* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    144    230     418
    1     0 S   NP   _N1_     1    28.41685    95.98217   -23.01226
    2     1 S   H    _HN1     2     1.02782   103.05400  -103.03665
    3     1 S   H    _H1_     3     1.02957    79.51912     3.53812
    4     1 S   H    _H2_     4     1.02833    31.61924   153.93956
    5     1 S   CT   _CA1     5     1.50126   136.90744   112.24602
    6     5 S   HC   _HA1     6     1.09574   105.22194    81.07903
    7     5 S   CO3  _C1_     7     1.53783   112.40207   -39.13965
    8     7 S   O2Z  _O11     8     1.26365   115.00255   -43.49733
    9     7 S   O2Z  _O12     9     1.26238   114.93310   135.64165
   10     5 S   CT   _CB1    10     1.53085   107.41215  -160.99481
   11    10 S   HC   HB11    11     1.09829   109.33132   -50.48721
   12    10 S   HC   HB12    12     1.09817   110.41665    66.06118
   13    10 S   CT   _CG1    13     1.53018   112.68921  -171.56050
   14    13 S   HC   HG11    14     1.09591   110.50950   -64.44572
   15    13 S   HC   HG12    15     1.09656   109.91857    54.78327
   16    13 S   C    _CD1    16     1.51817   112.27276   175.15556
   17    16 S   O    _OE1    17     1.22737   123.23696     0.80454
   18    16 S   N    _N2_    18     1.38576   111.70778  -179.19716
   19    18 S   H    _HN2    19     1.01553   119.07654     3.61400
   20    18 S   CT1  _CA2    20     1.46000   122.88346   178.10948
   21    20 S   HC   _HA2    21     1.09650   110.01697    21.77134
   22    20 S   C    _C2_    22     1.52716   104.41211   -95.85437
   23    22 S   O    _O2_    23     1.23056   122.43770   -81.01072
   24    20 S   CT   _CB2    32     1.53267   111.72954   145.20945
   25    24 S   HC   HB21    33     1.09533   110.23841    51.30894
   26    24 S   HC   HB22    34     1.09348   109.43124   169.79475
   27    22 S   N    _N3_    24     1.38458   113.13611    94.29512
   28    27 S   H    _HN3    25     1.01701   120.15690     1.39241
   29    24 S   S    _SG2    35     1.83007   110.71797   -68.31768
   30    27 S   CT   _CA3    26     1.45337   122.35710  -178.00905
   31    30 S   HC   HA31    27     1.09571   107.42297   -63.07143
   32    30 S   HC   HA32    28     1.09576   107.92347    53.14645
   33    29 S   CT   _C7_    36     1.88526   101.78641  -159.48631
   34    30 S   CO3  _C3_    29     1.52856   114.64385   175.03675
   35    34 S   O2Z  _O31    30     1.26293   116.21233    -4.67822
   36    34 S   O2Z  _O32    31     1.26480   114.34651   175.54332
   37    33 S   CM   _C12    37     1.54335   109.38919    63.80555
   38    33 S   CM   _C6_    73     1.53954   104.96300  -174.33369
   39    38 S   HC   _H10    74     1.09045   115.71872    39.94699
   40    37 S   N4   _N4_    38     1.36418   118.38804  -145.05770
   41    37 S   CMA  _C13    70     1.53532   121.67686    43.73109
   42    41 S   OM   _O34    71     1.26426   119.81640  -114.90251
   43    41 S   OM   _O35    72     1.26261   121.78876    65.80638
   44    38 S   CM   _C5_    75     1.34421   127.48623  -143.29936
   45    44 S   HC   _H9_    76     1.08604   120.31949     1.13021
   46    40 S   C4   _C11    39     1.35212   137.04207  -159.64185
   47    46 S   O    _O33    40     1.20885   134.79394    -2.14430
   48    40 S   C4T  _C9_    43     1.45052   125.99537    27.11547
   49    48 S   HC   _H3_    44     1.09793   111.87765    75.19643
   50    44 S   CT   _C4_    77     1.49298   123.80932  -178.68851
   51    50 S   HC   _H6_    78     1.09424   109.85868  -120.49446
   52    50 S   HC   _H7_    79     1.09447   112.38267    -0.03956
   53    50 S   HC   _H8_    80     1.09390   109.90194   120.43024
   54    46 S   C4T  _C10    41     1.56164    89.60293   173.08341
   55    54 S   HC   _H4_    42     1.09589   112.63503   125.55239
   56    48 S   S    _S1_    45     1.80791   110.97210   -52.43534
   57    33 S   CT   _C8_    46     1.55649   107.22923   -61.81798
