* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    157    245     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113   106.51982   -18.93431
    3     1 S   H    _H1_     3     1.02094    58.83627    83.29214
    4     1 S   H    _H2_     4     1.02134    53.34208  -120.19278
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C16    36     1.83670    97.69567   161.84262
   34    33 S   HC   _H3_    37     1.09805   103.49398   -32.74569
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C11    38     1.51571   107.47230    80.01664
   39    38 S   CMA  _C10    39     1.35095   125.68910   125.62886
   40    39 S   OM   _O21    40     1.26398   130.09943   179.86878
   41    38 S   OS   _O24    78     1.39250   113.73361   -56.85018
   42    39 S   CT   _C13    41     1.52242   118.83585     3.07714
   43    42 S   HC   _H30    42     1.10528   103.87551    91.79542
   44    42 S   HC   _H31    43     1.09357   113.92211  -158.51897
   45    41 S   CT   _C22    79     1.40255   112.16435   -87.64600
   46    45 S   HC   _H45    80     1.09249   109.51818   179.93147
   47    45 S   HC   _H46    81     1.09368   109.50772    59.19934
   48    45 S   HC   _H47    82     1.09170   108.97713   -60.42420
   49    42 S   CT   _C19    44     1.55843   116.46536   -24.97871
   50    49 S   CA   _C7_    45     1.53500   115.47260   -74.71348
   51    49 S   CT   _C14    71     1.56373   106.70370   165.24172
   52    51 S   HC   _H32    72     1.09787   110.57376    71.83942
   53    51 S   HC   _H33    73     1.09946   109.03239   -44.30108
   54    50 S   CA   _C6_    46     1.41329   119.87378   156.51651
   55    54 S   CA   _C4_    47     1.40651   120.02212   178.68107
   56    55 S   HA   _H26    48     1.08801   120.05344   179.70926
   57    54 S   CT   _C12    60     1.51221   122.42560    -1.80515
   58    57 S   HC   _H28    61     1.09554   108.03694   122.61043
   59    57 S   HC   _H29    62     1.09649   108.53136  -125.10573
   60    55 S   CA   _C5_    49     1.39056   120.86288    -0.33161
   61    60 S   HA   _H27    50     1.08643   119.77635  -179.90513
   62    57 S   CT   _C18    63     1.54877   115.71442    -2.79519
   63    62 S   HC   _H38    64     1.09774   108.97085  -146.10435
   64    60 S   CA   _C8_    51     1.38792   119.57869    -0.30390
   65    33 S   CT   _C17    65     1.56428   118.40227  -149.26610
   66    65 S   HC   _H37    66     1.10400   102.72412   151.71078
   67    62 S   NT   _N20    67     1.48505   112.48352    94.93565
   68    50 S   CA   _C9_    52     1.40653   122.09967   -25.96278
   69    64 S   OS   _O23    55     1.36414   118.91108  -179.18843
   70    67 S   CT   _C15    68     1.46476   112.84926   -57.93723
   71    70 S   HC   _H34    69     1.09796   109.55674  -174.51774
   72    70 S   HC   _H35    70     1.09571   111.93475    68.21919
   73    67 S   CT   _C20    74     1.45914   113.54994    70.51564
   74    73 S   HC   _H39    75     1.09303   110.13436    50.94959
   75    73 S   HC   _H40    76     1.09329   110.23959   -69.06693
   76    73 S   HC   _H41    77     1.09282   110.24133   170.93039
   77    68 S   OH   _O22    53     1.36282   123.91540    -1.79994
   78    77 S   HO   _H48    54     0.96989   110.16933   179.93147
   79    69 S   CT   _C21    56     1.42539   117.00877   -90.61154
   80    79 S   HC   _H42    57     1.09186   109.55013   179.97202
   81    79 S   HC   _H43    58     1.09341   109.50392    59.14785
   82    79 S   HC   _H44    59     1.09310   108.96370   -60.36446
  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
  16   7   2   1   1  14  10   5   6  13   5   4   3   2   1   1
  18  19  12   6   5  14  10   4  11   5   4   6   3  11   5   8
