* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    142    229     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055   103.14798    11.03617
    3     1 S   H    _H1_     3     1.02150    41.75938   114.50134
    4     1 S   H    _H2_     4     1.02133    71.86499   -94.56658
    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     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   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    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   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   _C13    36     1.83622    98.14846   161.74810
   34    33 S   Br   Br3_    37     1.99184   109.12004  -176.52092
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C12    38     1.53255   109.59379   -59.93988
   39    38 S   Br   Br4_    39     1.89480   116.60524   -59.78953
   40    38 S   CM   _C11    40     1.34904   121.37184   120.72729
   41    40 S   CM   _C16    41     1.45892   121.01175    -3.23410
   42    41 S   CM   _C15    42     1.47416   120.97768     9.71493
   43    42 S   Br   Br1_    43     1.89062   119.65383   169.66115
   44    41 S   CMA  _C17    46     1.35953   108.90518  -169.10427
   45    44 S   OM   _O34    47     1.26477   129.90111   178.12549
   46    33 S   CM   _C14    44     1.54126   109.93942    66.61548
   47    46 S   Br   Br2_    45     1.91003   115.33866    59.49399
   48    44 S   OS   _O33    48     1.41916   110.33831    -0.21940
   49    40 S   CT   _C10    49     1.51494   132.23725  -179.26645
   50    49 S   CA   _C9_    50     1.54038   113.31349    51.45075
   51    49 S   CA   _C18    65     1.54307   115.16947   -83.74099
   52    50 S   CA   _C4_    51     1.39493   119.88644    74.71630
   53    52 S   HA   _H3_    52     1.08580   120.54705    -0.00000
   54    51 S   CA   _C19    66     1.39455   119.96990  -165.48834
   55    54 S   HA   _H6_    67     1.08698   120.52533    -0.04846
   56    52 S   CA   _C5_    53     1.39568   119.94822  -179.96044
   57    56 S   HA   _H4_    54     1.08624   119.64813   179.94065
   58    54 S   CA   _C20    68     1.39488   120.00849  -179.95577
   59    58 S   HA   _H7_    69     1.08589   119.62771   179.88636
   60    56 S   CA   _C6_    55     1.39527   119.97346     0.02798
   61    58 S   CA   _C21    70     1.39478   119.97241    -0.03426
   62    60 S   CA   _C7_    56     1.39500   120.03474    -0.04846
   63    60 S   OH   _O42    63     1.36299   118.95175   179.96044
   64    63 S   HO   _H10    64     0.96933   110.17196    -0.08393
   65    61 S   CA   _C22    71     1.39455   120.01909     0.02798
   66    61 S   OH   _O38    78     1.36246   118.95419   179.92598
   67    66 S   HO   _H9_    79     0.97033   110.19830   179.97202
   68    50 S   CA   _C8_    57     1.39459   120.04949  -105.27194
   69    68 S   HA   _H5_    58     1.08746   119.80104    -0.10468
   70    62 S   SY   _S2_    59     1.74893   120.87880   179.94405
   71    70 S   OY   _O41    60     1.47047   103.62354    70.10579
   72    70 S   OY   _O39    61     1.47096   105.70051  -169.98327
   73    70 S   OY   _O40    62     1.46959   103.78218   -50.07913
   74    51 S   CA   _C23    72     1.39478   120.01100    14.52497
   75    74 S   HA   _H8_    73     1.08772   119.79957    -0.11869
   76    65 S   SY   _S1_    74     1.74924   120.88035   180.00000
   77    76 S   OY   _O37    75     1.46986   103.66522    69.98860
   78    76 S   OY   _O35    76     1.47077   105.71423  -170.03893
   79    76 S   OY   _O36    77     1.46976   103.75583   -50.14307
  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   8   5   4   3
  10   6   2   1   1  11   4  14  10   7   3   6   2   1   1   7
  14  12  11   8   4   8   4   7   3   7   3   9   9   8   3   1
   8   3   1   5   1   3   2   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    49  
   38    39    40    42    46    47  
   36    37  
   37  
    0  
   39    40    41    42    46    47    44    48    49    50    51  
