* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    153    256     464
    1     0 S   NP   _N1_     1    28.82096    93.78571   -22.28318
    2     1 S   H    _HN1     2     1.02779    99.91687   -71.67200
    3     1 S   H    _H1_     3     1.02961    88.19076    36.61868
    4     1 S   H    _H2_     4     1.02837    24.73216   176.88869
    5     1 S   CT   _CA1     5     1.50115   133.98697   153.65409
    6     5 S   HC   _HA1     6     1.09575   105.23606    69.31105
    7     5 S   CO3  _C1_     7     1.53775   112.38476   -50.90384
    8     7 S   O2Z  _O11     8     1.26356   114.99781   -44.28270
    9     7 S   O2Z  _O12     9     1.26237   114.91726   134.91774
   10     5 S   CT   _CB1    10     1.53097   107.43526  -172.79279
   11    10 S   HC   HB11    11     1.09826   109.30927   -51.02226
   12    10 S   HC   HB12    12     1.09823   110.43264    65.51014
   13    10 S   CT   _CG1    13     1.53024   112.68905  -172.13608
   14    13 S   HC   HG11    14     1.09593   110.44318   -64.06080
   15    13 S   HC   HG12    15     1.09650   110.00005    55.18557
   16    13 S   C    _CD1    16     1.51798   112.27256   175.51834
   17    16 S   O    _OE1    17     1.22769   123.22292    -1.59225
   18    16 S   N    _N2_    18     1.38690   111.69604   178.39185
   19    18 S   H    _HN2    19     1.01604   119.07136    -0.74939
   20    18 S   CT1  _CA2    20     1.46142   123.19935   179.83807
   21    20 S   HC   _HA2    21     1.09563   108.77691   -20.43791
   22    20 S   C    _C2_    22     1.53451   108.57368  -135.39626
   23    22 S   O    _O2_    23     1.23012   122.20282  -147.81906
   24    20 S   CT   _CB2    32     1.53572   112.07118   102.16892
   25    24 S   HC   HB21    33     1.09655   109.44664    60.07716
   26    24 S   HC   HB22    34     1.09531   111.03639   177.36285
   27    22 S   N    _N3_    24     1.38507   113.34414    39.76521
   28    27 S   H    _HN3    25     1.01534   118.90625    -0.72253
   29    24 S   S    _SG2    35     1.82866   114.41190   -59.41908
   30    27 S   CT   _CA3    26     1.45452   123.49154   174.72018
   31    30 S   HC   HA31    27     1.09518   109.29228    23.36330
   32    30 S   HC   HA32    28     1.09495   107.11573   140.41627
   33    29 S   CT   _C20    36     1.82915   100.16961   -73.05886
   34    33 S   HC   _H6_    37     1.09376   108.49400    43.65042
   35    30 S   CO3  _C3_    29     1.52934   113.05360  -100.12099
   36    35 S   O2Z  _O31    30     1.26408   115.39855   -43.79424
   37    35 S   O2Z  _O32    31     1.26349   114.98079   137.09145
   38    33 S   CT   _C19    38     1.54622   112.39822   -78.54710
   39    38 S   HC   _H22    39     1.09653   109.73176   127.94899
   40    38 S   HC   _H23    40     1.09500   113.90264     7.96067
   41    33 S   CT   _C21    69     1.55091   109.86169   163.73127
   42    41 S   HC   _H7_    70     1.09778   111.81352    26.84927
   43    38 S   CT   _C18    41     1.52885   104.07280  -113.69241
   44    43 S   HC   _H5_    42     1.10298   105.92643    80.46649
   45    41 S   OH   _O33    71     1.41788   111.68425   -93.82407
   46    45 S   HO   _H24    72     0.97399   107.51940    50.30024
   47    43 S   CT   _C17    43     1.52903   119.22029  -159.27964
   48    47 S   HC   _H4_    44     1.09765   109.49426    63.14840
   49    47 S   CT   _C16    45     1.52987   112.59773   -56.32737
   50    49 S   HC   _H20    46     1.09560   111.30040    53.65187
   51    49 S   HC   _H21    47     1.09769   110.05483   -64.68842
   52    47 S   CT   _C8_    60     1.55888   108.70674  -177.14405
   53    52 S   HC   _H3_    61     1.10118   107.54295    62.23056
   54    49 S   CT   _C15    48     1.52562   109.83898   174.15829
   55    54 S   HC   _H18    49     1.09764   108.97075   -75.45765
   56    54 S   HC   _H19    50     1.09679   108.58932   167.81448
   57    52 S   CT   _C7_    62     1.55232   111.21021   -53.70103
   58    57 S   HC   _H13    63     1.09664   109.76699   -73.24854
   59    57 S   HC   _H14    64     1.09615   110.20297   170.24414