   5   1   7   4   5   6   2   1   3   2   1   1   1   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    65    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    49    62    65    66    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    49    50    57    62    63    65    66    67    51    41    45  
   38    39    49    62    65    66    41  
   36    37  
   37  
    0  
   39    40    42    43    44    49    62    65    66    41    45    46    47    48  
   40    42    43    44    49    50    65    51    41    45  
   42    43    44    49    41  
   45    46    47    48    42    65  
   43    44    49    50    54    68    62    65    66    70    51    52    53  
   44    49    50    65    51  
   49    50    65    51  
   46    47    48  
   47    48  
   48  
    0  
   50    54    55    64    68    77    57    62    63    65    66    67    70    71    72    51    52    53  
   54    55    56    60    64    68    77    78    69    57    58    59    62    65    66    70    51    52    53  
   52    53    73    54    62    65    66    67    68    70    71    72  
   53    65    67    70    71    72  
   65    67    70    71    72  
   55    56    60    61    64    68    77    57    58    59    62    63    65    67  
   56    60    61    64    68    69    57    58    59    62  
   60    61    64    57  
   58    59    62    63    65    66    67    70    73    60    68  
   59    62    63    65    67  
   62    63    65    67  
   61    64    68    77    69    79  
   64    68    69  
   63    65    66    67    70    71    72    73    74    75    76  
   65    66    67    70    73  
   68    77    78    69    79    80    81    82  
   66    67    70    73    68  
   67  
   70    71    72    73    74    75    76  
   77    78    69    79  
   79    80    81    82    77  
   71    72    73    74    75    76  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78  
    0  
   80    81    82  
   81    82  
   82  
    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   0.107500   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   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   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    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    65   268.000  1.529
   38    39   465.000  1.376
   38    41   440.000  1.360
   39    40   745.000  1.250
   39    42   270.000  1.512
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   317.000  1.510
   49    65   268.000  1.529
   49    51   268.000  1.529
   50    54   469.000  1.400
   50    68   469.000  1.400
   54    55   469.000  1.400
   54    57   317.000  1.510
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   367.000  1.080
   60    64   469.000  1.400
   64    68   469.000  1.400
   64    69   450.000  1.364
   68    77   450.000  1.364
   77    78   553.000  0.945
   69    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    67   382.000  1.448
   65    66   340.000  1.090
   67    70   382.000  1.448
   67    73   382.000  1.448
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    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    75.00000  112.20000
   29    33    65    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    85.00000  112.85300
   33    65    49    58.35000  112.70000
   33    65    62    58.35000  112.70000
   33    65    66    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    42    65.00000  122.18000
   38    41    45    90.00000  111.18400
   39    42    43    45.00000  110.52000
   39    42    44    45.00000  110.52000
   39    42    49    70.00000  112.02700
   42    39    40    85.00000  112.85300
   42    49    50    70.00000  112.17500
   42    49    65    58.35000  112.70000
   42    49    51    58.35000  112.70000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    50    54    70.00000  120.00000
   49    50    68    70.00000  120.00000
   49    65    62    58.35000  112.70000
   49    65    66    37.50000  110.70000