   40    41    46    49  
   41    42    43    46    44    45    48    49    50    52    68    51    54    74  
   42    43    46    47    44    45    48    49    50    51  
   43    46    47    44    45    48    49  
   46    47    44  
   45    48    49    50    51    46  
   48    49  
   47  
    0  
   49    50    52    68    51    54    74  
   50    52    53    56    62    68    69    51    54    55    58    65    74    75  
   52    53    56    57    60    62    68    69    70    51    54    74  
   54    55    58    59    61    65    74    75    76    52    68  
   53    56    57    60    62    68    69    63  
   56    57    60    68  
   55    58    59    61    65    74    75    66  
   58    59    61    74  
   57    60    62    68    70    63    64  
   60    62    63  
   59    61    65    74    76    66    67  
   61    65    66  
   62    68    69    70    71    72    73    63    64  
   65    74    75    76    77    78    79    66    67  
   68    69    70    71    72    73    63    64  
   64    68    70  
    0  
   74    75    76    77    78    79    66    67  
   67    74    76  
    0  
   69    70    71    72    73  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78    79  
   76  
   77    78    79  
   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  -0.175000   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   0.211400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.4700   0.4700  -0.203900   2.8000   2.5000   0.001000000  -0.686339560
   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   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   42   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   43   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   44   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   47   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660   0.352600   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0700  -0.041800   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5500   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   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   71   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   72   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   73   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.2500   1.291800   2.0025   1.7750   0.025682759  -1.666211680
   77   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   78   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   79   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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   245.000  1.990
   33    38   317.000  1.510
   33    46   317.000  1.510
   38    39   165.000  1.979
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    49   317.000  1.510
   41    42   380.000  1.444
   41    44   465.000  1.376
   42    43   165.000  1.979
   42    46   549.000  1.340
   46    47   165.000  1.979
   44    45   745.000  1.250
   44    48   440.000  1.360
   48    49   320.000  1.410
   49    50   317.000  1.510
   49    51   317.000  1.510
   50    52   469.000  1.400
   50    68   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    62   469.000  1.400
   60    63   450.000  1.364
   62    68   469.000  1.400
   62    70   225.000  1.779
   68    69   367.000  1.080
   70    71   735.000  1.471
   70    72   735.000  1.471
   70    73   735.000  1.471
   63    64   553.000  0.945
   51    54   469.000  1.400
   51    74   469.000  1.400
   54    55   367.000  1.080
   54    58   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    65   469.000  1.400
   61    66   450.000  1.364
   65    74   469.000  1.400
   65    76   225.000  1.779
   74    75   367.000  1.080
   76    77   735.000  1.471
   76    78   735.000  1.471
   76    79   735.000  1.471
   66    67   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    65.00000  111.00000
   29    33    38    75.00000  112.20000
   29    33    46    75.00000  112.20000
   33    38    39    70.00000  111.14000