   60    54 S   CA   _C14    51     1.50959   114.06483    45.03941
   61    57 S   CT   _C6_    65     1.54063   113.57593    50.30746
   62    61 S   HC   _H11    66     1.09792   108.27462    69.40577
   63    61 S   HC   _H12    67     1.09663   109.63564  -175.08402
   64    60 S   CA   _C13    52     1.40638   117.68385   167.65438
   65    64 S   HA   _H17    53     1.08741   119.66319    -0.97759
   66    43 S   CT   _C5_    68     1.54185   103.71427   -33.73469
   67    64 S   CA   _C12    54     1.39083   120.26966   179.15073
   68    66 S   CT   _C4_    73     1.55024   114.81897   -70.10629
   69    68 S   HC   _H8_    74     1.09431   112.57441    59.93635
   70    68 S   HC   _H9_    75     1.09313   112.75106   -61.02049
   71    68 S   HC   _H10    76     1.09628   110.58365   179.61948
   72    67 S   CA   _C11    55     1.38677   120.47690     0.00000
   73    72 S   HA   _H16    56     1.08628   120.54215   179.31557
   74    67 S   OH   _O34    77     1.36562   121.20510   179.76261
   75    74 S   HO   _H25    78     0.97234   108.59363     0.16669
   76    72 S   CA   _C10    57     1.39626   119.63722    -0.41965
   77    76 S   HA   _H15    58     1.08589   117.49875   178.88180
   78    60 S   CA   _C9_    59     1.41323   122.29800   -14.74424
  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
  14   8   2   1   1  14   6   5  15   6  20   7   4   1  18   9
  12   6   5  15   7   8   4   3  10   6   5   8   8   3   2   8
   4   4   7   3   2   1   1   6   4   2   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    66    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    47    61    66    41    42    45    46    68  
   38    39    40    43    66    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    47    48    49    52    61    66    41    42    45    68  
   40    43    44    47    66    41  
   43    44    47    66    41  
   42    45    46    68    69    70    71    43    44    47    57    61    62    63    66  
   45    46    68    43    61    66  
   44    47    48    49    50    51    54    78    52    53    57    61    62    63    66    45    68    69    70    71  
   47    48    49    52    61    66    68  
   46    68    61    66  
   66  
   48    49    50    51    54    55    56    60    76    78    52    53    57    58    59    61    66    68  
   49    50    51    54    78    52    53    57    66  
   50    51    54    55    56    60    64    78    52    53    57    66  
   51    54    55    56    60    52  
   54    55    56    60    52  
   53    57    58    59    61    62    63    66    54    60    64    72    76    77    78  
   57    58    59    61    60    76    78  
   55    56    60    64    65    67    76    78  
   56    60    64    78  
   60    64    78  
   58    59    61    62    63    66    68    60    76    78  
   59    61    62    63    66    78  
   61    62    63    66    78  
   64    65    67    72    76    77    78    74  
   62    63    66    68    69    70    71    78  
   63    66    68  
   66    68  
   65    67    72    73    76    78    74    75  
   67    72    78    74  
   68    69    70    71  
   72    73    76    77    78    74    75  
   69    70    71  
   70    71  
   71  
    0  
   73    76    77    78    74    75  
   76    77    78    74  
   75    76  
    0  
   77    78  
   78  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
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   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    66   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   317.000  1.510
   60    64   469.000  1.400
   60    78   469.000  1.400
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    72   469.000  1.400
   67    74   450.000  1.364
   72    73   367.000  1.080
   72    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    52   317.000  1.510
   52    53   340.000  1.090
   52    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   268.000  1.529
   66    41   268.000  1.529
   66    68   268.000  1.529
   41    42   340.000  1.090