   58    57 S   HC   _H11    47     1.09696   111.68421   -67.91604
   59    57 S   HC   _H12    48     1.09406   112.23321    52.03873
   60    54 S   N    _N5_    49     1.47962   112.99657  -106.25100
   61    60 S   H    _H13    50     1.01729   118.93041    12.02074
   62    60 S   C    _C14    51     1.38990   122.74193  -171.46466
   63    62 S   O    _O36    52     1.22936   123.96673     2.91202
   64    62 S   CT1  _C15    53     1.53058   112.23914  -176.30022
   65    64 S   HC   _H5_    54     1.09753   107.94093   -42.37736
   66    64 S   CA   _C16    55     1.51567   110.74941    77.99838
   67    64 S   NT   _N6_    67     1.46652   108.96101  -158.42908
   68    67 S   H    _H19    68     1.01926   109.39938   174.48051
   69    67 S   H    _H20    69     1.01936   109.51298    58.41871
   70    66 S   CA   _C17    56     1.40369   119.95207  -113.21835
   71    70 S   HA   _H14    57     1.08732   120.50108    -1.19975
   72    70 S   CA   _C18    58     1.39563   120.62287   178.39648
   73    72 S   HA   _H15    59     1.08624   119.84419  -179.84805
   74    72 S   CA   _C19    60     1.39104   119.67100    -0.15451
   75    74 S   CA   _C20    61     1.39198   120.74186     0.14402
   76    75 S   HA   _H16    62     1.08592   121.03391  -179.83568
   77    74 S   OH   _O37    65     1.36617   118.18370  -179.77445
   78    77 S   HO   _H18    66     0.97240   108.53236   179.58646
   79    66 S   CA   _C21    63     1.40516   121.28338    65.02264
   80    79 S   HA   _H17    64     1.08776   120.30157     1.16197
  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  11   5   4   3
  16   2   1   1  16  13   4  12   5   1   1   6   4   9   4  10
   5   3   2   1   1   8   4   4   2   1   1   7   3   9   4  11
   6  12   4   1   1   8   4   7   3   6   5   3   2   1   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    57    58    59    41    38    39    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    46    48    56    57    58    59    41    42    43    38    39    44    45    50  
   35    36  
   36  
    0  
   40    46    47    54    48    49    56    57    58    59    41    42    43    38    39    44  
   39    44    45    50    51    52    53    40    41    56    57    58    59  
   44    45    50    57  
   46    47    54    55    48    49    56    57    60    41    42    43  
   42    43    46    48    57  
   43  
    0  
   45    50    51    52    53    57  
   50    51    52    53  
   47    54    55    48    49    56    60    61    62  
   54    55    48    60  
   49    56    57    58    59    60    61    62    54    55  
   56    57    60    54    55  
   51    52    53  
   52    53  
   53  
    0  
   55    56    57    60    61    62    63    64  
   56    60    61    62  
   57    58    59    60  
   58    59  
   59  
    0  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64    65    66    70    79    67    68    69  
   64    65    66    67  
   65    66    70    71    72    75    79    80    67    68    69  
   66    70    79    67    68    69  
   70    71    72    73    74    75    76    79    80    67    68    69  
   68    69    70    79  
   69  
    0  
   71    72    73    74    75    79    80    77  
   72    73    74    79  
   73    74    75    76    79    77    78  
   74    75    77  
   75    76    79    80    77    78  
   76    79    80    77    78  
   79    80    77  
   78    79  
    0  
   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   0.167500   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  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   57   3.5000   0.0660   0.047500   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   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   61   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   62   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.5000   0.0660   0.278900   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   69   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    57   268.000  1.529
