* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    236     425
    1     0 S   NP   _N1_     1    28.13458    96.55259   -22.91918
    2     1 S   H    _HN1     2     1.02955    75.75352    -4.94455
    3     1 S   H    _H1_     3     1.02833    34.67295   149.16211
    4     1 S   H    _H2_     4     1.02775   104.72838  -110.54716
    5     1 S   CT   _CA1     5     1.50145   137.36384    99.80038
    6     5 S   HC   _HA1     6     1.09574   105.20705    86.72788
    7     5 S   CO3  _C1_     7     1.53785   112.28732   -33.45511
    8     7 S   O2Z  _O11     8     1.26372   114.99112   -44.85697
    9     7 S   O2Z  _O12     9     1.26227   114.93304   134.11662
   10     5 S   CT   _CB1    10     1.53084   107.39877  -155.37402
   11    10 S   HC   HB11    11     1.09830   109.34628   -50.15701
   12    10 S   HC   HB12    12     1.09815   110.43436    66.39939
   13    10 S   CT   _CG1    13     1.53022   112.67809  -171.19101
   14    13 S   HC   HG11    14     1.09595   110.53208   -64.48649
   15    13 S   HC   HG12    15     1.09657   109.90329    54.72843
   16    13 S   C    _CD1    16     1.51844   112.23020   175.11348
   17    16 S   O    _OE1    17     1.22764   123.28934     2.12780
   18    16 S   N    _N2_    18     1.38497   111.76686  -177.92746
   19    18 S   H    _HN2    19     1.01623   119.21528     2.96220
   20    18 S   CT1  _CA2    20     1.45902   122.88875   178.80892
   21    20 S   HC   _HA2    21     1.09729   108.79734    27.67939
   22    20 S   C    _C2_    22     1.52901   107.05406   -89.58212
   23    22 S   O    _O2_    23     1.22993   123.02285   -28.68834
   24    20 S   CT   _CB2    32     1.53170   111.94093   150.77088
   25    24 S   HC   HB21    33     1.09458   109.54825    56.20406
   26    24 S   HC   HB22    34     1.09488   110.26995   174.63217
   27    22 S   N    _N3_    24     1.38507   112.62716   153.83529
   28    27 S   H    _HN3    25     1.01661   120.36706    -1.13470
   29    24 S   S    _SG2    35     1.82909   110.58848   -65.74222
   30    27 S   CT   _CA3    26     1.45355   122.38857   178.80548
   31    30 S   HC   HA31    27     1.09568   107.53114   -61.93685
   32    30 S   HC   HA32    28     1.09572   107.85654    54.35305
   33    29 S   CT   _C19    36     1.85864   101.46075   155.96116
   34    30 S   CO3  _C3_    29     1.52879   114.45203   176.33040
   35    34 S   O2Z  _O31    30     1.26317   116.11569    -0.80867
   36    34 S   O2Z  _O32    31     1.26459   114.38835   179.25192
   37    33 S   CM   _C18    37     1.51102   107.73439   179.19061
   38    33 S   CO4  _C20    70     1.53476   108.31240    57.53226
   39    38 S   O    _O33    71     1.23750   119.37999   -86.80636
   40    33 S   C    _C23    74     1.54640   109.78843   -65.68138
   41    40 S   O    _O36    75     1.23104   124.51097   -13.49247
   42    37 S   CMA  _C17    38     1.35289   126.74481  -119.36209
   43    42 S   OM   _O38    39     1.26526   127.32343  -172.92454
   44    37 S   OH   _O37    72     1.39714   114.15749    64.66811
   45    44 S   HO   _H14    73     0.97536   105.86725   178.29636
   46    40 S   N    _N4_    76     1.38113   114.26059   168.90124
   47    46 S   H    _H12    77     1.01471   122.64083    -0.56058
   48    46 S   H    _H13    78     1.01345   120.29085   179.05085
   49    42 S   CT   _C16    40     1.55779   119.88943     4.82272
   50    49 S   HC   _H3_    41     1.10526   104.65873  -100.24911
   51    49 S   CT   _C15    42     1.56195   114.52137   143.78245
   52    51 S   HC   _H10    43     1.09772   110.83241   170.13263
   53    51 S   HC   _H11    44     1.09464   108.43976    54.97132
   54    51 S   CA   _C14    45     1.51376   112.42113   -68.85830
   55    54 S   CA   _C13    46     1.40156   119.26420   -34.03397
   56    55 S   CA   _C12    47     1.40874   119.65909   176.66375
