* LIGAND DATABASE FILE (OPLS2005)
*
001      79    84    148    256     444
    1     0 S   NP   _N1_     1    28.93059    95.54367   -25.91926
    2     1 S   H    _HN1     2     1.02787   118.38814   -89.80333
    3     1 S   H    _H1_     3     1.02949    74.34700    12.93993
    4     1 S   H    _H2_     4     1.02828    32.74271  -168.57430
    5     1 S   CT   _CA1     5     1.50117   124.42848   117.22560
    6     5 S   HC   _HA1     6     1.09573   105.18874    93.06321
    7     5 S   CO3  _C1_     7     1.53786   112.47411   -27.17073
    8     7 S   O2Z  _O11     8     1.26374   115.00535   -42.26825
    9     7 S   O2Z  _O12     9     1.26241   114.94742   136.85405
   10     5 S   CT   _CB1    10     1.53077   107.41811  -148.94608
   11    10 S   HC   HB11    11     1.09834   109.37043   -49.58100
   12    10 S   HC   HB12    12     1.09812   110.44881    67.02835
   13    10 S   CT   _CG1    13     1.52994   112.61071  -170.54797
   14    13 S   HC   HG11    14     1.09580   110.65036   -65.91496
   15    13 S   HC   HG12    15     1.09670   109.76835    53.32055
   16    13 S   C    _CD1    16     1.51801   112.19337   173.78587
   17    16 S   O    _OE1    17     1.22734   123.27424     7.91004
   18    16 S   N    _N2_    18     1.38657   111.69728  -172.17557
   19    18 S   H    _HN2    19     1.01576   118.92870     1.71006
   20    18 S   CT1  _CA2    20     1.46193   123.38634   177.42185
   21    20 S   HC   _HA2    21     1.09736   109.35313     4.09204
   22    20 S   C    _C2_    22     1.53581   108.67150  -111.42204
   23    22 S   O    _O2_    23     1.23069   122.25164  -147.85146
   24    20 S   CT   _CB2    32     1.53356   111.61325   126.10456
   25    24 S   HC   HB21    33     1.09584   110.05243    56.36813
   26    24 S   HC   HB22    34     1.09412   109.95810   175.36198
   27    22 S   N    _N3_    24     1.38316   113.75239    39.58059
   28    27 S   H    _HN3    25     1.01576   119.60226    -3.23216
   29    24 S   S    _SG2    35     1.82729   111.52655   -64.52003
   30    27 S   CT   _CA3    26     1.45289   123.23470   177.17167
   31    30 S   HC   HA31    27     1.09548   107.50500   -64.78327
   32    30 S   HC   HA32    28     1.09556   107.99566    51.66179
   33    29 S   CT   _C26    36     1.84924    99.68443   173.90461
   34    33 S   HC   _H5_    37     1.09744   106.21482   -43.75443
   35    30 S   CO3  _C3_    29     1.52967   114.06829   173.66281
   36    35 S   O2Z  _O31    30     1.26378   116.06835    -0.67869
   37    35 S   O2Z  _O32    31     1.26427   114.41437   179.38388
   38    33 S   CT   _C27    38     1.54507   109.56385  -161.43089
   39    38 S   HC   _H6_    39     1.09341   107.28671   -49.18606
   40    38 S   CA   _C18    40     1.53743   115.53971  -169.57294
   41    38 S   OH   _O33    78     1.43229   106.10842    68.58994
   42    41 S   HO   _H17    79     0.97246   108.28684    86.75360
   43    40 S   CA   _C17    41     1.47188   122.28144  -165.69980
   44    40 S   CA   _C19    67     1.41718   116.60873    11.13316
   45    43 S   CA   _C7_    42     1.46707   128.26021   -13.86675
   46    44 S   CT   _C24    68     1.51584   124.36217     7.40292
   47    46 S   HC   _H3_    69     1.09778   108.31221   132.88912
   48    43 S   CR3  _C16    76     1.42715   115.81551   165.32686
   49    45 S   CA   _C6_    43     1.42307   123.90000   -14.48644
   50    49 S   HA   _H9_    44     1.08008   121.44971    -6.39724
   51    33 S   CT   _C25    70     1.52677   111.03196    76.58768
   52    51 S   HC   _H4_    71     1.09561   110.76612   -54.53324
   53    46 S   OH   _O35    74     1.42875   107.61367  -110.45448
   54    53 S   HO   _H19    75     0.97253   107.61282  -171.85232
   55    65 S   CR3  _C15    77     1.41190   119.21027     1.83419
   56    49 S   CA   _C5_    45     1.39625   124.68666   176.17239
   57    56 S   HA   _H8_    46     1.08575   120.15078  -178.97531
