* LIGAND DATABASE FILE (OPLS2005)
*
001      85    88    159    258     471
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096    90.91299   -67.61916
    3     1 S   H    _H1_     3     1.02080    89.68904    41.06134
    4     1 S   H    _H2_     4     1.02155    32.86649   167.91517
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08639   110.48971    58.89540
   26    24 S   HC   HB22    34     1.08603   109.84388   178.97283
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C24    36     1.83143    99.66157   159.98341
   34    33 S   HC   _H7_    37     1.09562   107.73540   -40.01772
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C6_    38     1.53971   113.08145  -162.43499
   39    38 S   HC   _H3_    39     1.09694   110.74962  -175.60114
   40    33 S   OH   _O35    84     1.42741   109.71558    75.41493
   41    40 S   HO   _H26    85     0.97274   106.53393   -55.57879
   42    38 S   CO4  _C5_    40     1.52345   108.94048   -59.10861
   43    42 S   O    _O34    41     1.22428   124.83535   120.68135
   44    38 S   CT   _C7_    47     1.53468   114.08318    63.50444
   45    44 S   HC   _H4_    48     1.11717   105.65629   -62.35856
   46    42 S   OS   _O33    42     1.36634   109.39644   -58.61021
   47    44 S   CT   _C8_    49     1.54888   108.95524    52.44705
   48    47 S   HC   _H11    50     1.10639   109.63551    34.04456
   49    47 S   HC   _H12    51     1.10492   108.71466   -80.33433
   50    44 S   CT   _C21    77     1.55000   110.34651   179.89347
   51    50 S   HC   _H6_    78     1.08879   110.17791    12.92209
   52    46 S   CT   _C4_    43     1.43169   115.48765   179.19376
   53    52 S   HC   _H8_    44     1.09296   109.48380  -179.94405
   54    52 S   HC   _H9_    45     1.09241   109.49297    59.25857
   55    52 S   HC   _H10    46     1.09224   109.00679   -60.38353
   56    47 S   CT   _C9_    52     1.52794   113.19940   158.27708
   57    56 S   HC   _H5_    53     1.09840   110.80226    49.18113
   58    50 S   CM   _C22    79     1.50052   112.93361   134.73931
   59    58 S   HC   _H23    80     1.08616   117.14270    57.38169
   60    56 S   C5A  _C10    54     1.48960   114.27381   174.12237
   61    58 S   CM   _C23    81     1.33686   124.01095  -122.59629
   62    61 S   HC   _H24    82     1.08446   120.42611   179.97202
   63    61 S   HC   _H25    83     1.08473   121.58527    -0.03956
   64    60 S   C5B  _C11    55     1.46424   124.12071   133.31297
   65    60 S   NA   _N4_    66     1.28830   124.97875   -50.72518
   66    65 S   H    _H17    67     1.01743   127.82176     2.71815
   67    64 S   C56B _C12    56     1.44219   105.58988   176.91010
   68    64 S   CT   _C18    68     1.46851   120.85526    -0.02798
   69    68 S   HC   _H18    69     1.09620   111.03718    88.67590
   70    68 S   HC   _H19    70     1.09716   109.00717  -153.28670
   71    67 S   CA   _C13    57     1.37674   134.50890  -179.70392
   72    71 S   HA   _H13    58     1.08340   121.92689    -0.21670
   73    68 S   CT   _C19    71     1.52787   110.03866   -32.62019
   74    73 S   HC   _H20    72     1.10350   111.55241   167.75423
   75    73 S   HC   _H21    73     1.10267   110.63193   -72.63604
   76    71 S   CA   _C14    59     1.39957   117.32021   179.71607
   77    76 S   HA   _H14    60     1.08778   119.53090   179.94405
   78    56 S   NIP  _N5_    74     1.48973   106.77284   -65.69657
   79    76 S   CA   _C15    61     1.41220   121.27024    -0.13270
   80    79 S   HA   _H15    62     1.08725   119.25477   180.00000
   81    78 S   CG   _C20    75     1.57026   115.10354    44.65303
   82    81 S   HC   _H22    76     1.08504   120.41153  -167.80919
   83    79 S   CA   _C16    63     1.39747   121.11912    -0.01978
   84    83 S   HA   _H16    64     1.08384   120.91340  -179.97202
   85    67 S   C56A _C17    65     1.40833   104.42224    -0.09279
  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   8   5   4   3
  12   6   2   1   1  17   8   3   1  10   3  16   8   4  13   6
   5  11   6   3   2   1   1  14   6   7   4  13   3   1   1  15
   9   3  12   9   5   4   7   4   5   3   2   6   3   2   4   3
   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    44    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    44    45    47    50    40    41  
   38    39    42    44    40    41  
   36    37  
   37  
    0  
   39    42    43    46    52    44    45    47    48    49    56    81    50    51    58    40    41  
   42    43    46    44    45    47    50    40  
   41    42    44  
    0  
   43    46    52    53    54    55    44    45    47    50  
   46    52    44  
   45    47    48    49    56    57    60    78    81    82    50    51    58    59    61    46  
   47    48    49    56    81    50    51    58  
   52    53    54    55  
   48    49    56    57    60    64    65    73    78    81    50    51    58  
   49    56    57    60    78    50  
   56    57    60    78    50  
   51    58    59    61    62    63    56    73    78    81    82  
   58    59    61    78    81    82  
   53    54    55  
   54    55  
   55  
    0  
   57    60    64    67    85    65    66    68    73    74    75    78    81    82  
   60    64    65    73    78    81  
   59    61    62    63    78    81    82  
   61    62    63    81  
   64    67    71    83    85    65    66    68    69    70    73    78    81  
   62    63    81  
   63  
    0  
   67    71    72    76    83    85    65    66    68    69    70    73    74    75    78  
   66    68    78    67    71    79    83    84    85  
   67    83    85  
