* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    142    227     420
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   105.39792     0.90222
    3     1 S   H    _H1_     3     1.02092    47.21328   102.32632
    4     1 S   H    _H2_     4     1.02080    65.38466  -102.97027
    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     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   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     1.08639   110.43529    58.94977
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   _C8_    36     1.87251   100.17622   179.98022
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CA   _C9_    37     1.49632   111.35071   -79.97316
   38    33 S   CT   _C7_    67     1.56118   105.55666   155.74023
   39    38 S   HC   _H8_    68     1.09849   111.43021  -177.48791
   40    38 S   HC   _H9_    69     1.09626   110.56438    62.59076
   41    33 S   OH   _O40    79     1.44391   107.13369    43.63390
   42    41 S   HO   _H18    80     0.97245   108.07552    57.21513
   43    37 S   CA   _C10    38     1.39338   119.92279   150.69047
   44    38 S   CO4  _C6_    70     1.52882   113.82534   -58.40232
   45    44 S   O    _O33    71     1.23074   122.95443   -63.24016
   46    43 S   CA   _C11    39     1.39482   120.13861  -179.93744
   47    46 S   HA   _H10    40     1.08713   119.25727   180.00000
   48    43 S   CT   _C23    61     1.49456   120.98612     0.09279
   49    48 S   HC   _H16    62     1.10015   110.92898    31.40798
   50    48 S   HC   _H17    63     1.09976   110.91180   148.60322
   51    44 S   CT   _C5_    72     1.51488   116.52142   117.55074
   52    51 S   HC   _H6_    73     1.09594   108.33222    60.01383
   53    51 S   HC   _H7_    74     1.09428   109.16998   -56.21312
   54    46 S   CA   _C12    41     1.40043   119.97048     0.02798
   55    48 S   CO3  _C24    64     1.52794   109.53326   -90.00048
   56    55 S   O2Z  _O39    65     1.26421   115.14814  -177.88326
   57    55 S   O2Z  _O38    66     1.26317   115.18564     2.58430
   58    51 S   CT   _C4_    75     1.51513   110.74560  -178.90157
   59    58 S   HC   _H3_    76     1.09394   110.36889    60.11046
   60    58 S   HC   _H4_    77     1.09560   110.97219  -179.82196
   61    58 S   HC   _H5_    78     1.09399   111.30530   -60.02043
   62    54 S   CA   _C13    42     1.39637   119.88926    -0.03956
   63    37 S   CA   _C14    43     1.39523   119.99020   -29.22821
   64    62 S   CO4  _C15    46     1.47738   120.45791  -180.00000
   65    64 S   O    _O35    47     1.22503   120.62107   179.98022
   66    63 S   OH   _O34    44     1.36548   117.81882    -0.13706
   67    66 S   HO   _H11    45     0.96866   110.04669  -179.97202
   68    64 S   CA   _C16    48     1.47642   119.04403     0.02798
   69    68 S   CA   _C17    49     1.39637   120.49810    -0.02798
   70    69 S   CA   _C18    50     1.40003   119.94852   179.97202
   71    70 S   HA   _H12    51     1.08645   121.38850  -179.96044
   72    54 S   CO4  _C22    59     1.47642   119.61274   180.00000
   73    72 S   O    _O37    60     1.22504   120.54029     0.00000
   74    70 S   CA   _C19    52     1.39571   119.94285     0.05595
   75    74 S   HA   _H13    53     1.08608   119.86904  -179.96574
   76    74 S   CA   _C20    54     1.39338   120.11032    -0.03956
   77    76 S   HA   _H14    55     1.08649   119.42892  -179.96044
   78    68 S   CA   _C21    56     1.40043   119.61267  -180.00000
   79    78 S   OH   _O36    57     1.36310   123.01875     0.06256
   80    79 S   HO   _H15    58     0.96951   110.16355    -0.03956
  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
  15   2   1   1  19  12   5   4   4   1  13   8   4  12   4   7
   4   3   6   5   4  10   2   1   1   3   2   1   1  10   6   9
   3   1   1  11   9   8   4   3   1   5   3   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    63    38    39    40    44    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    46    62    63    66    48    38    39    40    44    45    51    41    42  
