* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    160    250     471
    1     0 S   NP   _N1_     1    28.87409    95.62656   -20.69267
    2     1 S   H    _HN1     2     1.02780    85.92851   -93.91057
    3     1 S   H    _H1_     3     1.02953    83.92203    15.07411
    4     1 S   H    _H2_     4     1.02832    39.53862   141.35526
    5     1 S   CT   _CA1     5     1.50107   150.18082   136.37095
    6     5 S   HC   _HA1     6     1.09553   105.28692    62.66070
    7     5 S   CO3  _C1_     7     1.53862   112.38626   -57.86590
    8     7 S   O2Z  _O11     8     1.26380   114.96317   -41.07954
    9     7 S   O2Z  _O12     9     1.26218   115.04466   138.17868
   10     5 S   CT   _CB1    10     1.53081   107.46896  -179.01087
   11    10 S   HC   HB11    11     1.09821   109.76429   -46.69034
   12    10 S   HC   HB12    12     1.09834   110.26553    70.02402
   13    10 S   CT   _CG1    13     1.52984   112.51461  -167.59420
   14    13 S   HC   HG11    14     1.09568   110.56415   -58.36998
   15    13 S   HC   HG12    15     1.09637   110.02010    60.83264
   16    13 S   C    _CD1    16     1.51770   112.17382  -178.68240
   17    16 S   O    _OE1    17     1.22723   123.27942    -4.14506
   18    16 S   N    _N2_    18     1.38607   111.58354   175.51987
   19    18 S   H    _HN2    19     1.01582   119.03556     3.19672
   20    18 S   CT1  _CA2    20     1.46211   123.36458  -178.20780
   21    20 S   HC   _HA2    21     1.09729   109.38333    -4.32205
   22    20 S   C    _C2_    22     1.53389   108.68313  -120.02737
   23    22 S   O    _O2_    23     1.23040   122.32934  -148.69131
   24    20 S   CT   _CB2    32     1.53382   111.24292   117.52434
   25    24 S   HC   HB21    33     1.09516   109.71245    58.54792
   26    24 S   HC   HB22    34     1.09510   110.35648   176.78502
   27    22 S   N    _N3_    24     1.38345   113.57169    38.78357
   28    27 S   H    _HN3    25     1.01625   119.50609    -3.55066
   29    24 S   S    _SG2    35     1.83073   111.24497   -64.16149
   30    27 S   CT   _CA3    26     1.45285   123.13963   176.99261
   31    30 S   HC   HA31    27     1.09552   107.51172   -64.22222
   32    30 S   HC   HA32    28     1.09558   107.96775    52.19184
   33    29 S   CT   _C11    36     1.84774   100.83670   136.16675
   34    33 S   HC   _H4_    37     1.09656   105.60082   -32.42867
   35    30 S   CO3  _C3_    29     1.52934   114.12881   174.17971
   36    35 S   O2Z  _O31    30     1.26368   116.06195    -0.99721
   37    35 S   O2Z  _O32    31     1.26431   114.41099   179.06875
   38    33 S   CT   _C10    38     1.54744   109.94177    84.09789
   39    38 S   HC   _H3_    39     1.09886   108.10719  -170.48291
   40    38 S   CO4  _C9_    40     1.52713   107.51886    74.22547
   41    40 S   O    _O33    41     1.22800   123.51065  -121.07636
   42    38 S   OS   _O36    79     1.41723   111.45909   -51.62454
   43    40 S   CT   _C8_    42     1.51157   114.33953    61.29479
   44    43 S   HC   _H14    43     1.09968   105.27883    58.95926
   45    43 S   HC   _H15    44     1.08936   109.84058   170.44348
   46    42 S   CT   _C22    80     1.42121   113.37635  -158.55002
   47    46 S   HC   _H24    81     1.09334   108.20792  -178.16976
   48    46 S   HC   _H25    82     1.09426   110.35295    63.36651
   49    46 S   HC   _H26    83     1.09349   111.22006   -59.08069
   50    43 S   CT   _C7_    45     1.55284   112.13598   -60.44853
   51    50 S   CA   _C16    46     1.54496   117.22611   -74.27851