   58    51 S   OH   _O34    72     1.42732   110.93908    65.03139
   59    58 S   HO   _H18    73     0.97253   107.77086  -177.09559
   60    56 S   CA   _C4_    47     1.37193   119.25568     1.47737
   61    60 S   HA   _H7_    48     1.08510   120.78543  -179.65965
   62    60 S   CA   _C9_    49     1.38918   118.61934     2.53482
   63    62 S   HA   _H10    50     1.08633   115.08548   177.26197
   64    45 S   CA   _C8_    51     1.42832   121.04796   168.08582
   65    64 S   CA   _C10    52     1.42584   120.11670     6.25037
   66    65 S   CA   _C11    53     1.42271   123.58451   179.68225
   67    66 S   HA   _H11    54     1.08617   121.67240     2.81320
   68    66 S   CA   _C12    55     1.39177   122.91486  -176.60690
   69    68 S   HA   _H12    56     1.08592   120.18531   179.65170
   70    68 S   CA   _C13    57     1.38026   119.46112     0.22029
   71    70 S   HA   _H13    58     1.08777   118.83631   179.43907
   72    70 S   CA   _C14    59     1.39519   119.95603    -0.95162
   73    72 S   CA   _C23    60     1.39014   118.28083  -179.74056
   74    73 S   HA   _H16    61     1.08785   121.25850    -0.73568
   75    73 S   CA   _C22    62     1.38316   119.98948   178.81634
   76    75 S   HA   _H15    63     1.08858   118.31922  -179.47474
   77    75 S   CA   _C21    64     1.39608   120.61781    -0.68899
   78    77 S   CA   _C20    65     1.38482   117.48460  -177.89336
   79    78 S   HA   _H14    66     1.09014   120.00616    -1.81801
  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   8   2   1   1  13   6  16   4   1  15  13  13  10   6  13
   8   4   6   3   3   1  14   6   3   1   1   5   3   4   2   5
   8   6   3   5   3   5   2   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    51    52    58    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    46    47    51    52    58    59    53    41    42  
   38    39    40    46    51    52    58    41  
   36    37  
   37  
    0  
   39    40    43    45    78    44    46    51    52    58    48    41    42  
   40    43    44    51    41    42  
   43    45    49    64    77    78    79    44    46    47    51    53    48    55    41    42  
   42    43    44    51  
    0  
   45    49    50    56    62    64    65    72    75    77    78    44    46    48    55  
   46    47    51    52    58    53    54    48    45    75    77    78    79  
   49    50    56    57    60    62    63    64    65    66    77    48    55  
   47    51    52    58    59    53    54    77    78    79  
   51    52    58    53    54    78  
   55    49    64    65    66    70    72    73    75    76    77    78    79  
   50    56    57    60    61    62    64    65  
   56    57    60    64  
   52    58    59    53    54    78  
   58    59    53  
   54    58    78  
    0  
   62    64    65    66    67    68    70    71    72    73    74    75    77    78  
   57    60    61    62    63    64  
   60    61    62  
   59  
    0  
   61    62    63    64    65  
   62    63    64  
   63    64    65    66  
   64    65  
   65    66    67    68    72  
   66    67    68    69    70    72    73    77  
   67    68    69    70    71    72  
   68    69    70  
   69    70    71    72    73  
   70    71    72  
   71    72    73    74    75  
   72    73  
   73    74    75    76    77  
   74    75    76    77    78  
   75    76    77  
   76    77    78    79  
   77    78  
   78    79  
   79  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   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    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    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.510
   38    41   320.000  1.410
   40    43   469.000  1.400
   40    44   469.000  1.400
   43    45   375.000  1.464
   43    48   490.000  1.398
   45    49   469.000  1.400
   45    64   469.000  1.400
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   375.000  1.464
