* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    143    239     430
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02076    88.10211   -72.20161
    3     1 S   H    _H1_     3     1.02087    92.42391    36.45807
    4     1 S   H    _H2_     4     1.02097    33.03937   158.09230
    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   _C22    36     1.83424    97.81623   161.84370
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.51489   109.30253   -80.02657
   38    33 S   CO4  _C17    69     1.53539   107.25238   156.70620
   39    38 S   O    _O24    70     1.23340   121.79437   -45.11276
   40    33 S   C    _C18    75     1.50705   108.41677    38.30136
   41    40 S   O    _O25    76     1.22855   122.08917  -119.60543
   42    37 S   CMA  _C15    38     1.35527   125.68354  -113.07349
   43    42 S   OM   _O22    39     1.26499   129.87558  -179.38579
   44    37 S   OH   _O28    73     1.39607   116.10219    66.70357
   45    44 S   HO   _H44    74     0.95790   109.07784  -179.75611
   46    40 S   N    _N21    77     1.37506   113.76613    61.31996
   47    46 S   H    _H40    78     1.01438   118.70399     0.03956
   48    46 S   H    _H41    79     1.01534   122.64200   179.96574
   49    42 S   CT   _C20    40     1.53958   118.87708    -0.12511
   50    49 S   HC   _H36    41     1.10371   109.15032  -147.73915
   51    49 S   CT   _C19    42     1.54439   110.43573    93.41474
   52    51 S   HC   _H34    43     1.09722   107.64355    63.95423
   53    51 S   HC   _H35    44     1.09743   110.93324   -53.23389
   54    51 S   CA   _C10    45     1.50469   112.74542  -174.80548
   55    54 S   CA   _C9_    46     1.39736   122.19539    22.74144
   56    55 S   CA   _C13    47     1.40209   120.38442   179.19546
   57    55 S   CO4  _C14    66     1.48383   120.33056    -0.95018
   58    57 S   O    _O23    67     1.22939   119.79917  -174.30082
   59    56 S   CA   _C8_    48     1.40351   120.77409    -0.71846
   60    56 S   OH   _O27    64     1.36829   119.56403  -179.94065
   61    60 S   HO   _H43    65     0.96855   109.88966    -0.71901
   62    49 S   CT   _C21    68     1.53440   112.32288   -30.31886
   63    59 S   CA   _C7_    49     1.41195   119.27937    -0.03426
   64    62 S   OH   _O29    71     1.42555   108.81295   -63.93359
   65    64 S   HO   _H45    72     0.97035   106.51323  -179.52522
   66    63 S   CA   _C5_    50     1.40477   119.30058  -179.74207
   67    66 S   HA   _H32    51     1.08754   121.71689   179.94766
   68    54 S   CA   _C11    59     1.40448   118.90031  -159.39970
   69    66 S   CA   _C4_    52     1.39494   120.70931    -0.12820
   70    69 S   HA   _H31    53     1.08631   119.96982  -180.00000
   71    68 S   CT   _C23    60     1.50331   118.98856     0.13270
   72    71 S   HC   _H37    61     1.09235   109.81561   -89.33439
   73    71 S   HC   _H38    62     1.09361   110.70638    31.21424
   74    71 S   HC   _H39    63     1.09376   110.63938   150.15432
   75    69 S   CA   _C6_    54     1.39110   120.02585    -0.00000
   76    75 S   HA   _H33    55     1.08685   119.49823   179.93744
   77    59 S   CA   _C12    56     1.40518   121.47494  -179.96044
   78    77 S   OH   _O26    57     1.36642   123.14074    -0.16071
   79    78 S   HO   _H42    58     0.96824   110.00684   179.97202
  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  10   5   4   3
  16   2   1   1  13  15   5   7   3  12   5   2   1   2   1   1
  12   7  11   5   4  14  12  12   7   2  13   3   1   2  12   1
   1   8   4   6   5   3   3   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    62    38    39    44    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    57    62    38    39    64    44    45    40    41    46    47    48  
   35    36  
   36  
    0  
   42    43    49    50    51    62    38    39    44    45    40    41    46  
   39    64    65    44    40    41    46    42    49    50    51    55    57    58    62  
   64    40    49    57    62  
   41    46    47    48    42    44    62  
   46    47    48  
   43    49    50    51    52    53    54    57    62    64    44    45  
   49    50    51    62    44  
   45    49  
    0  
   47    48  
   48  
    0  
   50    51    52    53    54    55    68    57    58    62    64    65  