   57    55 S   CO4  _C22    66     1.50029   119.53445    -4.60181
   58    57 S   O    _O34    67     1.23319   118.56390  -162.91557
   59    56 S   CA   _C11    48     1.42321   122.27232    -0.02798
   60    56 S   OH   _O39    64     1.37705   120.47462  -178.76933
   61    60 S   HO   _H15    65     0.97272   109.66397    -4.23142
   62    49 S   CT   _C21    68     1.55159   113.88583    18.57838
   63    62 S   OM   _O35    69     1.32539   109.49951  -162.13460
   64    59 S   CA   _C6_    49     1.42082   117.83060     2.11026
   65    64 S   CA   _C7_    50     1.41863   117.95713  -178.90211
   66    65 S   HA   _H7_    51     1.08751   121.06838   177.94633
   67    54 S   CA   _C5_    59     1.41916   121.28032   147.43632
   68    65 S   CA   _C8_    52     1.39367   122.75258    -1.06312
   69    68 S   HA   _H8_    53     1.08596   120.07463  -180.00000
   70    67 S   CT   _C4_    60     1.51650   119.44905     4.38794
   71    70 S   HC   _H4_    61     1.09398   110.13717   -92.56198
   72    70 S   HC   _H5_    62     1.09404   112.03428    29.34123
   73    70 S   HC   _H6_    63     1.09409   111.72619   145.36628
   74    68 S   CA   _C9_    54     1.38080   119.59863     0.19782
   75    74 S   HA   _H9_    55     1.08593   119.46249  -179.93744
   76    59 S   CA   _C10    56     1.42794   124.36142  -178.04185
   77    76 S   OH   _O40    57     1.37458   120.16091    -0.30901
   78    77 S   HO   _H16    58     0.97146   109.42190   179.67374
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  16   2   1   1  13  14   5   7   3  12   5   2   1   2   1   1
  11   7  11   5   4  14  12  12   6   2  13   3   1   1   1  12
   8   4   6   5   3   3   2   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    62    38    39    44    40    41    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    57    62    63    38    39    44    45    40    41    46    47    48  
   35    36  
   36  
    0  
   42    43    49    50    51    62    38    39    44    45    40    41    46  
   39    44    40    41    46    42    49    50    51    55    57    58    62    63  
   40    49    57    62    63  
   41    46    47    48    42    44    62  
   46    47    48  
   43    49    50    51    52    53    54    57    62    63    44    45  
   49    50    51    62    44  
   45    49  
    0  
   47    48  
   48  
    0  
   50    51    52    53    54    55    67    57    58    62    63  
   51    52    53    54    57    62    63  
   52    53    54    55    56    64    67    70    57    62    63  
   53    54    55    67    62  
   54    55    67    62  
   55    56    59    64    65    67    70    71    72    73    60    57    58    62  
   56    59    64    76    67    70    60    61    57    58    62    63  
   59    64    65    74    76    77    67    60    61    57    58    62  
   58    62    63    59    60    67  
   62    63  
   64    65    66    68    74    75    76    77    78    67    70    60    61  
   61    64    76  
    0  
   63  
    0  
   65    66    68    69    74    76    77    67    70    71    72    73  
   66    68    69    74    75    76    67    70  
   68    69    74    67  
   70    71    72    73    68    76  
   69    74    75    76    77  
   74    75    76  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76    77  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.552400   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   47   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   64   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    40   317.000  1.522
   37    42   465.000  1.376
   37    44   510.000  1.338
   42    43   745.000  1.250
   42    49   270.000  1.512
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    62   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   317.000  1.510
   54    55   469.000  1.400
   54    67   469.000  1.400