   35    36  
   36  
    0  
   43    46    47    54    62    63    66    67    64    48    49    50    55    38    39    40    44    41    42  
   39    40    44    45    51    52    53    58    41    42    43    63  
   40    44    45    51    41  
   44    45    51    41  
   42    43    44    63  
    0  
   46    47    54    62    63    66    72    48    49    50    55    56    57  
   45    51    52    53    58    59    60    61  
   51    52    53    58  
   47    54    62    63    64    69    72    73    48    49    50    55  
   54    62    72    48  
   49    50    55    56    57    54    63  
   50    55    56    57  
   55    56    57  
   52    53    58    59    60    61  
   53    58    59    60    61  
   58    59    60    61  
   62    63    66    64    65    68    69    70    72    73  
   56    57  
   57  
    0  
   59    60    61  
   60    61  
   61  
    0  
   63    66    67    64    65    68    69    78    72    73  
   66    67    64    65    68    72  
   65    68    69    70    76    78    79    72    66  
   68    69    78  
   67  
    0  
   69    70    71    74    76    77    78    79    80    72    73  
   70    71    74    75    76    78    79    72    73  
   71    74    75    76    77    78    72    73  
   74    75    76    72  
   73    74    78  
    0  
   75    76    77    78    79  
   76    77    78  
   77    78    79    80  
   78    79  
   79    80  
   80  
    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   0.547500   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.105000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.4200   0.0150   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   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   268.000  1.529
   33    41   320.000  1.410
   37    43   469.000  1.400
   37    63   469.000  1.400
   43    46   469.000  1.400
   43    48   317.000  1.510
   46    47   367.000  1.080
   46    54   469.000  1.400
   54    62   469.000  1.400
   54    72   310.000  1.470
   62    63   469.000  1.400
   62    64   310.000  1.470
   63    66   450.000  1.364
   66    67   553.000  0.945
   64    65   570.000  1.229
   64    68   310.000  1.470
   68    69   469.000  1.400
   68    78   469.000  1.400
   69    70   469.000  1.400
   69    72   310.000  1.470
   70    71   367.000  1.080
   70    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   450.000  1.364
   79    80   553.000  0.945
   72    73   570.000  1.229
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   317.000  1.522
   55    56   656.000  1.250
   55    57   656.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   317.000  1.522
   44    45   570.000  1.229
   44    51   317.000  1.522
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   41    42   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    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    80.00000  109.48900
   29    33    38    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    43    70.00000  120.00000
   33    37    63    70.00000  120.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    63.00000  111.10000
   33    41    42    55.00000  108.50000
   37    43    46    63.00000  120.00000
   37    43    48    70.00000  120.00000
   37    63    62    63.00000  120.00000
   37    63    66    70.00000  120.00000
   43    46    47    35.00000  120.00000
   43    46    54    63.00000  120.00000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    55    70.00000  106.62600
   46    54    62    63.00000  120.00000
   46    54    72    60.00000  119.52600
   54    46    47    35.00000  120.00000
   54    62    63    63.00000  120.00000
   54    62    64    60.00000  119.52600
   54    72    69    65.00000  116.00000
   54    72    73    75.00000  123.78400
   62    63    66    70.00000  120.00000
   62    64    65    75.00000  123.78400