   49    51    70    58.35000  112.70000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   50    54    55    63.00000  120.00000
   50    54    57    70.00000  120.00000
   50    68    64    63.00000  120.00000
   50    68    77    70.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    60    63.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    70.00000  112.17500
   55    60    61    35.00000  120.00000
   55    60    64    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    64    68    63.00000  120.00000
   60    64    69    70.00000  120.00000
   64    60    61    35.00000  120.00000
   64    68    77    70.00000  120.00000
   64    69    79    75.00000  111.00000
   68    50    54    63.00000  120.00000
   68    77    78    35.00000  113.00000
   69    64    68    70.00000  120.00000
   69    79    80    35.00000  109.50000
   69    79    81    35.00000  109.50000
   69    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   57    54    55    70.00000  120.00000
   57    62    63    37.50000  110.70000
   57    62    65    58.35000  112.70000
   57    62    67    56.20000  109.47000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    67    70    51.80000  107.20000
   62    67    73    51.80000  107.20000
   65    33    34    37.50000  110.70000
   65    33    38    70.00000  112.02700
   65    49    50    70.00000  112.17500
   65    62    63    37.50000  110.70000
   67    62    63    35.00000  109.50000
   67    62    65    56.20000  109.47000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    51    56.20000  109.47000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   70    51    52    37.50000  110.70000
   70    51    53    37.50000  110.70000
   72    70    71    33.00000  107.80000
   51    49    50    70.00000  112.17500
   51    49    65    58.35000  112.70000
   51    70    71    37.50000  110.70000
   51    70    72    37.50000  110.70000
   53    51    52    33.00000  107.80000
   73    67    70    51.80000  107.20000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   41    38    39    80.00000  120.01400
   41    45    46    35.00000  109.50000
   41    45    47    35.00000  109.50000
   41    45    48    35.00000  109.50000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    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  -0.62250  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    65   0.01700  1.0 1.0
   24    29    33    65  -0.23550 -1.0 2.0
   24    29    33    65   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.09700  1.0 1.0
   29    33    38    41   0.15600 -1.0 2.0
   29    33    38    41  -0.50800  1.0 3.0
   29    33    65    49   0.44750  1.0 1.0
   29    33    65    49  -0.17800 -1.0 2.0
   29    33    65    49   0.20200  1.0 3.0
   29    33    65    62   0.44750  1.0 1.0
   29    33    65    62  -0.17800 -1.0 2.0
   29    33    65    62   0.20200  1.0 3.0
   29    33    65    66   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    42   7.00000 -1.0 2.0
   33    38    41    45   2.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    65    49   0.15000  1.0 3.0
   34    33    65    62   0.15000  1.0 3.0
   34    33    65    66   0.15000  1.0 3.0
   38    33    65    49   0.34400  1.0 1.0
   38    33    65    49   0.09450 -1.0 2.0
   38    33    65    49   0.11100  1.0 3.0
   38    33    65    62   0.34400  1.0 1.0
   38    33    65    62   0.09450 -1.0 2.0
   38    33    65    62   0.11100  1.0 3.0
   38    33    65    66   0.15000  1.0 3.0
   38    39    42    43   0.00000  1.0 1.0
   38    39    42    44   0.00000  1.0 1.0
   38    39   -42    49   0.09850  1.0 1.0
   38    39   -42    49   0.15250 -1.0 2.0
   38    39   -42    49  -0.50650  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    47   0.08050  1.0 3.0
   38    41    45    48   0.08050  1.0 3.0
   39    38    41    45  -2.26850  1.0 1.0
