* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    142    242     426
    1     0 S   NP   _N1_     1    27.94459    97.10859   -22.08097
    2     1 S   H    _HN1     2     1.02959    72.95196     6.29930
    3     1 S   H    _H1_     3     1.02837    40.29882   152.99144
    4     1 S   H    _H2_     4     1.02776    99.21656  -100.17004
    5     1 S   CT   _CA1     5     1.50128   144.32836   107.71754
    6     5 S   HC   _HA1     6     1.09575   105.22255    88.61847
    7     5 S   CO3  _C1_     7     1.53786   112.33829   -31.57724
    8     7 S   O2Z  _O11     8     1.26364   114.99629   -44.55749
    9     7 S   O2Z  _O12     9     1.26234   114.93261   134.53680
   10     5 S   CT   _CB1    10     1.53099   107.42732  -153.48212
   11    10 S   HC   HB11    11     1.09826   109.33900   -50.65102
   12    10 S   HC   HB12    12     1.09816   110.42943    65.90540
   13    10 S   CT   _CG1    13     1.53017   112.65905  -171.72640
   14    13 S   HC   HG11    14     1.09596   110.47805   -64.06391
   15    13 S   HC   HG12    15     1.09655   109.93205    55.13134
   16    13 S   C    _CD1    16     1.51838   112.32304   175.49950
   17    16 S   O    _OE1    17     1.22749   123.28902    -0.38461
   18    16 S   N    _N2_    18     1.38560   111.70037   179.61590
   19    18 S   H    _HN2    19     1.01562   119.02349     4.73880
   20    18 S   CT1  _CA2    20     1.45797   122.88348   178.02365
   21    20 S   HC   _HA2    21     1.09742   108.95720    22.79510
   22    20 S   C    _C2_    22     1.52827   107.02796   -94.30418
   23    22 S   O    _O2_    23     1.22979   122.94559   -29.92593
   24    20 S   CT   _CB2    32     1.53187   112.19514   145.93216
   25    24 S   HC   HB21    33     1.09487   110.39466    52.21420
   26    24 S   HC   HB22    34     1.09433   109.79731   171.06853
   27    22 S   N    _N3_    24     1.38526   112.60243   152.89066
   28    27 S   H    _HN3    25     1.01653   120.36487    -2.63388
   29    24 S   S    _SG2    35     1.82585   110.63599   -68.39192
   30    27 S   CT   _CA3    26     1.45354   122.38390   178.49976
   31    30 S   HC   HA31    27     1.09571   107.65188   -58.01077
   32    30 S   HC   HA32    28     1.09564   107.72227    58.26897
   33    29 S   CT   _C22    36     1.86489   100.08648  -162.27983
   34    33 S   HC   _H3_    37     1.08769   109.37019    27.89992
   35    30 S   CO3  _C3_    29     1.52870   114.44284  -179.97202
   36    35 S   O2Z  _O31    30     1.26318   116.10137    -4.10799
   37    35 S   O2Z  _O32    31     1.26436   114.41304   175.92513
   38    33 S   CA   _C21    38     1.54775   109.45281   148.11883
   39    33 S   CT   _C23    70     1.54672   106.58386   -86.53126
   40    39 S   HC   _H4_    71     1.09792   111.35159   -39.70185
   41    38 S   CA   _C16    39     1.46866   121.94605   -52.24304
   42    39 S   OH   _O35    72     1.43088   109.50281    78.79761
   43    42 S   HO   _H19    73     0.97229   107.70502  -179.86583
   44    41 S   CA   _C15    40     1.44852   126.64144   -24.00507
   45    41 S   CA   _C17    60     1.42093   117.07279   154.93076
   46    44 S   CA   _C14    41     1.41909   122.55526   -22.06473
   47    46 S   HA   _H14    42     1.08381   120.71992    -9.25406
   48    45 S   CA   _C18    61     1.41345   117.74228    15.71061
   49    48 S   HA   _H15    62     1.08639   121.71966   174.47107
   50    46 S   CA   _C13    43     1.39370   123.95974   174.74570
   51    50 S   HA   _H13    44     1.08579   120.33477  -178.73995
   52    48 S   CA   _C19    63     1.38686   123.12923    -4.29204
   53    52 S   HA   _H16    64     1.08764   119.07265   178.24119
   54    50 S   CA   _C12    45     1.37429   119.13301     1.96413
   55    54 S   HA   _H12    46     1.08566   120.54128  -179.40422
   56    38 S   CA   _C20    65     1.41435   117.29863   121.26349
   57    54 S   CA   _C11    47     1.39137   118.86010     3.65012
   58    57 S   HA   _H11    48     1.08630   115.32331   176.07285
   59    56 S   CT   _C25    66     1.51225   123.98915    14.41741
   60    59 S   HC   _H6_    67     1.09761   108.31967   131.34761
   61    44 S   CA   _C10    49     1.42138   121.19881   161.66415
   62    59 S   CT   _C24    68     1.52432   113.15741     9.90645
   63    62 S   HC   _H5_    69     1.09660   110.85615  -168.71929
   64    59 S   OH   _O33    76     1.42686   108.07907  -111.61271