   33    38   317.000  1.510
   37    40   400.000  1.384
   37    41   465.000  1.376
   40    46   440.000  1.369
   40    48   305.000  1.456
   46    47   930.000  1.212
   46    54   250.000  1.540
   54    55   340.000  1.090
   54    48   268.000  1.529
   54    60   337.000  1.449
   48    49   340.000  1.090
   48    56   200.000  1.824
   56    57   222.000  1.810
   57    58   340.000  1.090
   57    59   340.000  1.090
   60    61   434.000  1.010
   60    62   490.000  1.335
   62    63   570.000  1.229
   62    64   317.000  1.522
   64    65   340.000  1.090
   64    66   275.000  1.474
   64    67   305.000  1.457
   66    70   469.000  1.400
   66    79   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   469.000  1.400
   74    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   77    78   553.000  0.945
   67    68   434.000  1.010
   67    69   434.000  1.010
   41    42   745.000  1.250
   41    43   745.000  1.250
   38    39   340.000  1.080
   38    44   549.000  1.340
   44    45   340.000  1.080
   44    50   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    57    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  113.82800
   33    37    41    70.00000  124.00000
   33    57    56    75.00000  111.63000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    38    39    35.00000  117.00000
   33    38    44    70.00000  124.00000
   37    40    46    50.00000  132.10000
   37    40    48    50.00000  132.70000
   37    41    42    65.00000  137.10300
   37    41    43    65.00000  137.10300
   40    46    47    75.00000  131.60000
   40    46    54    95.00000   92.72400
   40    48    54   105.00000   87.49700
   40    48    49    50.00000  112.01000
   40    48    56    80.00000  108.62000
   46    54    55    40.00000  113.37500
   46    54    48   100.00000   86.36000
   46    54    60    75.00000  110.24000
   54    46    47    60.00000  136.58000
   54    48    49    37.50000  110.70000
   54    48    56    65.00000  119.05700
   54    60    61    38.00000  118.40000
   54    60    62    50.00000  121.90000
   48    40    46   100.00000   93.00000
   48    54    55    37.50000  110.70000
   48    56    57    85.00000   99.86700
   56    48    49    45.00000  109.41400
   56    57    58    35.00000  109.50000
   56    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    54    55    50.00000  112.01000
   60    54    48    80.00000  110.05700
   60    62    63    80.00000  122.90000
   60    62    64    70.00000  116.60000
   62    60    61    35.00000  119.80000
   62    64    65    35.00000  109.50000
   62    64    66    70.00000  102.60000
   62    64    67    75.00000  111.54000
   64    62    63    80.00000  120.40000
   64    66    70    60.00000  125.54000
   64    66    79    60.00000  125.54000
   64    67    68    50.00000  111.55300
   64    67    69    50.00000  111.55300
   66    64    65    45.00000  110.88000
   66    70    71    35.00000  120.00000
   66    70    72    63.00000  120.00000
   66    79    75    63.00000  120.00000
   66    79    80    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    63.00000  120.00000
   72    74    77    70.00000  120.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    79    63.00000  120.00000
   74    77    78    35.00000  113.00000
   75    79    80    35.00000  120.00000
   79    66    70    63.00000  120.00000
   79    75    76    35.00000  120.00000
   77    74    75    70.00000  120.00000
   67    64    65    50.00000  109.55000
   67    64    66    75.00000  112.33000
   69    67    68    43.60000  106.40000
   41    37    40    75.00000  120.83300
   43    41    42    65.00000  121.00000
   38    33    37    70.00000  110.12100
   38    33    57    70.00000  112.02700
   38    44    45    35.00000  120.00000
