945
   56    57   553.000  0.945
   49    50   553.000  0.945
   44    51   490.000  1.398
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    54    75.00000  111.63000
   33    38    39    70.00000  120.00000
   33    38    40    70.00000  120.00000
   33    54    47    58.35000  112.70000
   33    54    55    37.50000  110.70000
   33    54    60    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    41    63.00000  120.00000
   38    39    44    70.00000  112.88000
   38    40    78    63.00000  120.00000
   38    40    42    70.00000  120.00000
   39    41    45    63.00000  120.00000
   39    41    64    63.00000  120.00000
   39    44    77    60.00000  130.80000
   39    44    51    60.00000  130.80000
   41    45    46    35.00000  120.00000
   41    45    52    63.00000  120.00000
   41    64    62    63.00000  120.00000
   41    64    65    63.00000  120.00000
   45    52    53    35.00000  120.00000
   45    52    58    63.00000  120.00000
   52    45    46    35.00000  120.00000
   52    58    59    35.00000  120.00000
   52    58    62    63.00000  120.00000
   58    52    53    35.00000  120.00000
   58    62    63    35.00000  120.00000
   58    62    64    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    64    65    63.00000  120.00000
   64    41    45    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    63.00000  120.00000
   64    65    51    70.00000  112.88000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    51    72    60.00000  130.80000
   65    51    44    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    60.00000  120.93500
   70    72    51    70.00000  112.88000
   72    70    71    35.00000  120.00000
   72    73    74    40.00000  117.26300
   72    73    75    60.00000  123.20500
   72    51    44    60.00000  130.80000
   73    75    76    35.00000  120.00000
   73    75    77    60.00000  123.20500
   75    73    74    35.00000  120.00000
   75    77    78    60.00000  120.93500
   75    77    44    60.00000  120.93500
   77    75    76    40.00000  117.26300
   77    78    79    35.00000  120.00000
   77    78    40    63.00000  120.00000
   77    44    51    60.00000  130.80000
   78    40    42    70.00000  120.00000
   40    38    39    63.00000  120.00000
   40    78    79    35.00000  120.00000
   40    42    43    35.00000  109.50000
   40    42    47    70.00000  112.17500
   40    42    49    90.00000  112.51600
   42    47    48    37.50000  110.70000
   42    47    54    58.35000  112.70000
   42    47    56    50.00000  109.50000
   42    49    50    55.00000  108.50000
   47    42    43    37.50000  110.70000
   47    54    55    37.50000  110.70000
   47    54    60    50.00000  109.50000
   47    56    57    55.00000  108.50000
   54    33    34    37.50000  110.70000
   54    33    38    70.00000  112.17500
   54    47    48    37.50000  110.70000
   54    60    61    55.00000  108.50000
   60    54    55    35.00000  109.50000
   56    47    48    35.00000  109.50000
   56    47    54    50.00000  109.50000
   49    42    43    35.00000  109.50000
   49    42    47    50.00000  109.50000
   44    39    41    70.00000  112.88000
   44    77    78    70.00000  112.88000
   51    65    66    70.00000  112.88000
   51    72    73    60.00000  120.93500
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   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    38    39  -0.16000  1.0 1.0
   29    33    38    39  -0.03200 -1.0 2.0
   29    33    38    39   0.04500  1.0 3.0
   29    33    38    40  -0.16000  1.0 1.0
   29    33    38    40  -0.03200 -1.0 2.0
   29    33    38    40   0.04500  1.0 3.0
   29    33    54    47   0.44750  1.0 1.0
   29    33    54    47  -0.17800 -1.0 2.0
   29    33    54    47   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    60   0.56750  1.0 1.0
   29    33    54    60  -0.07550 -1.0 2.0
   29    33    54    60   0.20000  1.0 3.0