   52    50 S   CT   _C6_    72     1.56248   107.13671   165.74508
   53    52 S   HC   _H12    73     1.09777   110.65850    71.31191
   54    52 S   HC   _H13    74     1.09922   109.23526   -45.03335
   55    51 S   CA   _C15    47     1.41769   119.21091   152.01488
   56    55 S   CA   _C20    48     1.40770   120.62474   179.89532
   57    56 S   HA   _H19    49     1.08850   119.87064   178.56387
   58    55 S   CT   _C14    61     1.51302   123.15376    -1.12987
   59    58 S   HC   _H16    62     1.09571   108.50689   128.16852
   60    58 S   HC   _H17    63     1.09504   107.99536  -118.92839
   61    56 S   CA   _C19    50     1.39029   121.29053    -1.41541
   62    61 S   HA   _H18    51     1.08472   118.11216   179.92598
   63    58 S   CT   _C13    64     1.53637   115.82230     2.64079
   64    63 S   HC   _H6_    65     1.09813   108.45891  -151.79864
   65    61 S   CA   _C18    52     1.38884   119.47409    -1.06073
   66    33 S   CT   _C12    66     1.57289   117.35840  -150.68185
   67    66 S   HC   _H5_    67     1.10509   102.19605   174.96168
   68    63 S   NT   _N4_    68     1.48426   113.84046    89.07391
   69    51 S   CA   _C17    53     1.41075   124.19476   -32.14700
   70    65 S   OS   _O34    56     1.37301   125.13230  -178.33493
   71    68 S   CT   _C5_    69     1.46566   113.55495   -60.50172
   72    71 S   HC   _H10    70     1.09750   109.47128  -173.67668
   73    71 S   HC   _H11    71     1.09641   111.58636    69.25255
   74    68 S   CT   _C4_    75     1.46013   113.50373    68.15940
   75    74 S   HC   _H7_    76     1.09533   110.91903    50.76571
   76    74 S   HC   _H8_    77     1.09401   112.99454   -71.43047
   77    74 S   HC   _H9_    78     1.09590   110.04010   168.22778
   78    69 S   OH   _O35    54     1.37123   120.27093    -1.90916
   79    78 S   HO   _H23    55     0.97377   107.82835   179.29501
   80    70 S   CT   _C21    57     1.42281   117.01062    -1.56423
   81    80 S   HC   _H20    58     1.09427   107.72992  -179.24024
   82    80 S   HC   _H21    59     1.09494   111.11026    63.04937
   83    80 S   HC   _H22    60     1.09499   111.16051   -61.49570
  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
  17   8   2   1   1  15   6  10   5   6  13   5   4   3   2   1
   1  18  19  12   6   5  14  10   4  11   5   4   6   3  11   5
   8   5   1   7   4   5   6   2   1   3   2   1   1   1   1   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    66    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    63    66    67    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    50    51    58    63    64    66    67    68    52    42    46  
   38    39    40    50    63    66    67    42  
   36    37  
   37  
    0  
   39    40    41    43    44    45    50    63    66    67    42    46    47    48    49  
   40    41    43    66    42    46  
   41    43    44    45    50    51    66    52    42    46  
   43    44    45    50    42  
   46    47    48    49    43    66  
   44    45    50    51    55    69    63    66    67    71    52    53    54  
   45    50    51    66    52  
   50    51    66    52  
   47    48    49  
   48    49  
   49  
    0  
   51    55    56    65    69    78    58    63    64    66    67    68    71    72    73    52    53    54  
   55    56    57    61    65    69    78    79    70    58    59    60    63    66    67    71    52    53    54  
   53    54    74    55    63    66    67    68    69    71    72    73  