   41    45   320.000  1.410
   45    46   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   74    75   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    66    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    47    58.35000  112.70000
   38    43    66    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    52    58.35000  112.70000
   43    66    61    58.35000  112.70000
   43    66    41    58.35000  112.70000
   43    66    68    58.35000  112.70000
   47    43    44    37.50000  110.70000
   47    49    50    37.50000  110.70000
   47    49    51    37.50000  110.70000
   47    49    54    58.35000  112.70000
   47    52    78    70.00000  112.17500
   47    52    53    37.50000  110.70000
   47    52    57    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    60    70.00000  112.17500
   51    49    50    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    37.50000  110.70000
   54    60    64    70.00000  120.00000
   54    60    78    70.00000  120.00000
   56    54    55    33.00000  107.80000
   60    54    55    35.00000  109.50000
   60    54    56    35.00000  109.50000
   60    64    65    35.00000  120.00000
   60    64    67    63.00000  120.00000
   60    78    76    63.00000  120.00000
   60    78    52    70.00000  120.00000
   64    67    72    63.00000  120.00000
   64    67    74    70.00000  120.00000
   67    64    65    35.00000  120.00000
   67    72    73    35.00000  120.00000
   67    72    76    63.00000  120.00000
   67    74    75    35.00000  113.00000
   72    76    77    35.00000  120.00000
   72    76    78    63.00000  120.00000
   76    72    73    35.00000  120.00000
   76    78    52    70.00000  120.00000
   78    60    64    63.00000  120.00000
   78    76    77    35.00000  120.00000
   78    52    53    35.00000  109.50000
   78    52    57    70.00000  112.17500
   52    47    48    37.50000  110.70000
   52    47    49    58.35000  112.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    61    58.35000  112.70000
   57    52    53    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    66    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    66    41    58.35000  112.70000
   61    66    68    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    43    44    37.50000  110.70000
   66    43    47    58.35000  112.70000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    41    42    37.50000  110.70000
   66    41    45    50.00000  109.50000
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    71    37.50000  110.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    55.00000  108.50000
   45    41    42    35.00000  109.50000
   68    66    41    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   74    67    72    70.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  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   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.56750  1.0 1.0
   29    33    41    45  -0.07550 -1.0 2.0
   29    33    41    45   0.20000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    47   0.56750  1.0 1.0
   33    38    43    47  -0.07550 -1.0 2.0
   33    38    43    47   0.20000  1.0 3.0
   33    38   -43    66   0.56750  1.0 1.0
   33    38   -43    66  -0.07550 -1.0 2.0
   33    38   -43    66   0.20000  1.0 3.0
   33    41    45    46  -0.11600  1.0 1.0
   33    41    45    46  -0.09450 -1.0 2.0
   33    41    45    46   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.23400  1.0 3.0
   38    33   -41    66   0.56750  1.0 1.0
   38    33   -41    66  -0.07550 -1.0 2.0
   38    33   -41    66   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.86500  1.0 1.0
   38    33    41    45  -0.17500 -1.0 2.0
   38    33    41    45   0.20800  1.0 3.0
   38    43    47    48   0.15000  1.0 3.0
   38    43    47    49   0.56750  1.0 1.0
   38    43    47    49  -0.07550 -1.0 2.0
   38    43    47    49   0.20000  1.0 3.0
   38    43    47    52   0.56750  1.0 1.0
   38    43    47    52  -0.07550 -1.0 2.0
   38    43    47    52   0.20000  1.0 3.0