   39    38    41    45   3.39050 -1.0 2.0
   39    42    49    50   0.21200  1.0 1.0
   39    42    49    50   0.16900 -1.0 2.0
   39    42    49    50  -1.15100  1.0 3.0
   39    42    49    65   0.34400  1.0 1.0
   39    42    49    65   0.09450 -1.0 2.0
   39    42    49    65   0.11100  1.0 3.0
   39    42    49    51   0.34400  1.0 1.0
   39    42    49    51   0.09450 -1.0 2.0
   39    42    49    51   0.11100  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.09700  1.0 1.0
   40    39    42    49   0.15600 -1.0 2.0
   40    39    42    49  -0.50800  1.0 3.0
   42    49    50    54   0.04150 -1.0 2.0
   42    49    50    68   0.04150 -1.0 2.0
   42    49   -65    33   0.56750  1.0 1.0
   42    49   -65    33  -0.07550 -1.0 2.0
   42    49   -65    33   0.20000  1.0 3.0
   42    49    65    62   0.56750  1.0 1.0
   42    49    65    62  -0.07550 -1.0 2.0
   42    49    65    62   0.20000  1.0 3.0
   42    49    65    66   0.15000  1.0 3.0
   42    49    51    70   0.56750  1.0 1.0
   42    49    51    70  -0.07550 -1.0 2.0
   42    49    51    70   0.20000  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   43    42    49    50   0.43200  1.0 3.0
   43    42    49    65   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   44    42    49    50   0.43200  1.0 3.0
   44    42    49    65   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    57   3.62500 -1.0 2.0
   49    50    68    64   3.62500 -1.0 2.0
   49    50    68    77   3.62500 -1.0 2.0
   50    49    65    33  -0.03700  1.0 1.0
   50    49    65    33   0.37200 -1.0 2.0
   50    49    65    33  -0.47300  1.0 3.0
   50    49    65    62  -0.03700  1.0 1.0
   50    49    65    62   0.37200 -1.0 2.0
   50    49    65    62  -0.47300  1.0 3.0
   50    49    65    66   0.43200  1.0 3.0
   50    49    51    70  -0.03700  1.0 1.0
   50    49    51    70   0.37200 -1.0 2.0
   50    49    51    70  -0.47300  1.0 3.0
   50    49    51    52   0.43200  1.0 3.0
   50    49    51    53   0.43200  1.0 3.0
   50    54    55    56   3.62500 -1.0 2.0
   50    54    55    60   3.62500 -1.0 2.0
   50    54    57    58   0.00000  1.0 1.0
   50    54    57    59   0.00000  1.0 1.0
   50    54   -57    62   0.04150 -1.0 2.0
   50    68    77    78   0.84100 -1.0 2.0
   54    50    68    64   3.62500 -1.0 2.0
   54    50    68    77   3.62500 -1.0 2.0
   54    55    60    61   3.62500 -1.0 2.0
   54    55   -60    64   3.62500 -1.0 2.0
   54    57    62    63   0.43200  1.0 3.0
   54    57    62    65  -0.03700  1.0 1.0
   54    57    62    65   0.37200 -1.0 2.0
   54    57    62    65  -0.47300  1.0 3.0
   54    57    62    67   0.83750  1.0 1.0
   54    57    62    67   0.32200 -1.0 2.0
   54    57    62    67   0.70600  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    62   0.04150 -1.0 2.0
   55    60    64    68   3.62500 -1.0 2.0
   55    60    64    69   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    64   3.62500 -1.0 2.0
   60    64   -68    50   3.62500 -1.0 2.0
   60    64    68    77   3.62500 -1.0 2.0
   60    64    69    79   1.63200 -1.0 2.0
   61    60    64    68   3.62500 -1.0 2.0
   61    60    64    69   3.62500 -1.0 2.0
   64    68    77    78   0.84100 -1.0 2.0
   64    69    79    80   0.08050  1.0 3.0
   64    69    79    81   0.08050  1.0 3.0
   64    69    79    82   0.08050  1.0 3.0
   68    50   -54    55   3.62500 -1.0 2.0
   68    50    54    57   3.62500 -1.0 2.0
   68    64    69    79   1.63200 -1.0 2.0
   69    64    68    50   3.62500 -1.0 2.0
   69    64    68    77   3.62500 -1.0 2.0
   57    54    55    56   3.62500 -1.0 2.0
   57    54    55    60   3.62500 -1.0 2.0
   57    62    65    33   0.56750  1.0 1.0
   57    62    65    33  -0.07550 -1.0 2.0
   57    62    65    33   0.20000  1.0 3.0
   57    62   -65    49   0.56750  1.0 1.0
   57    62   -65    49  -0.07550 -1.0 2.0