   33    38    39    41   3.62500 -1.0 2.0
   33    38    39    44   3.62500 -1.0 2.0
   33    38    40    78   3.62500 -1.0 2.0
   33    38    40    42   3.62500 -1.0 2.0
   33    54    60    61  -0.11600  1.0 1.0
   33    54    60    61  -0.09450 -1.0 2.0
   33    54    60    61   0.21250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    54    47   0.15000  1.0 3.0
   34    33    54    55   0.15000  1.0 3.0
   34    33    54    60   0.23400  1.0 3.0
   38    33    54    47  -0.03700  1.0 1.0
   38    33    54    47   0.37200 -1.0 2.0
   38    33    54    47  -0.47300  1.0 3.0
   38    33    54    55   0.43200  1.0 3.0
   38    33    54    60   1.13150  1.0 1.0
   38    33    54    60  -1.01400 -1.0 2.0
   38    39    41    45   3.62500 -1.0 2.0
   38    39    41    64   3.62500 -1.0 2.0
   38    39    44    77   3.62500 -1.0 2.0
   38    39    44    51   3.62500 -1.0 2.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    47   0.04150 -1.0 2.0
   38    40    42    49   0.14300 -1.0 2.0
   38    40    42    49   0.00300  1.0 3.0
   39    38    40    78   3.62500 -1.0 2.0
   39    38    40    42   3.62500 -1.0 2.0
   39    41    45    46   3.62500 -1.0 2.0
   39    41    45    52   3.62500 -1.0 2.0
   39    41    64    62   3.62500 -1.0 2.0
   39    41    64    65   3.62500 -1.0 2.0
   39    44   -51    65   3.62500 -1.0 2.0
   39    44    51    72   3.62500 -1.0 2.0
   41    39    44    77   3.62500 -1.0 2.0
   41    39    44    51   3.62500 -1.0 2.0
   41    45    52    53   3.62500 -1.0 2.0
   41    45    52    58   3.62500 -1.0 2.0
   41    64    65    66   3.62500 -1.0 2.0
   41    64   -65    51   3.62500 -1.0 2.0
   45    41    64    62   3.62500 -1.0 2.0
   45    41    64    65   3.62500 -1.0 2.0
   45    52    58    59   3.62500 -1.0 2.0
   45    52   -58    62   3.62500 -1.0 2.0
   46    45    52    53   3.62500 -1.0 2.0
   46    45    52    58   3.62500 -1.0 2.0
   52    58    62    63   3.62500 -1.0 2.0
   52    58    62    64   3.62500 -1.0 2.0
   53    52    58    59   3.62500 -1.0 2.0
   53    52    58    62   3.62500 -1.0 2.0
   58    62   -64    41   3.62500 -1.0 2.0
   58    62    64    65   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   59    58    62    64   3.62500 -1.0 2.0
   62    64    65    66   3.62500 -1.0 2.0
   62    64    65    51   3.62500 -1.0 2.0
   63    62    64    41   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    41    45    46   3.62500 -1.0 2.0
   64    41   -45    52   3.62500 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    68   3.62500 -1.0 2.0
   64    65    51    72   3.62500 -1.0 2.0
   64    65    51    44   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    51    72   3.62500 -1.0 2.0
   66    65    51    44   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    51   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   0.56550  1.0 3.0
   70    72    73    75   0.15800  1.0 1.0
   70    72    73    75   1.85350 -1.0 2.0
   70    72    73    75  -0.48700  1.0 3.0
   70    72   -51    65   3.62500 -1.0 2.0
   70    72    51    44   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    51   3.62500 -1.0 2.0
   72    73    75    76   7.00000 -1.0 2.0
   72    73    75    77   7.00000 -1.0 2.0
   73    72    51    65   3.62500 -1.0 2.0
   73    72    51    44   3.62500 -1.0 2.0
   73    75    77    78   0.15800  1.0 1.0
   73    75    77    78   1.85350 -1.0 2.0
   73    75    77    78  -0.48700  1.0 3.0
   73    75   -77    44   0.15800  1.0 1.0
   73    75   -77    44   1.85350 -1.0 2.0
   73    75   -77    44  -0.48700  1.0 3.0
   74    73    75    76   7.00000 -1.0 2.0
   74    73    75    77   7.00000 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    78    40   3.62500 -1.0 2.0
   75    77    44    39   3.62500 -1.0 2.0
   75    77    44    51   3.62500 -1.0 2.0
   76    75    77    78   0.56550  1.0 3.0
   76    75    77    44   0.56550  1.0 3.0