   65    64 S   HO   _H17    77     0.97243   107.60948  -172.51630
   66    61 S   CA   _C8_    50     1.42705   119.67206     8.01807
   67    62 S   OH   _O34    74     1.42772   110.38038    72.93997
   68    67 S   HO   _H18    75     0.97249   107.74763    61.27484
   69    66 S   CA   _C9_    51     1.42513   122.68559  -178.90568
   70    69 S   HA   _H10    52     1.08647   121.45894     3.08743
   71    69 S   CA   _C4_    53     1.39263   123.17211  -176.64398
   72    71 S   HA   _H7_    54     1.08555   120.30127   179.86583
   73    71 S   CA   _C5_    55     1.37591   119.13587     0.06853
   74    73 S   HA   _H8_    56     1.08564   120.52498  -179.94065
   75    73 S   CA   _C6_    57     1.39386   119.22282    -0.60587
   76    75 S   HA   _H9_    58     1.08660   115.10078  -178.32789
   77    66 S   CA   _C7_    59     1.41698   119.38781     3.64293
  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   9   5   4   3
  15   7   2   1   1  17  12   6  15   5   1  14  13   8   4   8
   4   6   3   7   2   5   3   7   5   2   7   5   6   5   3   2
   1   8   1   1   7   4   6   3   4   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    56    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    44    45    52    56    59    62    63    39    40    42    43    67  
   38    41    56    62    39    40    42  
   36    37  
   37  
    0  
   41    44    46    61    77    45    48    52    53    56    59    60    62    39    40    42    64  
   40    42    43    67    68    64    41    56    59    60    62    63  
   42    43    67    59    62    63  
   44    46    47    50    57    61    66    75    77    45    48    49    52    56    59  
   43    67    59    62    63  
   62  
   46    47    50    51    54    57    58    61    66    69    77    45    48    56  
   48    49    52    53    56    46    61    66    69    73    75    76    77  
   47    50    51    54    55    57    61    66  
   50    51    54    61  
   49    52    53    56    59    66    75    77  
   52    53    56    77  
   51    54    55    57    58    61  
   54    55    57  
   53    56    59    60    62    64    77  
   56    59  
   55    57    58    61    66  
   57    58    61  
   59    60    62    63    67    64    65  
   58    61    66    69    77  
   61    66  
   60    62    63    67    68    64    65  
   62    63    67    64    65  
   66    69    70    71    75    77  
   63    67    68    64    65  
   67    68    64  
   65    67  
    0  
   69    70    71    72    73    75    76    77  
   68  
    0  
   70    71    72    73    74    75    77  
   71    72    73    77  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.222500   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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
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   317.000  1.510
   33    39   268.000  1.529
   38    41   469.000  1.400
   38    56   469.000  1.400
   41    44   469.000  1.400
   41    45   469.000  1.400
   44    46   469.000  1.400
   44    61   469.000  1.400
   46    47   367.000  1.080
   46    50   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    61   469.000  1.400
   61    66   469.000  1.400
   66    69   469.000  1.400
   66    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   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    45   469.000  1.400
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    56   469.000  1.400
   56    59   317.000  1.510
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   320.000  1.410
   62    63   340.000  1.090
   62    39   268.000  1.529
   62    67   320.000  1.410
   39    40   340.000  1.090
   39    42   320.000  1.410
   42    43   553.000  0.945
   67    68   553.000  0.945
   64    65   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    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  120.00000
   33    38    56    70.00000  120.00000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    44    63.00000  120.00000
   38    41    45    63.00000  120.00000
   38    56    52    63.00000  120.00000
   38    56    59    70.00000  120.00000
   41    44    46    63.00000  120.00000
   41    44    61    63.00000  120.00000
   41    45    77    63.00000  120.00000
   41    45    48    63.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    50    63.00000  120.00000
   44    61    57    63.00000  120.00000