   54    66    68    71    72    73  
   66    68    71    72    73  
   56    57    61    62    65    69    78    58    59    60    63    64    66    68  
   57    61    62    65    69    70    58    59    60    63  
   61    62    65    58  
   59    60    63    64    66    67    68    71    74    61    69  
   60    63    64    66    68  
   63    64    66    68  
   62    65    69    78    70    80  
   65    69    70  
   64    66    67    68    71    72    73    74    75    76    77  
   66    67    68    71    74  
   69    78    79    70    80    81    82    83  
   67    68    71    74    69  
   68  
   71    72    73    74    75    76    77  
   78    79    70    80  
   80    81    82    83    78  
   72    73    74    75    76    77  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79  
    0  
   81    82    83  
   82    83  
   83  
    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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0700  -0.115000   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   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    66   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   268.000  1.529
   50    51   317.000  1.510
   50    66   268.000  1.529
   50    52   268.000  1.529
   51    55   469.000  1.400
   51    69   469.000  1.400
   55    56   469.000  1.400
   55    58   317.000  1.510
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    69   469.000  1.400
   65    70   450.000  1.364
   69    78   450.000  1.364
   78    79   553.000  0.945
   70    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    68   382.000  1.448
   66    67   340.000  1.090
   68    71   382.000  1.448
   68    74   382.000  1.448
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   42    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    66    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    66    50    58.35000  112.70000
   33    66    63    58.35000  112.70000
   33    66    67    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    46    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    50    51    70.00000  112.17500
   43    50    66    58.35000  112.70000
   43    50    52    58.35000  112.70000
   45    43    44    33.00000  107.80000
   50    43    44    37.50000  110.70000
   50    43    45    37.50000  110.70000
   50    51    55    70.00000  120.00000
   50    51    69    70.00000  120.00000
   50    66    63    58.35000  112.70000
   50    66    67    37.50000  110.70000
   50    52    71    58.35000  112.70000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   51    55    56    63.00000  120.00000
   51    55    58    70.00000  120.00000
   51    69    65    63.00000  120.00000
   51    69    78    70.00000  120.00000
   55    56    57    35.00000  120.00000
   55    56    61    63.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.17500
   56    61    62    35.00000  120.00000
   56    61    65    63.00000  120.00000
   61    56    57    35.00000  120.00000
   61    65    69    63.00000  120.00000
   61    65    70    70.00000  120.00000
   65    61    62    35.00000  120.00000
   65    69    78    70.00000  120.00000
   65    70    80    75.00000  111.00000
   69    51    55    63.00000  120.00000
   69    78    79    35.00000  113.00000
   70    65    69    70.00000  120.00000
   70    80    81    35.00000  109.50000
   70    80    82    35.00000  109.50000
   70    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   58    55    56    70.00000  120.00000
   58    63    64    37.50000  110.70000