   33    38    40    70.00000  124.00000
   33    46    42    70.00000  124.00000
   33    46    47    70.00000  111.14000
   38    33    34    70.00000  109.00000
   38    40    41    70.00000  123.01800
   38    40    49    70.00000  124.00000
   40    38    39    65.00000  115.01300
   40    41    42    70.00000  123.01800
   40    41    44    70.00000  117.34000
   40    49    48    85.00000  110.90400
   40    49    50    70.00000  112.99600
   40    49    51    70.00000  112.99600
   41    42    43    65.00000  115.01300
   41    42    46    70.00000  123.01800
   41    44    45    65.00000  137.10300
   41    44    48    80.00000  120.01400
   42    46    47    65.00000  115.01300
   46    33    34    70.00000  109.00000
   46    33    38    70.00000  110.12100
   46    42    43    65.00000  115.01300
   44    41    42    70.00000  117.34000
   44    48    49    90.00000  111.18400
   48    44    45    65.00000  121.00000
   48    49    50    85.00000  111.85700
   48    49    51    85.00000  111.85700
   49    40    41    70.00000  124.00000
   49    50    52    70.00000  120.00000
   49    50    68    70.00000  120.00000
   49    51    54    70.00000  120.00000
   49    51    74    70.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    56    63.00000  120.00000
   50    68    62    63.00000  120.00000
   50    68    69    35.00000  120.00000
   52    56    57    35.00000  120.00000
   52    56    60    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    60    62    63.00000  120.00000
   56    60    63    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    62    68    63.00000  120.00000
   60    62    70    65.00000  117.06700
   60    63    64    35.00000  113.00000
   62    68    69    35.00000  120.00000
   62    70    71   100.00000  107.67100
   62    70    72   100.00000  107.67100
   62    70    73   100.00000  107.67100
   68    50    52    63.00000  120.00000
   70    62    68    65.00000  117.06700
   72    70    71   115.00000  120.17200
   73    70    71   115.00000  120.17200
   73    70    72   115.00000  120.17200
   63    60    62    70.00000  120.00000
   51    49    50    70.00000  112.04700
   51    54    55    35.00000  120.00000
   51    54    58    63.00000  120.00000
   51    74    65    63.00000  120.00000
   51    74    75    35.00000  120.00000
   54    58    59    35.00000  120.00000
   54    58    61    63.00000  120.00000
   58    54    55    35.00000  120.00000
   58    61    65    63.00000  120.00000
   58    61    66    70.00000  120.00000
   61    58    59    35.00000  120.00000
   61    65    74    63.00000  120.00000
   61    65    76    65.00000  117.06700
   61    66    67    35.00000  113.00000
   65    74    75    35.00000  120.00000
   65    76    77   100.00000  107.67100
   65    76    78   100.00000  107.67100
   65    76    79   100.00000  107.67100
   74    51    54    63.00000  120.00000
   76    65    74    65.00000  117.06700
   78    76    77   115.00000  120.17200
   79    76    77   115.00000  120.17200
   79    76    78   115.00000  120.17200
   66    61    65    70.00000  120.00000
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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    46  -0.62250  1.0 1.0
   24    29    33    46  -0.38450 -1.0 2.0
   24    29    33    46   0.81900  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   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    42   0.42700  1.0 1.0
   29    33    46    42  -0.70350 -1.0 2.0
   29    33    46    42  -0.43150  1.0 3.0
   29    33    46    47   0.09700  1.0 1.0
   29    33    46    47   0.15600 -1.0 2.0
   29    33    46    47  -0.50800  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    49   7.00000 -1.0 2.0
   34    33    38    39   0.09700  1.0 1.0
   34    33    38    39   0.15600 -1.0 2.0
   34    33    38    39  -0.50800  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    46    42   0.09700  1.0 1.0
   34    33    46    42   0.15600 -1.0 2.0