   44    61    66    63.00000  120.00000
   46    50    51    35.00000  120.00000
   46    50    54    63.00000  120.00000
   50    46    47    35.00000  120.00000
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    61    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    61    66    63.00000  120.00000
   61    44    46    63.00000  120.00000
   61    57    58    35.00000  120.00000
   61    66    69    63.00000  120.00000
   61    66    77    63.00000  120.00000
   66    69    70    35.00000  120.00000
   66    69    71    63.00000  120.00000
   66    77    75    63.00000  120.00000
   66    77    45    63.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  120.00000
   73    75    77    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    77    45    63.00000  120.00000
   77    66    69    63.00000  120.00000
   77    75    76    35.00000  120.00000
   77    45    48    63.00000  120.00000
   45    41    44    63.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    52    63.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    56    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    56    59    70.00000  120.00000
   56    38    41    63.00000  120.00000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    62    70.00000  112.17500
   56    59    64    90.00000  112.51600
   59    62    63    37.50000  110.70000
   59    62    39    58.35000  112.70000
   59    62    67    50.00000  109.50000
   59    64    65    55.00000  108.50000
   62    59    60    37.50000  110.70000
   62    39    40    37.50000  110.70000
   62    39    42    50.00000  109.50000
   62    67    68    55.00000  108.50000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    62    63    37.50000  110.70000
   39    42    43    55.00000  108.50000
   42    39    40    35.00000  109.50000
   67    62    63    35.00000  109.50000
   67    62    39    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    59    62    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   0.04500  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    38    41    44   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    56    52   3.62500 -1.0 2.0
   33    38    56    59   3.62500 -1.0 2.0
   33    39    42    43  -0.11600  1.0 1.0
   33    39    42    43  -0.09450 -1.0 2.0
   33    39    42    43   0.21250  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    56   0.00000  1.0 1.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    42   0.23400  1.0 3.0
   38    33    39    62  -0.03700  1.0 1.0
   38    33    39    62   0.37200 -1.0 2.0
   38    33    39    62  -0.47300  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    42   1.13150  1.0 1.0
   38    33    39    42  -1.01400 -1.0 2.0
   38    41    44    46   3.62500 -1.0 2.0
   38    41    44    61   3.62500 -1.0 2.0
   38    41    45    77   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   38    56    59    60   0.00000  1.0 1.0
   38    56   -59    62   0.04150 -1.0 2.0
   38    56    59    64   0.14300 -1.0 2.0
   38    56    59    64   0.00300  1.0 3.0
   41    38    56    52   3.62500 -1.0 2.0
   41    38    56    59   3.62500 -1.0 2.0
   41    44    46    47   3.62500 -1.0 2.0
   41    44    46    50   3.62500 -1.0 2.0
   41    44    61    57   3.62500 -1.0 2.0
   41    44    61    66   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   44    41    45    77   3.62500 -1.0 2.0
   44    41    45    48   3.62500 -1.0 2.0
   44    46    50    51   3.62500 -1.0 2.0
   44    46    50    54   3.62500 -1.0 2.0
   44    61    66    69   3.62500 -1.0 2.0
   44    61   -66    77   3.62500 -1.0 2.0
   46    44    61    57   3.62500 -1.0 2.0
   46    44    61    66   3.62500 -1.0 2.0
   46    50    54    55   3.62500 -1.0 2.0
   46    50   -54    57   3.62500 -1.0 2.0
   47    46    50    51   3.62500 -1.0 2.0
   47    46    50    54   3.62500 -1.0 2.0
   50    54    57    58   3.62500 -1.0 2.0
   50    54    57    61   3.62500 -1.0 2.0
   51    50    54    55   3.62500 -1.0 2.0
   51    50    54    57   3.62500 -1.0 2.0
   54    57   -61    44   3.62500 -1.0 2.0
   54    57    61    66   3.62500 -1.0 2.0
   55    54    57    58   3.62500 -1.0 2.0
   55    54    57    61   3.62500 -1.0 2.0
   57    61    66    69   3.62500 -1.0 2.0
   57    61    66    77   3.62500 -1.0 2.0
   58    57    61    44   3.62500 -1.0 2.0
   58    57    61    66   3.62500 -1.0 2.0
   61    44    46    47   3.62500 -1.0 2.0