   38    43    66    61   0.56750  1.0 1.0
   38    43    66    61  -0.07550 -1.0 2.0
   38    43    66    61   0.20000  1.0 3.0
   38    43   -66    41   0.56750  1.0 1.0
   38    43   -66    41  -0.07550 -1.0 2.0
   38    43   -66    41   0.20000  1.0 3.0
   38    43    66    68   0.56750  1.0 1.0
   38    43    66    68  -0.07550 -1.0 2.0
   38    43    66    68   0.20000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    47   0.15000  1.0 3.0
   39    38    43    66   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    47   0.15000  1.0 3.0
   40    38    43    66   0.15000  1.0 3.0
   43    47    49    50   0.15000  1.0 3.0
   43    47    49    51   0.15000  1.0 3.0
   43    47    49    54   0.56750  1.0 1.0
   43    47    49    54  -0.07550 -1.0 2.0
   43    47    49    54   0.20000  1.0 3.0
   43    47    52    78  -0.03700  1.0 1.0
   43    47    52    78   0.37200 -1.0 2.0
   43    47    52    78  -0.47300  1.0 3.0
   43    47    52    53   0.15000  1.0 3.0
   43    47    52    57   0.56750  1.0 1.0
   43    47    52    57  -0.07550 -1.0 2.0
   43    47    52    57   0.20000  1.0 3.0
   43    66   -41    33   0.56750  1.0 1.0
   43    66   -41    33  -0.07550 -1.0 2.0
   43    66   -41    33   0.20000  1.0 3.0
   43    66    41    42   0.15000  1.0 3.0
   43    66    41    45   0.86500  1.0 1.0
   43    66    41    45  -0.17500 -1.0 2.0
   43    66    41    45   0.20800  1.0 3.0
   43    66    68    69   0.15000  1.0 3.0
   43    66    68    70   0.15000  1.0 3.0
   43    66    68    71   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    52   0.15000  1.0 3.0
   44    43    66    61   0.15000  1.0 3.0
   44    43    66    41   0.15000  1.0 3.0
   44    43    66    68   0.15000  1.0 3.0
   47    43    66    61   0.56750  1.0 1.0
   47    43    66    61  -0.07550 -1.0 2.0
   47    43    66    61   0.20000  1.0 3.0
   47    43    66    41   0.56750  1.0 1.0
   47    43    66    41  -0.07550 -1.0 2.0
   47    43    66    41   0.20000  1.0 3.0
   47    43    66    68   0.56750  1.0 1.0
   47    43    66    68  -0.07550 -1.0 2.0
   47    43    66    68   0.20000  1.0 3.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49    54    60  -0.03700  1.0 1.0
   47    49    54    60   0.37200 -1.0 2.0
   47    49    54    60  -0.47300  1.0 3.0
   47    52    57    58   0.15000  1.0 3.0
   47    52    57    59   0.15000  1.0 3.0
   47    52   -57    61   0.56750  1.0 1.0
   47    52   -57    61  -0.07550 -1.0 2.0
   47    52   -57    61   0.20000  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    51   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    52    78   0.43200  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    57   0.15000  1.0 3.0
   49    47    52    78  -0.03700  1.0 1.0
   49    47    52    78   0.37200 -1.0 2.0
   49    47    52    78  -0.47300  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    57   0.56750  1.0 1.0
   49    47    52    57  -0.07550 -1.0 2.0
   49    47    52    57   0.20000  1.0 3.0
   49    54    60    64   0.04150 -1.0 2.0
   49    54   -60    78   0.04150 -1.0 2.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    60   0.43200  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    60   0.43200  1.0 3.0
   54    60    64    65   3.62500 -1.0 2.0
   54    60    64    67   3.62500 -1.0 2.0
   54    60    78    76   3.62500 -1.0 2.0
   54    60    78    52   3.62500 -1.0 2.0
   55    54    60    64   0.00000  1.0 1.0
   55    54    60    78   0.00000  1.0 1.0
   56    54    60    64   0.00000  1.0 1.0
   56    54    60    78   0.00000  1.0 1.0
   60    64    67    72   3.62500 -1.0 2.0
   60    64    67    74   3.62500 -1.0 2.0
   60    78   -52    47   0.04150 -1.0 2.0
   60    78    52    53   0.00000  1.0 1.0
   60    78    52    57   0.04150 -1.0 2.0
   64    60    78    76   3.62500 -1.0 2.0
   64    60    78    52   3.62500 -1.0 2.0
   64    67    72    73   3.62500 -1.0 2.0
   64    67   -72    76   3.62500 -1.0 2.0
   64    67    74    75   0.84100 -1.0 2.0
   65    64    67    72   3.62500 -1.0 2.0
   65    64    67    74   3.62500 -1.0 2.0