   77    78   -40    38   3.62500 -1.0 2.0
   77    78    40    42   3.62500 -1.0 2.0
   77    44    51    65   3.62500 -1.0 2.0
   77    44   -51    72   3.62500 -1.0 2.0
   78    77   -44    39   3.62500 -1.0 2.0
   78    77    44    51   3.62500 -1.0 2.0
   78    40    42    43   0.00000  1.0 1.0
   78    40    42    47   0.04150 -1.0 2.0
   78    40    42    49   0.14300 -1.0 2.0
   78    40    42    49   0.00300  1.0 3.0
   79    78    40    38   3.62500 -1.0 2.0
   79    78    40    42   3.62500 -1.0 2.0
   40    38    39    41   3.62500 -1.0 2.0
   40    38    39    44   3.62500 -1.0 2.0
   40    42    47    48   0.43200  1.0 3.0
   40    42    47    54  -0.03700  1.0 1.0
   40    42    47    54   0.37200 -1.0 2.0
   40    42    47    54  -0.47300  1.0 3.0
   40    42    47    56   1.13150  1.0 1.0
   40    42    47    56  -1.01400 -1.0 2.0
   40    42    49    50   0.31900  1.0 1.0
   40    42    49    50  -0.11800 -1.0 2.0
   40    42    49    50   0.38750  1.0 3.0
   42    47   -54    33   0.56750  1.0 1.0
   42    47   -54    33  -0.07550 -1.0 2.0
   42    47   -54    33   0.20000  1.0 3.0
   42    47    54    55   0.15000  1.0 3.0
   42    47    54    60   0.86500  1.0 1.0
   42    47    54    60  -0.17500 -1.0 2.0
   42    47    54    60   0.20800  1.0 3.0
   42    47    56    57  -0.11600  1.0 1.0
   42    47    56    57  -0.09450 -1.0 2.0
   42    47    56    57   0.21250  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    54   0.15000  1.0 3.0
   43    42    47    56   0.23400  1.0 3.0
   43    42    49    50   0.19450  1.0 3.0
   47    42    49    50  -0.11600  1.0 1.0
   47    42    49    50  -0.09450 -1.0 2.0
   47    42    49    50   0.21250  1.0 3.0
   47    54    60    61  -0.11600  1.0 1.0
   47    54    60    61  -0.09450 -1.0 2.0
   47    54    60    61   0.21250  1.0 3.0
   48    47    54    33   0.15000  1.0 3.0
   48    47    54    55   0.15000  1.0 3.0
   48    47    54    60   0.23400  1.0 3.0
   48    47    56    57   0.19450  1.0 3.0
   54    33    38    39   0.04150 -1.0 2.0
   54    33   -38    40   0.04150 -1.0 2.0
   54    47    56    57  -0.11600  1.0 1.0
   54    47    56    57  -0.09450 -1.0 2.0
   54    47    56    57   0.21250  1.0 3.0
   55    54    60    61   0.19450  1.0 3.0
   56    47    54    33   0.86500  1.0 1.0
   56    47    54    33  -0.17500 -1.0 2.0
   56    47    54    33   0.20800  1.0 3.0
   56    47    54    55   0.23400  1.0 3.0
   56    47    54    60   3.75450  1.0 1.0
   49    42    47    48   0.23400  1.0 3.0
   49    42    47    54   0.86500  1.0 1.0
   49    42    47    54  -0.17500 -1.0 2.0
   49    42    47    54   0.20800  1.0 3.0
   49    42    47    56   3.75450  1.0 1.0
   44    39    41    45   3.62500 -1.0 2.0
   44    39   -41    64   3.62500 -1.0 2.0
   44    77    78    79   3.62500 -1.0 2.0
   44    77   -78    40   3.62500 -1.0 2.0
   51    65    66    67   3.62500 -1.0 2.0
   51    65   -66    68   3.62500 -1.0 2.0
   51    72    73    74   0.56550  1.0 3.0
   51    72   -73    75   0.15800  1.0 1.0
   51    72   -73    75   1.85350 -1.0 2.0
   51    72   -73    75  -0.48700  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   39    40    38    33   4.00000 -1.0 2.0
   41    44    39    38   4.00000 -1.0 2.0
   45    64    41    39   4.00000 -1.0 2.0
   52    46    45    41   1.10000 -1.0 2.0
   58    53    52    45   1.10000 -1.0 2.0
   62    59    58    52   1.10000 -1.0 2.0
   64    63    62    58   1.10000 -1.0 2.0
   62    65    64    41   4.00000 -1.0 2.0
   66    51    65    64   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    51    72    70   4.00000 -1.0 2.0
   72    74    73    75   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    44    77    75   4.00000 -1.0 2.0
   40    79    78    77   1.10000 -1.0 2.0
   78    42    40    38   4.00000 -1.0 2.0
   77    51    44    39   4.00000 -1.0 2.0
   72    44    51    65   4.00000 -1.0 2.0
END