   38    44    50    70.00000  124.00000
   44    38    39    35.00000  120.00000
   44    50    51    35.00000  109.50000
   44    50    52    35.00000  109.50000
   44    50    53    35.00000  109.50000
   50    44    45    35.00000  117.00000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.09700  1.0 1.0
   29    33    37    40   0.15600 -1.0 2.0
   29    33    37    40  -0.50800  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    57    56   0.56750  1.0 1.0
   29    33    57    56  -0.07550 -1.0 2.0
   29    33    57    56   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    44   0.42700  1.0 1.0
   29    33    38    44  -0.70350 -1.0 2.0
   29    33    38    44  -0.43150  1.0 3.0
   33    37    40    46   0.00000  1.0 1.0
   33    37    40    48   0.00000  1.0 1.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    43   7.00000 -1.0 2.0
   33    38    44    45   7.00000 -1.0 2.0
   33    38    44    50   7.00000 -1.0 2.0
   37    33    57    56   0.56750  1.0 1.0
   37    33    57    56  -0.07550 -1.0 2.0
   37    33    57    56   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    44  -0.28300  1.0 1.0
   37    33    38    44   0.26700 -1.0 2.0
   37    33    38    44  -0.63300  1.0 3.0
   37    40    46    47   3.00000 -1.0 2.0
   37    40    46    54   3.00000 -1.0 2.0
   37    40   -48    54   0.00000  1.0 1.0
   37    40    48    49   0.00000  1.0 1.0
   37    40   -48    56   0.00000  1.0 1.0
   40    37    41    42   7.00000 -1.0 2.0
   40    37    41    43   7.00000 -1.0 2.0
   40    46    54    55   0.00000  1.0 1.0
   40    46   -54    48   3.00000 -1.0 2.0
   40    46    54    60   0.00000  1.0 1.0
   40    48    56    57   0.01700  1.0 1.0
   40    48    56    57  -0.23550 -1.0 2.0
   40    48    56    57   0.21350  1.0 3.0
   46    40   -48    54   0.00000  1.0 1.0
   46    40    48    49   0.00000  1.0 1.0
   46    40    48    56   0.00000  1.0 1.0
   46    54   -48    40   3.00000 -1.0 2.0
   46    54   -48    49   0.15000  1.0 3.0
   46    54   -48    56   0.00000  1.0 1.0
   46    54    60    61   0.00000  1.0 1.0
   46    54    60    62  -0.42300  1.0 1.0
   46    54    60    62  -0.07000 -1.0 2.0
   46    54    60    62   0.04150  1.0 3.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    48  -0.11250  1.0 1.0
   47    46    54    48   0.11400 -1.0 2.0
   47    46    54    48  -0.28950  1.0 3.0
   47    46    54    60   0.30150 -1.0 2.0
   54    48    56    57   0.25150  1.0 1.0
   54    48    56    57  -1.17200 -1.0 2.0
   54    48    56    57   0.53050  1.0 3.0
   54    60    62    63   3.04450 -1.0 2.0
   54    60    62    64   1.15000  1.0 1.0
   54    60    62    64   3.04450 -1.0 2.0
   55    54   -48    40   0.15000  1.0 3.0
   55    54    48    49   0.15000  1.0 3.0
   55    54    48    56   0.00000  1.0 1.0
   55    54    60    61   0.00000  1.0 1.0
   55    54    60    62   0.00000  1.0 1.0
   48    40   -46    47   3.00000 -1.0 2.0
   48    40   -46    54   3.00000 -1.0 2.0
   48    54    60    61   0.00000  1.0 1.0
   48    54    60    62  -0.43950  1.0 1.0
   48    54    60    62  -0.08100 -1.0 2.0
   48    54    60    62   0.03350  1.0 3.0
   48    56   -57    33  -0.25000 -1.0 2.0
   48    56   -57    33  -0.01800  1.0 3.0
   48    56    57    58   0.32350  1.0 3.0
   48    56    57    59   0.32350  1.0 3.0
   49    48    56    57   0.00000  1.0 1.0
   57    33   -37    40  -0.93550  1.0 1.0
   57    33   -37    40   0.38900 -1.0 2.0
   57    33   -37    40   0.16950  1.0 3.0
   57    33    37    41   0.09850  1.0 1.0
   57    33    37    41   0.15250 -1.0 2.0
   57    33    37    41  -0.50650  1.0 3.0
   57    33    38    39   0.00000  1.0 1.0
   57    33    38    44   0.09850  1.0 1.0
   57    33    38    44   0.15250 -1.0 2.0
   57    33    38    44  -0.50650  1.0 3.0
   60    54   -48    40   2.20050  1.0 1.0
   60    54   -48    40   0.63450 -1.0 2.0
   60    54   -48    40  -0.91300  1.0 3.0