   65    66   469.000  1.400
   65    55   490.000  1.398
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   469.000  1.400
   72    55   490.000  1.398
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   367.000  1.080
   75    77   469.000  1.400
   77    78   469.000  1.400
   77    48   490.000  1.398
   78    79   367.000  1.080
   78    44   469.000  1.400
   44    46   317.000  1.510
   46    47   340.000  1.090
   46    51   268.000  1.529
   46    53   320.000  1.410
   51    52   340.000  1.090
   51    58   320.000  1.410
   58    59   553.000  0.945
   53    54   553.000  0.945
   48    55   490.000  1.398
   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    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    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  112.17500
   33    38    41    50.00000  109.50000
   33    51    46    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    58    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    70.00000  120.00000
   38    40    44    70.00000  120.00000
   38    41    42    55.00000  108.50000
   40    38    39    35.00000  109.50000
   40    43    45    60.00000  122.76000
   40    43    48    70.00000  112.88000
   40    44    78    63.00000  120.00000
   40    44    46    70.00000  120.00000
   43    45    49    60.00000  122.76000
   43    45    64    60.00000  122.76000
   43    48    77    60.00000  130.80000
   43    48    55    60.00000  130.80000
   45    49    50    35.00000  120.00000
   45    49    56    63.00000  120.00000
   45    64    62    63.00000  120.00000
   45    64    65    60.00000  122.76000
   49    56    57    35.00000  120.00000
   49    56    60    63.00000  120.00000
   56    49    50    35.00000  120.00000
   56    60    61    35.00000  120.00000
   56    60    62    63.00000  120.00000
   60    56    57    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    60.00000  122.76000
   64    45    49    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    65    66    60.00000  122.76000
   64    65    55    60.00000  122.76000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    55    72    60.00000  130.80000
   65    55    48    60.00000  130.80000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    63.00000  120.00000
   70    72    55    70.00000  112.88000
   72    70    71    35.00000  120.00000
   72    73    74    35.00000  120.00000
   72    73    75    63.00000  120.00000
   72    55    48    60.00000  130.80000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    78    63.00000  120.00000
   75    77    48    70.00000  112.88000
   77    75    76    35.00000  120.00000
   77    78    79    35.00000  120.00000
   77    78    44    63.00000  120.00000
   77    48    55    60.00000  130.80000
   78    44    46    70.00000  120.00000
   44    40    43    63.00000  120.00000
   44    78    79    35.00000  120.00000
   44    46    47    35.00000  109.50000
   44    46    51    70.00000  112.17500
   44    46    53    90.00000  112.51600
   46    51    52    37.50000  110.70000
   46    51    58    50.00000  109.50000
   46    53    54    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    58    59    55.00000  108.50000
   58    51    52    35.00000  109.50000
   53    46    47    35.00000  109.50000
   53    46    51    50.00000  109.50000
   48    43    45    60.00000  122.76000
   48    77    78    70.00000  112.88000
   55    65    66    70.00000  112.88000
   55    72    73    70.00000  112.88000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  112.51600
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    51    46   0.44750  1.0 1.0
   29    33    51    46  -0.17800 -1.0 2.0
   29    33    51    46   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    58   0.56750  1.0 1.0
   29    33    51    58  -0.07550 -1.0 2.0
   29    33    51    58   0.20000  1.0 3.0
   33    38    40    43   0.04150 -1.0 2.0