   34    33    46    42  -0.50800  1.0 3.0
   34    33    46    47   0.09700  1.0 1.0
   34    33    46    47   0.15600 -1.0 2.0
   34    33    46    47  -0.50800  1.0 3.0
   38    33    46    42  -0.28300  1.0 1.0
   38    33    46    42   0.26700 -1.0 2.0
   38    33    46    42  -0.63300  1.0 3.0
   38    33    46    47   0.09700  1.0 1.0
   38    33    46    47   0.15600 -1.0 2.0
   38    33    46    47  -0.50800  1.0 3.0
   38    40   -41    42   0.28850  1.0 1.0
   38    40   -41    42   2.61350 -1.0 2.0
   38    40   -41    42   0.78400  1.0 3.0
   38    40    41    44   0.28850  1.0 1.0
   38    40    41    44   2.61350 -1.0 2.0
   38    40    41    44   0.78400  1.0 3.0
   38    40    49    48   0.39000  1.0 1.0
   38    40    49    48  -0.05800 -1.0 2.0
   38    40    49    48  -0.55150  1.0 3.0
   38    40    49    50   1.44450  1.0 1.0
   38    40    49    50   0.06600 -1.0 2.0
   38    40    49    50   0.29250  1.0 3.0
   38    40    49    51   1.44450  1.0 1.0
   38    40    49    51   0.06600 -1.0 2.0
   38    40    49    51   0.29250  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    49   7.00000 -1.0 2.0
   40    41    42    43  -0.18600  1.0 3.0
   40    41    42    46   0.28850  1.0 1.0
   40    41    42    46   2.61350 -1.0 2.0
   40    41    42    46   0.78400  1.0 3.0
   40    41    44    45   7.00000 -1.0 2.0
   40    41   -44    48   7.00000 -1.0 2.0
   40    49    50    52   0.18050 -1.0 2.0
   40    49    50    68   0.18050 -1.0 2.0
   40    49    51    54   0.18050 -1.0 2.0
   40    49    51    74   0.18050 -1.0 2.0
   41    40   -49    48   0.39000  1.0 1.0
   41    40   -49    48  -0.05800 -1.0 2.0
   41    40   -49    48  -0.55150  1.0 3.0
   41    40    49    50   1.44450  1.0 1.0
   41    40    49    50   0.06600 -1.0 2.0
   41    40    49    50   0.29250  1.0 3.0
   41    40    49    51   1.44450  1.0 1.0
   41    40    49    51   0.06600 -1.0 2.0
   41    40    49    51   0.29250  1.0 3.0
   41    42   -46    33   7.00000 -1.0 2.0
   41    42    46    47   7.00000 -1.0 2.0
   41    44   -48    49  -2.26850  1.0 1.0
   41    44   -48    49   3.39050 -1.0 2.0
   42    41    44    45   7.00000 -1.0 2.0
   42    41    44    48   7.00000 -1.0 2.0
   43    42    46    33   7.00000 -1.0 2.0
   43    42    46    47   7.00000 -1.0 2.0
   46    33    38    39   0.09700  1.0 1.0
   46    33    38    39   0.15600 -1.0 2.0
   46    33    38    39  -0.50800  1.0 3.0
   46    33   -38    40  -0.28300  1.0 1.0
   46    33   -38    40   0.26700 -1.0 2.0
   46    33   -38    40  -0.63300  1.0 3.0
   44    41    42    43  -0.18600  1.0 3.0
   44    41    42    46   0.28850  1.0 1.0
   44    41    42    46   2.61350 -1.0 2.0
   44    41    42    46   0.78400  1.0 3.0
   44    48   -49    40  -0.48150  1.0 1.0
   44    48   -49    40   0.09250 -1.0 2.0
   44    48   -49    40  -0.12850  1.0 3.0
   44    48    49    50  -0.48150  1.0 1.0
   44    48    49    50   0.09250 -1.0 2.0
   44    48    49    50  -0.12850  1.0 3.0
   44    48    49    51  -0.48150  1.0 1.0
   44    48    49    51   0.09250 -1.0 2.0
   44    48    49    51  -0.12850  1.0 3.0
   45    44    48    49   2.00000 -1.0 2.0
   48    49    50    52   0.64500  1.0 1.0
   48    49    50    52   0.14800 -1.0 2.0
   48    49    50    52   0.20650  1.0 3.0
   48    49    50    68   0.64500  1.0 1.0
   48    49    50    68   0.14800 -1.0 2.0
   48    49    50    68   0.20650  1.0 3.0
   48    49    51    54   0.64500  1.0 1.0
   48    49    51    54   0.14800 -1.0 2.0
   48    49    51    54   0.20650  1.0 3.0
   48    49    51    74   0.64500  1.0 1.0
   48    49    51    74   0.14800 -1.0 2.0
   48    49    51    74   0.20650  1.0 3.0
   49    40    41    42  -0.18600  1.0 3.0
   49    40   -41    44  -0.18600  1.0 3.0
   49    50    52    53   3.62500 -1.0 2.0
   49    50    52    56   3.62500 -1.0 2.0
   49    50    68    62   3.62500 -1.0 2.0
   49    50    68    69   3.62500 -1.0 2.0
   49    51    54    55   3.62500 -1.0 2.0
   49    51    54    58   3.62500 -1.0 2.0