   51    52    53    54    57    62    64  
   52    53    54    55    56    63    68    71    57    62    64  
   53    54    55    68    62  
   54    55    68    62  
   55    56    59    63    66    68    71    72    73    74    60    57    58    62  
   56    59    63    77    68    71    60    61    57    58    62    64  
   59    63    66    75    77    78    68    60    61    57    58    62  
   58    62    64    65    59    60    68  
   62    64  
   63    66    67    69    75    76    77    78    79    68    71    60    61  
   61    63    77  
    0  
   64    65  
   66    67    69    70    75    77    78    68    71    72    73    74  
   65  
    0  
   67    69    70    75    76    77    68    71  
   69    70    75    68  
   71    72    73    74    69    77  
   70    75    76    77    78  
   75    76    77  
   72    73    74  
   73    74  
   74  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.005000   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   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    40   317.000  1.522
   37    42   465.000  1.376
   37    44   510.000  1.338
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   469.000  1.400
   54    68   469.000  1.400
   55    56   469.000  1.400
   55    57   310.000  1.470
   56    59   469.000  1.400
   56    60   450.000  1.364
   59    63   469.000  1.400
   59    77   469.000  1.400
   63    66   469.000  1.400
   63    68   469.000  1.400
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   450.000  1.364
   78    79   553.000  0.945
   68    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   60    61   553.000  0.945
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    38   317.000  1.522
   62    64   320.000  1.410
   38    39   570.000  1.229
   64    65   553.000  0.945
   44    45   553.000  0.945
   40    41   570.000  1.229
   40    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  110.18000
   29    33    40    70.00000  112.33000
   33    37    42    70.00000  124.00000
   33    37    44    90.00000  109.34000
   33    38    62    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    80.00000  120.40000
   33    40    46    70.00000  116.60000
   37    42    43    65.00000  137.10300
   37    42    49    65.00000  122.18000
   37    44    45    70.00000  107.45700
   42    49    50    45.00000  110.52000
   42    49    51    70.00000  112.02700
   42    49    62    70.00000  112.02700
   49    42    43    85.00000  112.85300
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    70.00000  112.17500
   49    62    57    63.00000  111.10000
   49    62    38    63.00000  111.10000
   49    62    64    50.00000  109.50000
   51    49    50    37.50000  110.70000
   51    54    55    70.00000  120.00000
   51    54    68    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    63.00000  120.00000
   54    55    57    60.00000  119.52600
   54    68    63    63.00000  120.00000
   54    68    71    70.00000  120.00000
   55    56    59    63.00000  120.00000
   55    56    60    70.00000  120.00000
   55    57    58    75.00000  123.78400
   55    57    62    65.00000  115.47100
   56    59    63    63.00000  120.00000
   56    59    77    63.00000  120.00000
   56    60    61    35.00000  113.00000
   59    63    66    63.00000  120.00000
   59    63    68    63.00000  120.00000
   59    77    75    63.00000  120.00000
   59    77    78    70.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    69    63.00000  120.00000
   63    68    71    70.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    75    63.00000  120.00000
   69    66    67    35.00000  120.00000
   69    75    76    35.00000  120.00000
   69    75    77    63.00000  120.00000
   75    69    70    35.00000  120.00000
   75    77    78    70.00000  120.00000
   77    59    63    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  113.00000
   68    54    55    63.00000  120.00000
   68    63    66    63.00000  120.00000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   60    56    59    70.00000  120.00000
   57    55    56    60.00000  119.52600
   57    62    38    75.00000  107.99600
   57    62    64    90.00000  109.61100
   62    49    50    37.50000  110.70000
   62    49    51    58.35000  112.70000