   58    63    66    58.35000  112.70000
   58    63    68    56.20000  109.47000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    68    71    51.80000  107.20000
   63    68    74    51.80000  107.20000
   66    33    34    37.50000  110.70000
   66    33    38    58.35000  112.70000
   66    50    51    70.00000  112.17500
   66    63    64    37.50000  110.70000
   68    63    64    35.00000  109.50000
   68    63    66    56.20000  109.47000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    52    56.20000  109.47000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   71    52    53    37.50000  110.70000
   71    52    54    37.50000  110.70000
   73    71    72    33.00000  107.80000
   52    50    51    70.00000  112.17500
   52    50    66    58.35000  112.70000
   52    71    72    37.50000  110.70000
   52    71    73    37.50000  110.70000
   54    52    53    33.00000  107.80000
   74    68    71    51.80000  107.20000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    66   0.01700  1.0 1.0
   24    29    33    66  -0.23550 -1.0 2.0
   24    29    33    66   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    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    66    50   0.44750  1.0 1.0
   29    33    66    50  -0.17800 -1.0 2.0
   29    33    66    50   0.20200  1.0 3.0
   29    33    66    63   0.44750  1.0 1.0
   29    33    66    63  -0.17800 -1.0 2.0
   29    33    66    63   0.20200  1.0 3.0
   29    33    66    67   0.15000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    43   0.60050  1.0 1.0
   33    38    40    43   0.05600 -1.0 2.0
   33    38    40    43   0.26150  1.0 3.0
   33    38    42    46   0.06250  1.0 1.0
   33    38    42    46  -0.01100 -1.0 2.0
   33    38    42    46   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    66    50   0.15000  1.0 3.0
   34    33    66    63   0.15000  1.0 3.0
   34    33    66    67   0.15000  1.0 3.0
   38    33    66    50   0.56750  1.0 1.0
   38    33    66    50  -0.07550 -1.0 2.0
   38    33    66    50   0.20000  1.0 3.0
   38    33    66    63   0.56750  1.0 1.0
   38    33    66    63  -0.07550 -1.0 2.0
   38    33    66    63   0.20000  1.0 3.0
   38    33    66    67   0.15000  1.0 3.0
   38    40    43    44   0.00000  1.0 1.0
   38    40    43    45   0.00000  1.0 1.0
   38    40   -43    50   0.60050  1.0 1.0
   38    40   -43    50   0.05600 -1.0 2.0
   38    40   -43    50   0.26150  1.0 3.0
   38    42    46    47   0.37050  1.0 3.0
   38    42    46    48   0.37050  1.0 3.0
   38    42    46    49   0.37050  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    43   0.00000  1.0 1.0
   39    38    42    46   0.37050  1.0 3.0
   40    38    42    46  -1.11000  1.0 1.0
   40    38    42    46   0.50250 -1.0 2.0
   40    38    42    46   0.47450  1.0 3.0
   40    43    50    51   0.56750  1.0 1.0
   40    43    50    51  -0.07550 -1.0 2.0
   40    43    50    51   0.20000  1.0 3.0
   40    43    50    66  -0.95700  1.0 1.0
   40    43    50    66  -0.18200 -1.0 2.0
   40    43    50    66   0.29450  1.0 3.0
   40    43    50    52  -0.95700  1.0 1.0
   40    43    50    52  -0.18200 -1.0 2.0
   40    43    50    52   0.29450  1.0 3.0
   41    40    43    44   0.00000  1.0 1.0
   41    40    43    45   0.00000  1.0 1.0
   41    40    43    50   0.30150 -1.0 2.0
   43    50    51    55   0.04150 -1.0 2.0
   43    50    51    69   0.04150 -1.0 2.0
   43    50   -66    33   0.56750  1.0 1.0
   43    50   -66    33  -0.07550 -1.0 2.0