   55    56   469.000  1.400
   55    57   310.000  1.470
   56    59   469.000  1.400
   56    60   450.000  1.364
   59    64   469.000  1.400
   59    76   469.000  1.400
   64    65   469.000  1.400
   64    67   469.000  1.400
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    69   367.000  1.080
   68    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   67    70   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   60    61   553.000  0.945
   57    58   570.000  1.229
   57    62   317.000  1.522
   62    63   570.000  1.307
   62    38   317.000  1.522
   38    39   570.000  1.229
   44    45   553.000  0.945
   40    41   570.000  1.229
   40    46   490.000  1.335
   46    47   434.000  1.010
   46    48   434.000  1.010
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  110.18000
   29    33    40    70.00000  112.33000
   33    37    42    70.00000  124.00000
   33    37    44    90.00000  109.34000
   33    38    62    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    80.00000  120.40000
   33    40    46    70.00000  116.60000
   37    42    43    65.00000  137.10300
   37    42    49    65.00000  122.18000
   37    44    45    70.00000  107.45700
   42    49    50    45.00000  110.52000
   42    49    51    70.00000  112.02700
   42    49    62    70.00000  112.02700
   49    42    43    85.00000  112.85300
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    54    70.00000  112.17500
   49    62    57    63.00000  111.10000
   49    62    63    50.00000  109.50000
   49    62    38    63.00000  111.10000
   51    49    50    37.50000  110.70000
   51    54    55    70.00000  120.00000
   51    54    67    70.00000  120.00000
   53    51    52    33.00000  107.80000
   54    51    52    35.00000  109.50000
   54    51    53    35.00000  109.50000
   54    55    56    63.00000  120.00000
   54    55    57    60.00000  119.52600
   54    67    64    63.00000  120.00000
   54    67    70    70.00000  120.00000
   55    56    59    63.00000  120.00000
   55    56    60    70.00000  120.00000
   55    57    58    75.00000  123.78400
   55    57    62    65.00000  115.47100
   56    59    64    63.00000  120.00000
   56    59    76    63.00000  120.00000
   56    60    61    35.00000  113.00000
   59    64    65    63.00000  120.00000
   59    64    67    63.00000  120.00000
   59    76    74    63.00000  120.00000
   59    76    77    70.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    68    63.00000  120.00000
   64    67    70    70.00000  120.00000
   65    68    69    35.00000  120.00000
   65    68    74    63.00000  120.00000
   68    65    66    35.00000  120.00000
   68    74    75    35.00000  120.00000
   68    74    76    63.00000  120.00000
   74    68    69    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    59    64    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   67    54    55    63.00000  120.00000
   67    64    65    63.00000  120.00000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   60    56    59    70.00000  120.00000
   57    55    56    60.00000  119.52600
   57    62    63    90.00000  108.74100
   57    62    38    75.00000  107.99600
   62    49    50    37.50000  110.70000
   62    49    51    58.35000  112.70000
   62    57    58    80.00000  120.40000
   62    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    62    63    90.00000  108.74100
   44    37    42    80.00000  121.38400
   40    33    37    70.00000  115.00700
   40    33    38    70.00000  107.85200
   40    46    47    35.00000  119.80000
   40    46    48    35.00000  119.80000
   46    40    41    80.00000  122.90000
   48    46    47    35.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    62   0.65300  1.0 1.0
   29    33    38    62  -0.03850 -1.0 2.0