   62    64    68    65.00000  116.00000
   63    37    43    63.00000  120.00000
   63    66    67    35.00000  113.00000
   64    62    63    60.00000  119.52600
   64    68    69    60.00000  119.52600
   64    68    78    60.00000  119.52600
   68    64    65    75.00000  123.78400
   68    69    70    63.00000  120.00000
   68    69    72    60.00000  119.52600
   68    78    76    63.00000  120.00000
   68    78    79    70.00000  120.00000
   69    70    71    35.00000  120.00000
   69    70    74    63.00000  120.00000
   69    72    73    75.00000  123.78400
   70    74    75    35.00000  120.00000
   70    74    76    63.00000  120.00000
   74    70    71    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    70.00000  120.00000
   78    68    69    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  113.00000
   72    54    62    60.00000  119.52600
   72    69    70    60.00000  119.52600
   48    43    46    70.00000  120.00000
   48    55    56    70.00000  117.00000
   48    55    57    70.00000  117.00000
   50    48    49    33.00000  107.80000
   55    48    49    35.00000  109.50000
   55    48    50    35.00000  109.50000
   57    55    56    80.00000  126.00000
   38    33    37    70.00000  112.17500
   38    44    45    80.00000  120.40000
   38    44    51    70.00000  116.00000
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    51    52    35.00000  109.50000
   44    51    53    35.00000  109.50000
   44    51    58    63.00000  111.10000
   51    44    45    80.00000  120.40000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   41    33    37    90.00000  112.51600
   41    33    38    50.00000  109.50000
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  -0.23050  1.0 1.0
   24    29    33    37   0.06200 -1.0 2.0
   24    29    33    37   0.47200  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    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    43  -0.16000  1.0 1.0
   29    33    37    43  -0.03200 -1.0 2.0
   29    33    37    43   0.04500  1.0 3.0
   29    33    37    63  -0.16000  1.0 1.0
   29    33    37    63  -0.03200 -1.0 2.0
   29    33    37    63   0.04500  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    46   3.62500 -1.0 2.0
   33    37    43    48   3.62500 -1.0 2.0
   33    37    63    62   3.62500 -1.0 2.0
   33    37    63    66   3.62500 -1.0 2.0
   33    38    44    45   0.30150 -1.0 2.0
   33    38    44    51   0.60050  1.0 1.0
   33    38    44    51   0.05600 -1.0 2.0
   33    38    44    51   0.26150  1.0 3.0
   37    33    38    39   0.43200  1.0 3.0
   37    33    38    40   0.43200  1.0 3.0
   37    33    38    44   0.56750  1.0 1.0
   37    33    38    44  -0.07550 -1.0 2.0
   37    33    38    44   0.20000  1.0 3.0
   37    33    41    42   0.31900  1.0 1.0
   37    33    41    42  -0.11800 -1.0 2.0
   37    33    41    42   0.38750  1.0 3.0
   37    43    46    47   3.62500 -1.0 2.0
   37    43    46    54   3.62500 -1.0 2.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43    48    55   0.04300 -1.0 2.0
   37    63    66    67   0.84100 -1.0 2.0
   43    37    63    62   3.62500 -1.0 2.0
   43    37    63    66   3.62500 -1.0 2.0
   43    46   -54    62   3.62500 -1.0 2.0
   43    46    54    72   3.62500 -1.0 2.0
   43    48    55    56   0.30150 -1.0 2.0
   43    48    55    57   0.30150 -1.0 2.0
   46    43    48    49   0.00000  1.0 1.0
   46    43    48    50   0.00000  1.0 1.0
   46    43    48    55   0.04300 -1.0 2.0
   46    54    62    63   3.62500 -1.0 2.0
   46    54    62    64   3.62500 -1.0 2.0
   46    54    72    69   0.56600 -1.0 2.0
   46    54    72    73   1.05000 -1.0 2.0
   47    46    54    62   3.62500 -1.0 2.0
   47    46    54    72   3.62500 -1.0 2.0
   54    62   -63    37   3.62500 -1.0 2.0
   54    62    63    66   3.62500 -1.0 2.0
   54    62    64    65   1.05000 -1.0 2.0
   54    62    64    68   0.56600 -1.0 2.0
   62    54    72    69   0.56600 -1.0 2.0
   62    54    72    73   1.05000 -1.0 2.0