   33    38    40    44   0.04150 -1.0 2.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    51    58    59  -0.11600  1.0 1.0
   33    51    58    59  -0.09450 -1.0 2.0
   33    51    58    59   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.43200  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    51    46   0.15000  1.0 3.0
   34    33    51    52   0.15000  1.0 3.0
   34    33    51    58   0.23400  1.0 3.0
   38    33    51    46   0.56750  1.0 1.0
   38    33    51    46  -0.07550 -1.0 2.0
   38    33    51    46   0.20000  1.0 3.0
   38    33    51    52   0.15000  1.0 3.0
   38    33    51    58   0.86500  1.0 1.0
   38    33    51    58  -0.17500 -1.0 2.0
   38    33    51    58   0.20800  1.0 3.0
   38    40    43    45   3.62500 -1.0 2.0
   38    40    43    48   3.62500 -1.0 2.0
   38    40    44    78   3.62500 -1.0 2.0
   38    40   -44    46   3.62500 -1.0 2.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42   0.31900  1.0 1.0
   40    38    41    42  -0.11800 -1.0 2.0
   40    38    41    42   0.38750  1.0 3.0
   40    43    45    49  -0.19450  1.0 1.0
   40    43    45    49   0.63300 -1.0 2.0
   40    43    45    49   0.07450  1.0 3.0
   40    43    45    64  -0.19450  1.0 1.0
   40    43    45    64   0.63300 -1.0 2.0
   40    43    45    64   0.07450  1.0 3.0
   40    43    48    77   3.62500 -1.0 2.0
   40    43    48    55   3.62500 -1.0 2.0
   40    44    46    47   0.00000  1.0 1.0
   40    44    46    51   0.04150 -1.0 2.0
   40    44    46    53   0.14300 -1.0 2.0
   40    44    46    53   0.00300  1.0 3.0
   43    40    44    78   3.62500 -1.0 2.0
   43    40    44    46   3.62500 -1.0 2.0
   43    45    49    50   3.62500 -1.0 2.0
   43    45    49    56   3.62500 -1.0 2.0
   43    45    64    62   3.62500 -1.0 2.0
   43    45    64    65   3.62500 -1.0 2.0
   43    48   -55    65   3.62500 -1.0 2.0
   43    48    55    72   3.62500 -1.0 2.0
   45    43    48    77   3.62500 -1.0 2.0
   45    43    48    55   3.62500 -1.0 2.0
   45    49    56    57   3.62500 -1.0 2.0
   45    49    56    60   3.62500 -1.0 2.0
   45    64    65    66  -0.19450  1.0 1.0
   45    64    65    66   0.63300 -1.0 2.0
   45    64    65    66   0.07450  1.0 3.0
   45    64   -65    55  -0.19450  1.0 1.0
   45    64   -65    55   0.63300 -1.0 2.0
   45    64   -65    55   0.07450  1.0 3.0
   49    45    64    62   3.62500 -1.0 2.0
   49    45    64    65   3.62500 -1.0 2.0
   49    56    60    61   3.62500 -1.0 2.0
   49    56   -60    62   3.62500 -1.0 2.0
   50    49    56    57   3.62500 -1.0 2.0
   50    49    56    60   3.62500 -1.0 2.0
   56    60    62    63   3.62500 -1.0 2.0
   56    60    62    64   3.62500 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   60    62   -64    45   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64    65    66  -0.19450  1.0 1.0
   62    64    65    66   0.63300 -1.0 2.0
   62    64    65    66   0.07450  1.0 3.0
   62    64    65    55  -0.19450  1.0 1.0
   62    64    65    55   0.63300 -1.0 2.0
   62    64    65    55   0.07450  1.0 3.0
   63    62    64    45   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   64    45    49    50   3.62500 -1.0 2.0
   64    45   -49    56   3.62500 -1.0 2.0
   64    65    66    67   3.62500 -1.0 2.0
   64    65    66    68   3.62500 -1.0 2.0
   64    65    55    72   3.62500 -1.0 2.0
   64    65    55    48   3.62500 -1.0 2.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    70   3.62500 -1.0 2.0
   66    65    55    72   3.62500 -1.0 2.0
   66    65    55    48   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    55   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    73    74   3.62500 -1.0 2.0
   70    72    73    75   3.62500 -1.0 2.0
   70    72   -55    65   3.62500 -1.0 2.0
   70    72    55    48   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    55   3.62500 -1.0 2.0
   72    73    75    76   3.62500 -1.0 2.0