   29    33    38    62   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    46   0.00000  1.0 1.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    49   7.00000 -1.0 2.0
   33    37    44    45   2.00000 -1.0 2.0
   33    40    46    47   2.45000 -1.0 2.0
   33    40    46    48   2.45000 -1.0 2.0
   37    33    38    62   0.65300  1.0 1.0
   37    33    38    62  -0.03850 -1.0 2.0
   37    33    38    62   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41   0.30150 -1.0 2.0
   37    33    40    46   0.00000  1.0 1.0
   37    42    49    50   0.00000  1.0 1.0
   37    42    49    51   0.09850  1.0 1.0
   37    42    49    51   0.15250 -1.0 2.0
   37    42    49    51  -0.50650  1.0 3.0
   37    42   -49    62   0.09850  1.0 1.0
   37    42   -49    62   0.15250 -1.0 2.0
   37    42   -49    62  -0.50650  1.0 3.0
   42    37    44    45  -0.66100  1.0 1.0
   42    37    44    45   1.20850 -1.0 2.0
   42    37    44    45  -0.36000  1.0 3.0
   42    49    51    52   0.15000  1.0 3.0
   42    49    51    53   0.15000  1.0 3.0
   42    49    51    54   0.21200  1.0 1.0
   42    49    51    54   0.16900 -1.0 2.0
   42    49    51    54  -1.15100  1.0 3.0
   42    49    62    57  -0.98800  1.0 1.0
   42    49    62    57   0.48800 -1.0 2.0
   42    49    62    57   0.76800  1.0 3.0
   42    49    62    63   0.61850  1.0 1.0
   42    49    62    63  -0.22750 -1.0 2.0
   42    49    62    63   0.15300  1.0 3.0
   42    49    62    38  -0.98800  1.0 1.0
   42    49    62    38   0.48800 -1.0 2.0
   42    49    62    38   0.76800  1.0 3.0
   43    42    49    50   0.00000  1.0 1.0
   43    42    49    51   0.09700  1.0 1.0
   43    42    49    51   0.15600 -1.0 2.0
   43    42    49    51  -0.50800  1.0 3.0
   43    42    49    62   0.09700  1.0 1.0
   43    42    49    62   0.15600 -1.0 2.0
   43    42    49    62  -0.50800  1.0 3.0
   49    51    54    55   0.04150 -1.0 2.0
   49    51    54    67   0.04150 -1.0 2.0
   49    62   -38    33   0.60050  1.0 1.0
   49    62   -38    33   0.05600 -1.0 2.0
   49    62   -38    33   0.26150  1.0 3.0
   49    62    38    39   0.30150 -1.0 2.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    54   0.43200  1.0 3.0
   50    49    62    57  -0.11250  1.0 3.0
   50    49    62    63   0.23400  1.0 3.0
   50    49    62    38  -0.11250  1.0 3.0
   51    49    62    57  -0.95700  1.0 1.0
   51    49    62    57  -0.18200 -1.0 2.0
   51    49    62    57   0.29450  1.0 3.0
   51    49    62    63   0.62750  1.0 1.0
   51    49    62    63  -0.30950 -1.0 2.0
   51    49    62    63   0.27300  1.0 3.0
   51    49    62    38  -0.95700  1.0 1.0
   51    49    62    38  -0.18200 -1.0 2.0
   51    49    62    38   0.29450  1.0 3.0
   51    54    55    56   3.62500 -1.0 2.0
   51    54   -55    57   3.62500 -1.0 2.0
   51    54    67    64   3.62500 -1.0 2.0
   51    54    67    70   3.62500 -1.0 2.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    67   0.00000  1.0 1.0
   53    51    54    55   0.00000  1.0 1.0
   53    51    54    67   0.00000  1.0 1.0
   54    55    56    59   3.62500 -1.0 2.0
   54    55    56    60   3.62500 -1.0 2.0
   54    55    57    58   1.05000 -1.0 2.0
   54    55    57    62   2.26350  1.0 1.0
   54    55    57    62   0.76750 -1.0 2.0
   54    55    57    62   0.22500  1.0 3.0
   54    67    70    71   0.00000  1.0 1.0
   54    67    70    72   0.00000  1.0 1.0
   54    67    70    73   0.00000  1.0 1.0
   55    54    67    64   3.62500 -1.0 2.0
   55    54    67    70   3.62500 -1.0 2.0
   55    56   -59    64   3.62500 -1.0 2.0
   55    56    59    76   3.62500 -1.0 2.0
   55    56    60    61   0.84100 -1.0 2.0
   55    57   -62    49   0.05850 -1.0 2.0
   55    57   -62    49   0.17250  1.0 3.0
   55    57    62    63   0.65300  1.0 1.0
   55    57    62    63  -0.03850 -1.0 2.0
   55    57    62    63   0.33900  1.0 3.0
   55    57    62    38   0.65300  1.0 1.0
   55    57    62    38  -0.03850 -1.0 2.0