   60    54    48    49   0.15000  1.0 3.0
   60    54    48    56   0.00000  1.0 1.0
   60    62    64    65   0.00000  1.0 1.0
   60    62    64    66   0.00000  1.0 1.0
   60    62    64    67   0.00000  1.0 1.0
   61    60    62    63   2.45000 -1.0 2.0
   61    60    62    64   2.45000 -1.0 2.0
   62    64    66    70   0.04300 -1.0 2.0
   62    64    66    79   0.04300 -1.0 2.0
   62    64    67    68   0.21900  1.0 1.0
   62    64    67    68  -0.24900 -1.0 2.0
   62    64    67    68   0.15200  1.0 3.0
   62    64    67    69   0.21900  1.0 1.0
   62    64    67    69  -0.24900 -1.0 2.0
   62    64    67    69   0.15200  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.30150 -1.0 2.0
   63    62    64    67   0.30150 -1.0 2.0
   64    66    70    71   3.62500 -1.0 2.0
   64    66    70    72   3.62500 -1.0 2.0
   64    66    79    75   3.62500 -1.0 2.0
   64    66    79    80   3.62500 -1.0 2.0
   65    64    66    70   0.00000  1.0 1.0
   65    64    66    79   0.00000  1.0 1.0
   65    64    67    68   0.20000  1.0 3.0
   65    64    67    69   0.20000  1.0 3.0
   66    64    67    68   0.76500  1.0 1.0
   66    64    67    68   0.05700 -1.0 2.0
   66    64    67    68  -0.90900  1.0 3.0
   66    64    67    69   0.76500  1.0 1.0
   66    64    67    69   0.05700 -1.0 2.0
   66    64    67    69  -0.90900  1.0 3.0
   66    70    72    73   3.62500 -1.0 2.0
   66    70    72    74   3.62500 -1.0 2.0
   70    66    79    75   3.62500 -1.0 2.0
   70    66    79    80   3.62500 -1.0 2.0
   70    72   -74    75   3.62500 -1.0 2.0
   70    72    74    77   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    75    76   3.62500 -1.0 2.0
   72    74    75    79   3.62500 -1.0 2.0
   72    74    77    78   0.84100 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    77   3.62500 -1.0 2.0
   74    75   -79    66   3.62500 -1.0 2.0
   74    75    79    80   3.62500 -1.0 2.0
   75    74    77    78   0.84100 -1.0 2.0
   76    75    79    66   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   79    66    70    71   3.62500 -1.0 2.0
   79    66   -70    72   3.62500 -1.0 2.0
   77    74    75    76   3.62500 -1.0 2.0
   77    74    75    79   3.62500 -1.0 2.0
   67    64    66    70   0.18550 -1.0 2.0
   67    64    66    70   0.14000  1.0 3.0
   67    64    66    79   0.18550 -1.0 2.0
   67    64    66    79   0.14000  1.0 3.0
   41    37    40    46   0.00000  1.0 1.0
   41    37    40    48   0.00000  1.0 1.0
   38    33    37    40  -1.35150  1.0 1.0
   38    33    37    40   0.13900 -1.0 2.0
   38    33    37    40   0.25250  1.0 3.0
   38    33    37    41  -0.28300  1.0 1.0
   38    33    37    41   0.26700 -1.0 2.0
   38    33    37    41  -0.63300  1.0 3.0
   38    33    57    56   0.56750  1.0 1.0
   38    33    57    56  -0.07550 -1.0 2.0
   38    33    57    56   0.20000  1.0 3.0
   38    33    57    58   0.15000  1.0 3.0
   38    33    57    59   0.15000  1.0 3.0
   38    44    50    51   0.00000  1.0 1.0
   38    44    50    52   0.00000  1.0 1.0
   38    44    50    53   0.00000  1.0 1.0
   39    38    44    45   7.00000 -1.0 2.0
   39    38    44    50   7.00000 -1.0 2.0
   45    44    50    51   0.33100  1.0 3.0
   45    44    50    52   0.33100  1.0 3.0
   45    44    50    53   0.33100  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
   33    40    37    41   1.10000 -1.0 2.0
   48    46    40    37   1.00000 -1.0 2.0
   40    54    46    47  10.50000 -1.0 2.0
   61    62    60    54   1.00000 -1.0 2.0
   60    64    62    63  10.50000 -1.0 2.0
   70    79    66    64   4.00000 -1.0 2.0
   72    71    70    66   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   75    77    74    72   4.00000 -1.0 2.0
   79    76    75    74   1.10000 -1.0 2.0
   75    80    79    66   1.10000 -1.0 2.0
   42    43    41    37   1.10000 -1.0 2.0
   33    39    38    44  15.00000 -1.0 2.0
   50    45    44    38  15.00000 -1.0 2.0
END