   62    57    58    80.00000  120.40000
   62    38    39    80.00000  120.40000
   62    64    65    55.00000  108.50000
   38    33    37    70.00000  109.06800
   64    62    38    90.00000  109.61100
   44    37    42    80.00000  121.38400
   40    33    37    70.00000  115.00700
   40    33    38    70.00000  107.85200
   40    46    47    35.00000  119.80000
   40    46    48    35.00000  119.80000
   46    40    41    80.00000  122.90000
   48    46    47    35.00000  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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    62   0.65300  1.0 1.0
   29    33    38    62  -0.03850 -1.0 2.0
   29    33    38    62   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    46   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    37    44    45   2.00000 -1.0 2.0
   33    40    46    47   2.45000 -1.0 2.0
   33    40    46    48   2.45000 -1.0 2.0
   37    33    38    62   0.65300  1.0 1.0
   37    33    38    62  -0.03850 -1.0 2.0
   37    33    38    62   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41   0.30150 -1.0 2.0
   37    33    40    46   0.00000  1.0 1.0
   37    42    49    50   0.00000  1.0 1.0
   37    42    49    51   0.09850  1.0 1.0
   37    42    49    51   0.15250 -1.0 2.0
   37    42    49    51  -0.50650  1.0 3.0
   37    42   -49    62   0.09850  1.0 1.0
   37    42   -49    62   0.15250 -1.0 2.0
   37    42   -49    62  -0.50650  1.0 3.0
   42    37    44    45  -0.66100  1.0 1.0
   42    37    44    45   1.20850 -1.0 2.0
   42    37    44    45  -0.36000  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   42    49    51    54   0.21200  1.0 1.0
   42    49    51    54   0.16900 -1.0 2.0
   42    49    51    54  -1.15100  1.0 3.0
   42    49    62    57  -0.98800  1.0 1.0
   42    49    62    57   0.48800 -1.0 2.0
   42    49    62    57   0.76800  1.0 3.0
   42    49    62    38  -0.98800  1.0 1.0
   42    49    62    38   0.48800 -1.0 2.0
   42    49    62    38   0.76800  1.0 3.0
   42    49    62    64   1.05650  1.0 1.0
   42    49    62    64   0.15600 -1.0 2.0
   42    49    62    64   0.53150  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.09700  1.0 1.0
   43    42    49    51   0.15600 -1.0 2.0
   43    42    49    51  -0.50800  1.0 3.0
   43    42    49    62   0.09700  1.0 1.0
   43    42    49    62   0.15600 -1.0 2.0
   43    42    49    62  -0.50800  1.0 3.0
   49    51    54    55   0.04150 -1.0 2.0
   49    51    54    68   0.04150 -1.0 2.0
   49    62   -38    33   0.60050  1.0 1.0
   49    62   -38    33   0.05600 -1.0 2.0
   49    62   -38    33   0.26150  1.0 3.0
   49    62    38    39   0.30150 -1.0 2.0
   49    62    64    65  -0.11600  1.0 1.0
   49    62    64    65  -0.09450 -1.0 2.0
   49    62    64    65   0.21250  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.43200  1.0 3.0
   50    49    62    57  -0.11250  1.0 3.0
   50    49    62    38  -0.11250  1.0 3.0
   50    49    62    64   0.23400  1.0 3.0
   51    49    62    57  -0.95700  1.0 1.0
   51    49    62    57  -0.18200 -1.0 2.0
   51    49    62    57   0.29450  1.0 3.0
   51    49    62    38  -0.95700  1.0 1.0
   51    49    62    38  -0.18200 -1.0 2.0
   51    49    62    38   0.29450  1.0 3.0
   51    49    62    64   0.86500  1.0 1.0
   51    49    62    64  -0.17500 -1.0 2.0
   51    49    62    64   0.20800  1.0 3.0
   51    54    55    56   3.62500 -1.0 2.0
   51    54   -55    57   3.62500 -1.0 2.0
   51    54    68    63   3.62500 -1.0 2.0
   51    54    68    71   3.62500 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    68   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    68   0.00000  1.0 1.0
   54    55    56    59   3.62500 -1.0 2.0
   54    55    56    60   3.62500 -1.0 2.0
   54    55    57    58   1.05000 -1.0 2.0
   54    55    57    62   2.26350  1.0 1.0
   54    55    57    62   0.76750 -1.0 2.0
   54    55    57    62   0.22500  1.0 3.0
   54    68    71    72   0.00000  1.0 1.0
   54    68    71    73   0.00000  1.0 1.0
   54    68    71    74   0.00000  1.0 1.0
   55    54    68    63   3.62500 -1.0 2.0
   55    54    68    71   3.62500 -1.0 2.0
   55    56   -59    63   3.62500 -1.0 2.0
   55    56    59    77   3.62500 -1.0 2.0
   55    56    60    61   0.84100 -1.0 2.0