   55    57    62    38   0.33900  1.0 3.0
   56    55    57    58   1.05000 -1.0 2.0
   56    55    57    62   2.26350  1.0 1.0
   56    55    57    62   0.76750 -1.0 2.0
   56    55    57    62   0.22500  1.0 3.0
   56    59    64    65   3.62500 -1.0 2.0
   56    59    64    67   3.62500 -1.0 2.0
   56    59    76    74   3.62500 -1.0 2.0
   56    59    76    77   3.62500 -1.0 2.0
   59    56    60    61   0.84100 -1.0 2.0
   59    64    65    66   3.62500 -1.0 2.0
   59    64    65    68   3.62500 -1.0 2.0
   59    64   -67    54   3.62500 -1.0 2.0
   59    64    67    70   3.62500 -1.0 2.0
   59    76    77    78   0.84100 -1.0 2.0
   64    59    76    74   3.62500 -1.0 2.0
   64    59    76    77   3.62500 -1.0 2.0
   64    65    68    69   3.62500 -1.0 2.0
   64    65   -68    74   3.62500 -1.0 2.0
   64    67    70    71   0.00000  1.0 1.0
   64    67    70    72   0.00000  1.0 1.0
   64    67    70    73   0.00000  1.0 1.0
   65    64    67    54   3.62500 -1.0 2.0
   65    64    67    70   3.62500 -1.0 2.0
   65    68    74    75   3.62500 -1.0 2.0
   65    68    74    76   3.62500 -1.0 2.0
   66    65    68    69   3.62500 -1.0 2.0
   66    65    68    74   3.62500 -1.0 2.0
   68    74   -76    59   3.62500 -1.0 2.0
   68    74    76    77   3.62500 -1.0 2.0
   69    68    74    75   3.62500 -1.0 2.0
   69    68    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    59   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    59   -64    65   3.62500 -1.0 2.0
   76    59    64    67   3.62500 -1.0 2.0
   67    54   -55    56   3.62500 -1.0 2.0
   67    54    55    57   3.62500 -1.0 2.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    68   3.62500 -1.0 2.0
   60    56    59    64   3.62500 -1.0 2.0
   60    56    59    76   3.62500 -1.0 2.0
   57    55    56    59   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   57    62    38    33   0.65300  1.0 1.0
   57    62    38    33  -0.03850 -1.0 2.0
   57    62    38    33   0.33900  1.0 3.0
   57    62    38    39   0.30150 -1.0 2.0
   58    57    62    49   0.30150 -1.0 2.0
   58    57    62    63   0.30150 -1.0 2.0
   58    57    62    38   0.30150 -1.0 2.0
   62    49    51    52   0.15000  1.0 3.0
   62    49    51    53   0.15000  1.0 3.0
   62    49   -51    54  -0.03700  1.0 1.0
   62    49   -51    54   0.37200 -1.0 2.0
   62    49   -51    54  -0.47300  1.0 3.0
   63    62    38    33   0.55300  1.0 1.0
   63    62    38    33   1.25850 -1.0 2.0
   63    62    38    33  -0.23600  1.0 3.0
   63    62    38    39   0.30150 -1.0 2.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.30150 -1.0 2.0
   38    33    40    46   0.00000  1.0 1.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    49   7.00000 -1.0 2.0
   40    33    37    42  -0.51250  1.0 1.0
   40    33    37    42  -0.88800 -1.0 2.0
   40    33    37    42   0.08850  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    62   0.65300  1.0 1.0
   40    33    38    62  -0.03850 -1.0 2.0
   40    33    38    62   0.33900  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   41    40    46    47   2.45000 -1.0 2.0
   41    40    46    48   2.45000 -1.0 2.0
IPHI
    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    44    37    42   1.10000 -1.0 2.0
   49    43    42    37   1.10000 -1.0 2.0
   55    67    54    51   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   59    60    56    55   4.00000 -1.0 2.0
   64    76    59    56   4.00000 -1.0 2.0
   65    67    64    59   4.00000 -1.0 2.0
   68    66    65    64   1.10000 -1.0 2.0
   74    69    68    65   1.10000 -1.0 2.0
   76    75    74    68   1.10000 -1.0 2.0
   74    77    76    59   4.00000 -1.0 2.0
   64    70    67    54   4.00000 -1.0 2.0
   55    62    57    58  10.50000 -1.0 2.0
   33    62    38    39  10.50000 -1.0 2.0
   33    46    40    41  10.50000 -1.0 2.0
   48    40    46    47   1.00000 -1.0 2.0
END