   43    50   -66    33   0.20000  1.0 3.0
   43    50    66    63   0.56750  1.0 1.0
   43    50    66    63  -0.07550 -1.0 2.0
   43    50    66    63   0.20000  1.0 3.0
   43    50    66    67   0.15000  1.0 3.0
   43    50    52    71   0.56750  1.0 1.0
   43    50    52    71  -0.07550 -1.0 2.0
   43    50    52    71   0.20000  1.0 3.0
   43    50    52    53   0.15000  1.0 3.0
   43    50    52    54   0.15000  1.0 3.0
   44    43    50    51   0.43200  1.0 3.0
   44    43    50    66   0.15000  1.0 3.0
   44    43    50    52   0.15000  1.0 3.0
   45    43    50    51   0.43200  1.0 3.0
   45    43    50    66   0.15000  1.0 3.0
   45    43    50    52   0.15000  1.0 3.0
   50    51    55    56   3.62500 -1.0 2.0
   50    51    55    58   3.62500 -1.0 2.0
   50    51    69    65   3.62500 -1.0 2.0
   50    51    69    78   3.62500 -1.0 2.0
   51    50    66    33  -0.03700  1.0 1.0
   51    50    66    33   0.37200 -1.0 2.0
   51    50    66    33  -0.47300  1.0 3.0
   51    50    66    63  -0.03700  1.0 1.0
   51    50    66    63   0.37200 -1.0 2.0
   51    50    66    63  -0.47300  1.0 3.0
   51    50    66    67   0.43200  1.0 3.0
   51    50    52    71  -0.03700  1.0 1.0
   51    50    52    71   0.37200 -1.0 2.0
   51    50    52    71  -0.47300  1.0 3.0
   51    50    52    53   0.43200  1.0 3.0
   51    50    52    54   0.43200  1.0 3.0
   51    55    56    57   3.62500 -1.0 2.0
   51    55    56    61   3.62500 -1.0 2.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55   -58    63   0.04150 -1.0 2.0
   51    69    78    79   0.84100 -1.0 2.0
   55    51    69    65   3.62500 -1.0 2.0
   55    51    69    78   3.62500 -1.0 2.0
   55    56    61    62   3.62500 -1.0 2.0
   55    56   -61    65   3.62500 -1.0 2.0
   55    58    63    64   0.43200  1.0 3.0
   55    58    63    66  -0.03700  1.0 1.0
   55    58    63    66   0.37200 -1.0 2.0
   55    58    63    66  -0.47300  1.0 3.0
   55    58    63    68   0.83750  1.0 1.0
   55    58    63    68   0.32200 -1.0 2.0
   55    58    63    68   0.70600  1.0 3.0
   56    55    58    59   0.00000  1.0 1.0
   56    55    58    60   0.00000  1.0 1.0
   56    55    58    63   0.04150 -1.0 2.0
   56    61    65    69   3.62500 -1.0 2.0
   56    61    65    70   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   57    56    61    65   3.62500 -1.0 2.0
   61    65   -69    51   3.62500 -1.0 2.0
   61    65    69    78   3.62500 -1.0 2.0
   61    65    70    80   1.63200 -1.0 2.0
   62    61    65    69   3.62500 -1.0 2.0
   62    61    65    70   3.62500 -1.0 2.0
   65    69    78    79   0.84100 -1.0 2.0
   65    70    80    81   0.08050  1.0 3.0
   65    70    80    82   0.08050  1.0 3.0
   65    70    80    83   0.08050  1.0 3.0
   69    51   -55    56   3.62500 -1.0 2.0
   69    51    55    58   3.62500 -1.0 2.0
   69    65    70    80   1.63200 -1.0 2.0
   70    65    69    51   3.62500 -1.0 2.0
   70    65    69    78   3.62500 -1.0 2.0
   58    55    56    57   3.62500 -1.0 2.0
   58    55    56    61   3.62500 -1.0 2.0
   58    63    66    33   0.56750  1.0 1.0
   58    63    66    33  -0.07550 -1.0 2.0
   58    63    66    33   0.20000  1.0 3.0
   58    63   -66    50   0.56750  1.0 1.0
   58    63   -66    50  -0.07550 -1.0 2.0
   58    63   -66    50   0.20000  1.0 3.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    68    71   0.23450  1.0 1.0
   58    63    68    71   0.02050 -1.0 2.0
   58    63    68    71   0.25250  1.0 3.0
   58    63    68    74   0.58650  1.0 1.0
   58    63    68    74   0.12600 -1.0 2.0