   61    44   -46    50   3.62500 -1.0 2.0
   61    66    69    70   3.62500 -1.0 2.0
   61    66    69    71   3.62500 -1.0 2.0
   61    66    77    75   3.62500 -1.0 2.0
   61    66    77    45   3.62500 -1.0 2.0
   66    69    71    72   3.62500 -1.0 2.0
   66    69    71    73   3.62500 -1.0 2.0
   66    77   -45    41   3.62500 -1.0 2.0
   66    77    45    48   3.62500 -1.0 2.0
   69    66    77    75   3.62500 -1.0 2.0
   69    66    77    45   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -77    66   3.62500 -1.0 2.0
   73    75    77    45   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    45    41   3.62500 -1.0 2.0
   75    77    45    48   3.62500 -1.0 2.0
   76    75    77    66   3.62500 -1.0 2.0
   76    75    77    45   3.62500 -1.0 2.0
   77    66    69    70   3.62500 -1.0 2.0
   77    66   -69    71   3.62500 -1.0 2.0
   77    45    48    49   3.62500 -1.0 2.0
   77    45    48    52   3.62500 -1.0 2.0
   45    41    44    46   3.62500 -1.0 2.0
   45    41   -44    61   3.62500 -1.0 2.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    56   3.62500 -1.0 2.0
   48    52   -56    38   3.62500 -1.0 2.0
   48    52    56    59   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    56   3.62500 -1.0 2.0
   52    56    59    60   0.00000  1.0 1.0
   52    56    59    62   0.04150 -1.0 2.0
   52    56    59    64   0.14300 -1.0 2.0
   52    56    59    64   0.00300  1.0 3.0
   53    52    56    38   3.62500 -1.0 2.0
   53    52    56    59   3.62500 -1.0 2.0
   56    38    41    44   3.62500 -1.0 2.0
   56    38   -41    45   3.62500 -1.0 2.0
   56    59    62    63   0.43200  1.0 3.0
   56    59    62    39  -0.03700  1.0 1.0
   56    59    62    39   0.37200 -1.0 2.0
   56    59    62    39  -0.47300  1.0 3.0
   56    59    62    67   1.13150  1.0 1.0
   56    59    62    67  -1.01400 -1.0 2.0
   56    59    64    65   0.31900  1.0 1.0
   56    59    64    65  -0.11800 -1.0 2.0
   56    59    64    65   0.38750  1.0 3.0
   59    62   -39    33   0.56750  1.0 1.0
   59    62   -39    33  -0.07550 -1.0 2.0
   59    62   -39    33   0.20000  1.0 3.0
   59    62    39    40   0.15000  1.0 3.0
   59    62    39    42   0.86500  1.0 1.0
   59    62    39    42  -0.17500 -1.0 2.0
   59    62    39    42   0.20800  1.0 3.0
   59    62    67    68  -0.11600  1.0 1.0
   59    62    67    68  -0.09450 -1.0 2.0
   59    62    67    68   0.21250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    39   0.15000  1.0 3.0
   60    59    62    67   0.23400  1.0 3.0
   60    59    64    65   0.19450  1.0 3.0
   62    59    64    65  -0.11600  1.0 1.0
   62    59    64    65  -0.09450 -1.0 2.0
   62    59    64    65   0.21250  1.0 3.0
   62    39    42    43  -0.11600  1.0 1.0
   62    39    42    43  -0.09450 -1.0 2.0
   62    39    42    43   0.21250  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   63    62    39    42   0.23400  1.0 3.0
   63    62    67    68   0.19450  1.0 3.0
   39    33    38    41   0.04150 -1.0 2.0
   39    33   -38    56   0.04150 -1.0 2.0
   39    62    67    68  -0.11600  1.0 1.0
   39    62    67    68  -0.09450 -1.0 2.0
   39    62    67    68   0.21250  1.0 3.0
   40    39    42    43   0.19450  1.0 3.0
   67    62    39    33   0.86500  1.0 1.0
   67    62    39    33  -0.17500 -1.0 2.0
   67    62    39    33   0.20800  1.0 3.0
   67    62    39    40   0.23400  1.0 3.0
   67    62    39    42   3.75450  1.0 1.0
   64    59    62    63   0.23400  1.0 3.0
   64    59    62    39   0.86500  1.0 1.0
   64    59    62    39  -0.17500 -1.0 2.0
   64    59    62    39   0.20800  1.0 3.0
   64    59    62    67   3.75450  1.0 1.0
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
   41    56    38    33   4.00000 -1.0 2.0
   44    45    41    38   4.00000 -1.0 2.0
   46    61    44    41   4.00000 -1.0 2.0
   50    47    46    44   1.10000 -1.0 2.0
   54    51    50    46   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   61    58    57    54   1.10000 -1.0 2.0
   57    66    61    44   4.00000 -1.0 2.0
   69    77    66    61   4.00000 -1.0 2.0
   71    70    69    66   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   77    76    75    73   1.10000 -1.0 2.0
   75    45    77    66   4.00000 -1.0 2.0
   77    48    45    41   4.00000 -1.0 2.0
   52    49    48    45   1.10000 -1.0 2.0
   56    53    52    48   1.10000 -1.0 2.0
   52    59    56    38   4.00000 -1.0 2.0
END