   67    72    76    77   3.62500 -1.0 2.0
   67    72    76    78   3.62500 -1.0 2.0
   72    67    74    75   0.84100 -1.0 2.0
   72    76   -78    60   3.62500 -1.0 2.0
   72    76    78    52   3.62500 -1.0 2.0
   73    72    76    77   3.62500 -1.0 2.0
   73    72    76    78   3.62500 -1.0 2.0
   76    78    52    47   0.04150 -1.0 2.0
   76    78    52    53   0.00000  1.0 1.0
   76    78    52    57   0.04150 -1.0 2.0
   77    76    78    60   3.62500 -1.0 2.0
   77    76    78    52   3.62500 -1.0 2.0
   78    60    64    65   3.62500 -1.0 2.0
   78    60   -64    67   3.62500 -1.0 2.0
   78    52    57    58   0.43200  1.0 3.0
   78    52    57    59   0.43200  1.0 3.0
   78    52    57    61  -0.03700  1.0 1.0
   78    52    57    61   0.37200 -1.0 2.0
   78    52    57    61  -0.47300  1.0 3.0
   52    47    49    50   0.15000  1.0 3.0
   52    47    49    51   0.15000  1.0 3.0
   52    47   -49    54   0.56750  1.0 1.0
   52    47   -49    54  -0.07550 -1.0 2.0
   52    47   -49    54   0.20000  1.0 3.0
   52    57    61    62   0.15000  1.0 3.0
   52    57    61    63   0.15000  1.0 3.0
   52    57    61    66   0.56750  1.0 1.0
   52    57    61    66  -0.07550 -1.0 2.0
   52    57    61    66   0.20000  1.0 3.0
   53    52    57    58   0.15000  1.0 3.0
   53    52    57    59   0.15000  1.0 3.0
   53    52    57    61   0.15000  1.0 3.0
   57    61   -66    43   0.56750  1.0 1.0
   57    61   -66    43  -0.07550 -1.0 2.0
   57    61   -66    43   0.20000  1.0 3.0
   57    61    66    41   0.56750  1.0 1.0
   57    61    66    41  -0.07550 -1.0 2.0
   57    61    66    41   0.20000  1.0 3.0
   57    61    66    68   0.56750  1.0 1.0
   57    61    66    68  -0.07550 -1.0 2.0
   57    61    66    68   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    66   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    63   0.15000  1.0 3.0
   59    57    61    66   0.15000  1.0 3.0
   61    66    41    33   0.56750  1.0 1.0
   61    66    41    33  -0.07550 -1.0 2.0
   61    66    41    33   0.20000  1.0 3.0
   61    66    41    42   0.15000  1.0 3.0
   61    66    41    45   0.86500  1.0 1.0
   61    66    41    45  -0.17500 -1.0 2.0
   61    66    41    45   0.20800  1.0 3.0
   61    66    68    69   0.15000  1.0 3.0
   61    66    68    70   0.15000  1.0 3.0
   61    66    68    71   0.15000  1.0 3.0
   62    61    66    43   0.15000  1.0 3.0
   62    61    66    41   0.15000  1.0 3.0
   62    61    66    68   0.15000  1.0 3.0
   63    61    66    43   0.15000  1.0 3.0
   63    61    66    41   0.15000  1.0 3.0
   63    61    66    68   0.15000  1.0 3.0
   66    43    47    48   0.15000  1.0 3.0
   66    43    47    49   0.56750  1.0 1.0
   66    43    47    49  -0.07550 -1.0 2.0
   66    43    47    49   0.20000  1.0 3.0
   66    43   -47    52   0.56750  1.0 1.0
   66    43   -47    52  -0.07550 -1.0 2.0
   66    43   -47    52   0.20000  1.0 3.0
   66    41    45    46  -0.11600  1.0 1.0
   66    41    45    46  -0.09450 -1.0 2.0
   66    41    45    46   0.21250  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33   -38    43   0.56750  1.0 1.0
   41    33   -38    43  -0.07550 -1.0 2.0
   41    33   -38    43   0.20000  1.0 3.0
   41    66    68    69   0.15000  1.0 3.0
   41    66    68    70   0.15000  1.0 3.0
   41    66    68    71   0.15000  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   68    66    41    33   0.56750  1.0 1.0
   68    66    41    33  -0.07550 -1.0 2.0
   68    66    41    33   0.20000  1.0 3.0
   68    66    41    42   0.15000  1.0 3.0
   68    66    41    45   0.86500  1.0 1.0
   68    66    41    45  -0.17500 -1.0 2.0
   68    66    41    45   0.20800  1.0 3.0
   74    67    72    73   3.62500 -1.0 2.0
   74    67    72    76   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   64    78    60    54   4.00000 -1.0 2.0
   67    65    64    60   1.10000 -1.0 2.0
   72    74    67    64   4.00000 -1.0 2.0
   76    73    72    67   1.10000 -1.0 2.0
   78    77    76    72   1.10000 -1.0 2.0
   76    52    78    60   4.00000 -1.0 2.0
END