   62    63    66    67   0.84100 -1.0 2.0
   62    64   -68    69   0.56600 -1.0 2.0
   62    64    68    78   0.56600 -1.0 2.0
   63    37   -43    46   3.62500 -1.0 2.0
   63    37    43    48   3.62500 -1.0 2.0
   63    62    64    65   1.05000 -1.0 2.0
   63    62    64    68   0.56600 -1.0 2.0
   64    62    63    37   3.62500 -1.0 2.0
   64    62    63    66   3.62500 -1.0 2.0
   64    68    69    70   3.62500 -1.0 2.0
   64    68    69    72   3.62500 -1.0 2.0
   64    68    78    76   3.62500 -1.0 2.0
   64    68    78    79   3.62500 -1.0 2.0
   65    64    68    69   1.05000 -1.0 2.0
   65    64    68    78   1.05000 -1.0 2.0
   68    69    70    71   3.62500 -1.0 2.0
   68    69    70    74   3.62500 -1.0 2.0
   68    69   -72    54   0.56600 -1.0 2.0
   68    69    72    73   1.05000 -1.0 2.0
   68    78    79    80   0.84100 -1.0 2.0
   69    68    78    76   3.62500 -1.0 2.0
   69    68    78    79   3.62500 -1.0 2.0
   69    70    74    75   3.62500 -1.0 2.0
   69    70   -74    76   3.62500 -1.0 2.0
   70    69    72    54   0.56600 -1.0 2.0
   70    69    72    73   1.05000 -1.0 2.0
   70    74    76    77   3.62500 -1.0 2.0
   70    74    76    78   3.62500 -1.0 2.0
   71    70    74    75   3.62500 -1.0 2.0
   71    70    74    76   3.62500 -1.0 2.0
   74    76   -78    68   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    78    79    80   0.84100 -1.0 2.0
   77    76    78    68   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    68   -69    70   3.62500 -1.0 2.0
   78    68    69    72   3.62500 -1.0 2.0
   72    54    62    63   3.62500 -1.0 2.0
   72    54   -62    64   3.62500 -1.0 2.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    74   3.62500 -1.0 2.0
   48    43    46    47   3.62500 -1.0 2.0
   48    43    46    54   3.62500 -1.0 2.0
   49    48    55    56   0.00000  1.0 1.0
   49    48    55    57   0.00000  1.0 1.0
   50    48    55    56   0.00000  1.0 1.0
   50    48    55    57   0.00000  1.0 1.0
   38    33    37    43   0.04150 -1.0 2.0
   38    33    37    63   0.04150 -1.0 2.0
   38    33    41    42  -0.11600  1.0 1.0
   38    33    41    42  -0.09450 -1.0 2.0
   38    33    41    42   0.21250  1.0 3.0
   38    44    51    52   0.00000  1.0 1.0
   38    44    51    53   0.00000  1.0 1.0
   38    44    51    58   0.60050  1.0 1.0
   38    44    51    58   0.05600 -1.0 2.0
   38    44    51    58   0.26150  1.0 3.0
   39    38    44    45   0.00000  1.0 1.0
   39    38    44    51   0.00000  1.0 1.0
   40    38    44    45   0.00000  1.0 1.0
   40    38    44    51   0.00000  1.0 1.0
   44    51    58    59  -0.11250  1.0 3.0
   44    51    58    60  -0.11250  1.0 3.0
   44    51    58    61  -0.11250  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   45    44    51    58   0.30150 -1.0 2.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    61   0.15000  1.0 3.0
   41    33    37    43   0.14300 -1.0 2.0
   41    33    37    43   0.00300  1.0 3.0
   41    33    37    63   0.14300 -1.0 2.0
   41    33    37    63   0.00300  1.0 3.0
   41    33    38    39   0.23400  1.0 3.0
   41    33    38    40   0.23400  1.0 3.0
   41    33    38    44  -0.09450  1.0 1.0
   41    33    38    44  -1.12950 -1.0 2.0
   41    33    38    44   0.54000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   43    63    37    33   4.00000 -1.0 2.0
   46    48    43    37   4.00000 -1.0 2.0
   54    47    46    43   1.10000 -1.0 2.0
   62    72    54    46   4.00000 -1.0 2.0
   63    64    62    54   4.00000 -1.0 2.0
   62    66    63    37   4.00000 -1.0 2.0
   62    68    64    65  10.50000 -1.0 2.0
   69    78    68    64   4.00000 -1.0 2.0
   70    72    69    68   4.00000 -1.0 2.0
   74    71    70    69   1.10000 -1.0 2.0
   76    75    74    70   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    68   4.00000 -1.0 2.0
   54    69    72    73  10.50000 -1.0 2.0
   56    48    55    57  10.50000 -1.0 2.0
   38    51    44    45  10.50000 -1.0 2.0
END