   72    73    75    77   3.62500 -1.0 2.0
   73    72    55    65   3.62500 -1.0 2.0
   73    72    55    48   3.62500 -1.0 2.0
   73    75    77    78   3.62500 -1.0 2.0
   73    75   -77    48   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    77    78    79   3.62500 -1.0 2.0
   75    77    78    44   3.62500 -1.0 2.0
   75    77    48    43   3.62500 -1.0 2.0
   75    77    48    55   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    48   3.62500 -1.0 2.0
   77    78   -44    40   3.62500 -1.0 2.0
   77    78    44    46   3.62500 -1.0 2.0
   77    48    55    65   3.62500 -1.0 2.0
   77    48   -55    72   3.62500 -1.0 2.0
   78    77   -48    43   3.62500 -1.0 2.0
   78    77    48    55   3.62500 -1.0 2.0
   78    44    46    47   0.00000  1.0 1.0
   78    44    46    51   0.04150 -1.0 2.0
   78    44    46    53   0.14300 -1.0 2.0
   78    44    46    53   0.00300  1.0 3.0
   79    78    44    40   3.62500 -1.0 2.0
   79    78    44    46   3.62500 -1.0 2.0
   44    40    43    45   3.62500 -1.0 2.0
   44    40    43    48   3.62500 -1.0 2.0
   44    46   -51    33  -0.03700  1.0 1.0
   44    46   -51    33   0.37200 -1.0 2.0
   44    46   -51    33  -0.47300  1.0 3.0
   44    46    51    52   0.43200  1.0 3.0
   44    46    51    58   1.13150  1.0 1.0
   44    46    51    58  -1.01400 -1.0 2.0
   44    46    53    54   0.31900  1.0 1.0
   44    46    53    54  -0.11800 -1.0 2.0
   44    46    53    54   0.38750  1.0 3.0
   46    51    58    59  -0.11600  1.0 1.0
   46    51    58    59  -0.09450 -1.0 2.0
   46    51    58    59   0.21250  1.0 3.0
   47    46    51    33   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    58   0.23400  1.0 3.0
   47    46    53    54   0.19450  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40  -0.03700  1.0 1.0
   51    33   -38    40   0.37200 -1.0 2.0
   51    33   -38    40  -0.47300  1.0 3.0
   51    33    38    41   0.86500  1.0 1.0
   51    33    38    41  -0.17500 -1.0 2.0
   51    33    38    41   0.20800  1.0 3.0
   51    46    53    54  -0.11600  1.0 1.0
   51    46    53    54  -0.09450 -1.0 2.0
   51    46    53    54   0.21250  1.0 3.0
   52    51    58    59   0.19450  1.0 3.0
   53    46    51    33   0.86500  1.0 1.0
   53    46    51    33  -0.17500 -1.0 2.0
   53    46    51    33   0.20800  1.0 3.0
   53    46    51    52   0.23400  1.0 3.0
   53    46    51    58   3.75450  1.0 1.0
   48    43    45    49  -0.19450  1.0 1.0
   48    43    45    49   0.63300 -1.0 2.0
   48    43    45    49   0.07450  1.0 3.0
   48    43   -45    64  -0.19450  1.0 1.0
   48    43   -45    64   0.63300 -1.0 2.0
   48    43   -45    64   0.07450  1.0 3.0
   48    77    78    79   3.62500 -1.0 2.0
   48    77   -78    44   3.62500 -1.0 2.0
   55    65    66    67   3.62500 -1.0 2.0
   55    65   -66    68   3.62500 -1.0 2.0
   55    72    73    74   3.62500 -1.0 2.0
   55    72   -73    75   3.62500 -1.0 2.0
   41    38    40    43   0.14300 -1.0 2.0
   41    38    40    43   0.00300  1.0 3.0
   41    38    40    44   0.14300 -1.0 2.0
   41    38    40    44   0.00300  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
   36    30    35    37  10.50000 -1.0 2.0
   43    44    40    38   4.00000 -1.0 2.0
   45    48    43    40   4.00000 -1.0 2.0
   49    64    45    43   4.00000 -1.0 2.0
   56    50    49    45   1.10000 -1.0 2.0
   60    57    56    49   1.10000 -1.0 2.0
   62    61    60    56   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   62    65    64    45   4.00000 -1.0 2.0
   66    55    65    64   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   73    55    72    70   4.00000 -1.0 2.0
   75    74    73    72   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   78    48    77    75   4.00000 -1.0 2.0
   44    79    78    77   1.10000 -1.0 2.0
   78    46    44    40   4.00000 -1.0 2.0
   77    55    48    43   4.00000 -1.0 2.0
   72    48    55    65   4.00000 -1.0 2.0
END