   55    57   -62    49   0.05850 -1.0 2.0
   55    57   -62    49   0.17250  1.0 3.0
   55    57    62    38   0.65300  1.0 1.0
   55    57    62    38  -0.03850 -1.0 2.0
   55    57    62    38   0.33900  1.0 3.0
   55    57    62    64   0.65300  1.0 1.0
   55    57    62    64  -0.03850 -1.0 2.0
   55    57    62    64   0.33900  1.0 3.0
   56    55    57    58   1.05000 -1.0 2.0
   56    55    57    62   2.26350  1.0 1.0
   56    55    57    62   0.76750 -1.0 2.0
   56    55    57    62   0.22500  1.0 3.0
   56    59    63    66   3.62500 -1.0 2.0
   56    59    63    68   3.62500 -1.0 2.0
   56    59    77    75   3.62500 -1.0 2.0
   56    59    77    78   3.62500 -1.0 2.0
   59    56    60    61   0.84100 -1.0 2.0
   59    63    66    67   3.62500 -1.0 2.0
   59    63    66    69   3.62500 -1.0 2.0
   59    63   -68    54   3.62500 -1.0 2.0
   59    63    68    71   3.62500 -1.0 2.0
   59    77    78    79   0.84100 -1.0 2.0
   63    59    77    75   3.62500 -1.0 2.0
   63    59    77    78   3.62500 -1.0 2.0
   63    66    69    70   3.62500 -1.0 2.0
   63    66   -69    75   3.62500 -1.0 2.0
   63    68    71    72   0.00000  1.0 1.0
   63    68    71    73   0.00000  1.0 1.0
   63    68    71    74   0.00000  1.0 1.0
   66    63    68    54   3.62500 -1.0 2.0
   66    63    68    71   3.62500 -1.0 2.0
   66    69    75    76   3.62500 -1.0 2.0
   66    69    75    77   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    75   3.62500 -1.0 2.0
   69    75   -77    59   3.62500 -1.0 2.0
   69    75    77    78   3.62500 -1.0 2.0
   70    69    75    76   3.62500 -1.0 2.0
   70    69    75    77   3.62500 -1.0 2.0
   75    77    78    79   0.84100 -1.0 2.0
   76    75    77    59   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   77    59   -63    66   3.62500 -1.0 2.0
   77    59    63    68   3.62500 -1.0 2.0
   68    54   -55    56   3.62500 -1.0 2.0
   68    54    55    57   3.62500 -1.0 2.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    69   3.62500 -1.0 2.0
   60    56    59    63   3.62500 -1.0 2.0
   60    56    59    77   3.62500 -1.0 2.0
   57    55    56    59   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   57    62    38    33   0.65300  1.0 1.0
   57    62    38    33  -0.03850 -1.0 2.0
   57    62    38    33   0.33900  1.0 3.0
   57    62    38    39   0.30150 -1.0 2.0
   57    62    64    65   0.91850  1.0 1.0
   57    62    64    65   0.57950  1.0 3.0
   58    57    62    49   0.30150 -1.0 2.0
   58    57    62    38   0.30150 -1.0 2.0
   58    57    62    64   0.30150 -1.0 2.0
   62    49    51    52   0.15000  1.0 3.0
   62    49    51    53   0.15000  1.0 3.0
   62    49   -51    54  -0.03700  1.0 1.0
   62    49   -51    54   0.37200 -1.0 2.0
   62    49   -51    54  -0.47300  1.0 3.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    46   0.00000  1.0 1.0
   38    62    64    65   0.91850  1.0 1.0
   38    62    64    65   0.57950  1.0 3.0
   64    62    38    33   0.55300  1.0 1.0
   64    62    38    33   1.25850 -1.0 2.0
   64    62    38    33  -0.23600  1.0 3.0
   64    62    38    39   0.30150 -1.0 2.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    49   7.00000 -1.0 2.0
   40    33    37    42  -0.51250  1.0 1.0
   40    33    37    42  -0.88800 -1.0 2.0
   40    33    37    42   0.08850  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    62   0.65300  1.0 1.0
   40    33    38    62  -0.03850 -1.0 2.0
   40    33    38    62   0.33900  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   41    40    46    47   2.45000 -1.0 2.0
   41    40    46    48   2.45000 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   49    43    42    37   1.10000 -1.0 2.0
   55    68    54    51   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   59    60    56    55   4.00000 -1.0 2.0
   63    77    59    56   4.00000 -1.0 2.0
   66    68    63    59   4.00000 -1.0 2.0
   69    67    66    63   1.10000 -1.0 2.0
   75    70    69    66   1.10000 -1.0 2.0
   77    76    75    69   1.10000 -1.0 2.0
   75    78    77    59   4.00000 -1.0 2.0
   63    71    68    54   4.00000 -1.0 2.0
   55    62    57    58  10.50000 -1.0 2.0
   33    62    38    39  10.50000 -1.0 2.0
   33    46    40    41  10.50000 -1.0 2.0
   48    40    46    47   1.00000 -1.0 2.0
END