   57    62   -65    49   0.20000  1.0 3.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    67    70   0.23450  1.0 1.0
   57    62    67    70   0.02050 -1.0 2.0
   57    62    67    70   0.25250  1.0 3.0
   57    62    67    73   0.58650  1.0 1.0
   57    62    67    73   0.12600 -1.0 2.0
   57    62    67    73   0.33350  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    65   0.15000  1.0 3.0
   58    57    62    67   0.15000  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    65   0.15000  1.0 3.0
   59    57    62    67   0.15000  1.0 3.0
   62    67    70    71   0.28000  1.0 3.0
   62    67    70    72   0.28000  1.0 3.0
   62    67    70    51   0.23450  1.0 1.0
   62    67    70    51   0.02050 -1.0 2.0
   62    67    70    51   0.25250  1.0 3.0
   62    67    73    74   0.28000  1.0 3.0
   62    67    73    75   0.28000  1.0 3.0
   62    67    73    76   0.28000  1.0 3.0
   63    62    65    33   0.15000  1.0 3.0
   63    62    65    49   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    67    70   0.28000  1.0 3.0
   63    62    67    73   0.28000  1.0 3.0
   65    33   -38    39   0.09850  1.0 1.0
   65    33   -38    39   0.15250 -1.0 2.0
   65    33   -38    39  -0.50650  1.0 3.0
   65    33    38    41   0.09700  1.0 1.0
   65    33    38    41   0.15600 -1.0 2.0
   65    33    38    41  -0.50800  1.0 3.0
   65    49   -50    54   0.04150 -1.0 2.0
   65    49    50    68   0.04150 -1.0 2.0
   65    49    51    70   0.56750  1.0 1.0
   65    49    51    70  -0.07550 -1.0 2.0
   65    49    51    70   0.20000  1.0 3.0
   65    49    51    52   0.15000  1.0 3.0
   65    49    51    53   0.15000  1.0 3.0
   65    62   -67    70   0.23450  1.0 1.0
   65    62   -67    70   0.02050 -1.0 2.0
   65    62   -67    70   0.25250  1.0 3.0
   65    62    67    73   0.58650  1.0 1.0
   65    62    67    73   0.12600 -1.0 2.0
   65    62    67    73   0.33350  1.0 3.0
   67    62    65    33   1.53400  1.0 1.0
   67    62    65    33  -0.09950 -1.0 2.0
   67    62    65    33   0.05700  1.0 3.0
   67    62    65    49   1.53400  1.0 1.0
   67    62    65    49  -0.09950 -1.0 2.0
   67    62    65    49   0.05700  1.0 3.0
   67    62    65    66   0.15000  1.0 3.0
   67    70   -51    49   1.53400  1.0 1.0
   67    70   -51    49  -0.09950 -1.0 2.0
   67    70   -51    49   0.05700  1.0 3.0
   67    70    51    52   0.15000  1.0 3.0
   67    70    51    53   0.15000  1.0 3.0
   70    67    73    74   0.28000  1.0 3.0
   70    67    73    75   0.28000  1.0 3.0
   70    67    73    76   0.28000  1.0 3.0
   71    70    51    49   0.15000  1.0 3.0
   71    70    51    52   0.15000  1.0 3.0
   71    70    51    53   0.15000  1.0 3.0
   72    70    51    49   0.15000  1.0 3.0
   72    70    51    52   0.15000  1.0 3.0
   72    70    51    53   0.15000  1.0 3.0
   51    49    50    54   0.04150 -1.0 2.0
   51    49    50    68   0.04150 -1.0 2.0
   51    49    65    33   0.56750  1.0 1.0
   51    49    65    33  -0.07550 -1.0 2.0
   51    49    65    33   0.20000  1.0 3.0
   51    49   -65    62   0.56750  1.0 1.0
   51    49   -65    62  -0.07550 -1.0 2.0
   51    49   -65    62   0.20000  1.0 3.0
   51    49    65    66   0.15000  1.0 3.0
   73    67    70    71   0.28000  1.0 3.0
   73    67    70    72   0.28000  1.0 3.0
   73    67    70    51   0.58650  1.0 1.0
   73    67    70    51   0.12600 -1.0 2.0
   73    67    70    51   0.33350  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    42   7.00000 -1.0 2.0
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
   33    41    38    39   1.10000 -1.0 2.0
   42    40    39    38   1.10000 -1.0 2.0
   54    68    50    49   4.00000 -1.0 2.0
   55    57    54    50   4.00000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   64    61    60    55   1.10000 -1.0 2.0
   68    69    64    60   4.00000 -1.0 2.0
   64    77    68    50   4.00000 -1.0 2.0
END