   49    51    74    65   3.62500 -1.0 2.0
   49    51    74    75   3.62500 -1.0 2.0
   50    49    51    54   0.04300 -1.0 2.0
   50    49    51    74   0.04300 -1.0 2.0
   50    52    56    57   3.62500 -1.0 2.0
   50    52    56    60   3.62500 -1.0 2.0
   52    50    68    62   3.62500 -1.0 2.0
   52    50    68    69   3.62500 -1.0 2.0
   52    56   -60    62   3.62500 -1.0 2.0
   52    56    60    63   3.62500 -1.0 2.0
   53    52    56    57   3.62500 -1.0 2.0
   53    52    56    60   3.62500 -1.0 2.0
   56    60    62    68   3.62500 -1.0 2.0
   56    60    62    70   3.62500 -1.0 2.0
   56    60    63    64   0.84100 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   57    56    60    63   3.62500 -1.0 2.0
   60    62   -68    50   3.62500 -1.0 2.0
   60    62    68    69   3.62500 -1.0 2.0
   60    62    70    71   0.19500  1.0 1.0
   60    62    70    71   0.12000 -1.0 2.0
   60    62    70    72   0.19500  1.0 1.0
   60    62    70    72   0.12000 -1.0 2.0
   60    62    70    73   0.19500  1.0 1.0
   60    62    70    73   0.12000 -1.0 2.0
   62    60    63    64   0.84100 -1.0 2.0
   68    50    52    53   3.62500 -1.0 2.0
   68    50   -52    56   3.62500 -1.0 2.0
   68    62    70    71   0.19500  1.0 1.0
   68    62    70    71   0.12000 -1.0 2.0
   68    62    70    72   0.19500  1.0 1.0
   68    62    70    72   0.12000 -1.0 2.0
   68    62    70    73   0.19500  1.0 1.0
   68    62    70    73   0.12000 -1.0 2.0
   70    62    68    50   3.62500 -1.0 2.0
   70    62    68    69   3.62500 -1.0 2.0
   63    60    62    68   3.62500 -1.0 2.0
   63    60    62    70   3.62500 -1.0 2.0
   51    49    50    52   0.04300 -1.0 2.0
   51    49    50    68   0.04300 -1.0 2.0
   51    54    58    59   3.62500 -1.0 2.0
   51    54    58    61   3.62500 -1.0 2.0
   54    51    74    65   3.62500 -1.0 2.0
   54    51    74    75   3.62500 -1.0 2.0
   54    58   -61    65   3.62500 -1.0 2.0
   54    58    61    66   3.62500 -1.0 2.0
   55    54    58    59   3.62500 -1.0 2.0
   55    54    58    61   3.62500 -1.0 2.0
   58    61    65    74   3.62500 -1.0 2.0
   58    61    65    76   3.62500 -1.0 2.0
   58    61    66    67   0.84100 -1.0 2.0
   59    58    61    65   3.62500 -1.0 2.0
   59    58    61    66   3.62500 -1.0 2.0
   61    65   -74    51   3.62500 -1.0 2.0
   61    65    74    75   3.62500 -1.0 2.0
   61    65    76    77   0.19500  1.0 1.0
   61    65    76    77   0.12000 -1.0 2.0
   61    65    76    78   0.19500  1.0 1.0
   61    65    76    78   0.12000 -1.0 2.0
   61    65    76    79   0.19500  1.0 1.0
   61    65    76    79   0.12000 -1.0 2.0
   65    61    66    67   0.84100 -1.0 2.0
   74    51    54    55   3.62500 -1.0 2.0
   74    51   -54    58   3.62500 -1.0 2.0
   74    65    76    77   0.19500  1.0 1.0
   74    65    76    77   0.12000 -1.0 2.0
   74    65    76    78   0.19500  1.0 1.0
   74    65    76    78   0.12000 -1.0 2.0
   74    65    76    79   0.19500  1.0 1.0
   74    65    76    79   0.12000 -1.0 2.0
   76    65    74    51   3.62500 -1.0 2.0
   76    65    74    75   3.62500 -1.0 2.0
   66    61    65    74   3.62500 -1.0 2.0
   66    61    65    76   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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    49    40    38   1.10000 -1.0 2.0
   40    42    41    44   1.10000 -1.0 2.0
   41    43    42    46   1.10000 -1.0 2.0
   33    47    46    42   1.10000 -1.0 2.0
   45    48    44    41   1.10000 -1.0 2.0
   52    68    50    49   4.00000 -1.0 2.0
   56    53    52    50   1.10000 -1.0 2.0
   60    57    56    52   1.10000 -1.0 2.0
   62    63    60    56   4.00000 -1.0 2.0
   68    70    62    60   4.00000 -1.0 2.0
   62    69    68    50   1.10000 -1.0 2.0
   54    74    51    49   4.00000 -1.0 2.0
   58    55    54    51   1.10000 -1.0 2.0
   61    59    58    54   1.10000 -1.0 2.0
   65    66    61    58   4.00000 -1.0 2.0
   74    76    65    61   4.00000 -1.0 2.0
   65    75    74    51   1.10000 -1.0 2.0
END