   58    63    68    74   0.33350  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   59    58    63    68   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   60    58    63    68   0.15000  1.0 3.0
   63    68    71    72   0.28000  1.0 3.0
   63    68    71    73   0.28000  1.0 3.0
   63    68    71    52   0.23450  1.0 1.0
   63    68    71    52   0.02050 -1.0 2.0
   63    68    71    52   0.25250  1.0 3.0
   63    68    74    75   0.28000  1.0 3.0
   63    68    74    76   0.28000  1.0 3.0
   63    68    74    77   0.28000  1.0 3.0
   64    63    66    33   0.15000  1.0 3.0
   64    63    66    50   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    68    71   0.28000  1.0 3.0
   64    63    68    74   0.28000  1.0 3.0
   66    33    38    39   0.15000  1.0 3.0
   66    33   -38    40  -0.95700  1.0 1.0
   66    33   -38    40  -0.18200 -1.0 2.0
   66    33   -38    40   0.29450  1.0 3.0
   66    33    38    42   0.62750  1.0 1.0
   66    33    38    42  -0.30950 -1.0 2.0
   66    33    38    42   0.27300  1.0 3.0
   66    50   -51    55   0.04150 -1.0 2.0
   66    50    51    69   0.04150 -1.0 2.0
   66    50    52    71   0.56750  1.0 1.0
   66    50    52    71  -0.07550 -1.0 2.0
   66    50    52    71   0.20000  1.0 3.0
   66    50    52    53   0.15000  1.0 3.0
   66    50    52    54   0.15000  1.0 3.0
   66    63   -68    71   0.23450  1.0 1.0
   66    63   -68    71   0.02050 -1.0 2.0
   66    63   -68    71   0.25250  1.0 3.0
   66    63    68    74   0.58650  1.0 1.0
   66    63    68    74   0.12600 -1.0 2.0
   66    63    68    74   0.33350  1.0 3.0
   68    63    66    33   1.53400  1.0 1.0
   68    63    66    33  -0.09950 -1.0 2.0
   68    63    66    33   0.05700  1.0 3.0
   68    63    66    50   1.53400  1.0 1.0
   68    63    66    50  -0.09950 -1.0 2.0
   68    63    66    50   0.05700  1.0 3.0
   68    63    66    67   0.15000  1.0 3.0
   68    71   -52    50   1.53400  1.0 1.0
   68    71   -52    50  -0.09950 -1.0 2.0
   68    71   -52    50   0.05700  1.0 3.0
   68    71    52    53   0.15000  1.0 3.0
   68    71    52    54   0.15000  1.0 3.0
   71    68    74    75   0.28000  1.0 3.0
   71    68    74    76   0.28000  1.0 3.0
   71    68    74    77   0.28000  1.0 3.0
   72    71    52    50   0.15000  1.0 3.0
   72    71    52    53   0.15000  1.0 3.0
   72    71    52    54   0.15000  1.0 3.0
   73    71    52    50   0.15000  1.0 3.0
   73    71    52    53   0.15000  1.0 3.0
   73    71    52    54   0.15000  1.0 3.0
   52    50    51    55   0.04150 -1.0 2.0
   52    50    51    69   0.04150 -1.0 2.0
   52    50    66    33   0.56750  1.0 1.0
   52    50    66    33  -0.07550 -1.0 2.0
   52    50    66    33   0.20000  1.0 3.0
   52    50   -66    63   0.56750  1.0 1.0
   52    50   -66    63  -0.07550 -1.0 2.0
   52    50   -66    63   0.20000  1.0 3.0
   52    50    66    67   0.15000  1.0 3.0
   74    68    71    72   0.28000  1.0 3.0
   74    68    71    73   0.28000  1.0 3.0
   74    68    71    52   0.58650  1.0 1.0
   74    68    71    52   0.12600 -1.0 2.0
   74    68    71    52   0.33350  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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
   38    43    40    41  10.50000 -1.0 2.0
   55    69    51    50   4.00000 -1.0 2.0
   56    58    55    51   4.00000 -1.0 2.0
   61    57    56    55   1.10000 -1.0 2.0
   65    62    61    56   1.10000 -1.0 2.0
   69    70    65    61   4.00000 -1.0 2.0
   65    78    69    51   4.00000 -1.0 2.0
END