   71    72    76    77    79    83    84    85    68    69    70    73  
   69    70    73    74    75    78    81    71    85  
   70    73    74    75    78  
   73    74    75    78  
   72    76    77    79    80    83    85  
   76    77    79    85  
   74    75    78    81    82  
   75    78    81  
   78    81  
   77    79    80    83    84    85  
   79    80    83  
   81    82  
   80    83    84    85  
   83    84    85  
   82  
    0  
   84    85  
   85  
    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   0.372500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.275700   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660   0.461700   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   66   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   73   3.5000   0.0660   0.286700   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   78   3.2500   0.1700  -0.349900   1.9050   1.6860   0.051222218  -2.220205820
   79   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   81   3.7500   0.1050  -0.072300   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   85   3.5500   0.0700   0.286000   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   268.000  1.529
   33    40   320.000  1.410
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    44   268.000  1.529
   42    43   570.000  1.229
   42    46   214.000  1.327
   46    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   44    45   340.000  1.090
   44    47   268.000  1.529
   44    50   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    56   268.000  1.529
   56    57   340.000  1.090
   56    60   295.000  1.489
   56    78   280.000  1.462
   60    64   520.000  1.370
   60    65   427.000  1.381
   64    67   380.000  1.440
   64    68   295.000  1.494
   67    71   469.000  1.404
   67    85   447.000  1.419
   71    72   367.000  1.080
   71    76   469.000  1.400
   76    77   367.000  1.080
   76    79   469.000  1.400
   79    80   367.000  1.080
   79    83   469.000  1.400
   83    84   367.000  1.080
   83    85   469.000  1.400
   85    65   428.000  1.380
   65    66   434.000  1.010
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   280.000  1.462
   78    81   635.000  1.286
   81    82   385.000  1.083
   81    50   290.000  1.488
   50    51   340.000  1.090
   50    58   317.000  1.510
   58    59   340.000  1.080
   58    61   549.000  1.340
   61    62   340.000  1.080
   61    63   340.000  1.080
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    44    58.35000  112.70000
   33    40    41    55.00000  108.50000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    46    81.00000  111.40000
   38    44    45    37.50000  110.70000
   38    44    47    58.35000  112.70000
   38    44    50    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    46    52    83.00000  116.90000
   46    42    43    83.00000  123.40000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   44    38    39    37.50000  110.70000
   44    38    42    63.00000  111.10000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    56    58.35000  112.70000
   44    50    81    70.00000  109.02000
   44    50    51    37.50000  110.70000
   44    50    58    70.00000  112.02700
   47    44    45    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    60    70.00000  113.44400
   47    56    78    75.00000  111.57000
   49    47    48    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    49    37.50000  110.70000
   56    60    64    55.00000  130.44200
   56    60    65    65.00000  122.56900
   56    78    73    75.00000  117.54700
   56    78    81    70.00000  122.59000
   60    56    57    45.00000  110.47400
   60    64    67    80.00000  105.82900
   60    64    68    55.00000  127.77900
   60    65    85    90.00000  107.14200
   60    65    66    35.00000  120.00000
   64    67    71    50.00000  134.85500
   64    67    85    80.00000  107.43600
   64    68    69    45.00000  111.11700
   64    68    70    45.00000  111.11700
   64    68    73    70.00000  112.62400
   67    71    72    35.00000  120.00000
   67    71    76    63.00000  120.00000
   67    85    83    85.00000  122.70000
   67    85    65    70.00000  104.40000
   71    76    77    35.00000  120.00000
   71    76    79    63.00000  120.00000
   76    71    72    35.00000  120.00000
   76    79    80    35.00000  120.00000
   76    79    83    63.00000  120.00000
   79    76    77    35.00000  120.00000
   79    83    84    35.00000  120.00000
   79    83    85    85.00000  120.00000
   83    79    80    35.00000  120.00000
   83    85    65    70.00000  132.80000
   85    67    71    85.00000  116.20000
   85    83    84    35.00000  120.00000
   85    65    66    35.00000  123.10000
   65    60    64    70.00000  106.30000
   68    64    67    55.00000  128.73000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    78    75.00000  111.57000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    78    81    70.00000  122.59000
   75    73    74    33.00000  107.80000
   78    56    57    50.00000  106.46400
   78    56    60    80.00000  109.62000
   78    73    74    50.00000  106.46400
   78    73    75    50.00000  106.46400
   78    81    82    45.00000  118.03900
   78    81    50    70.00000  120.65200
   81    50    51    45.00000  109.33400
   81    50    58    70.00000  110.51600
   50    44    45    37.50000  110.70000
   50    44    47    58.35000  112.70000
   50    81    82    35.00000  121.91500
   50    58    59    35.00000  117.00000
   50    58    61    70.00000  124.00000
   58    50    51    35.00000  109.50000
   58    61    62    35.00000  120.00000
   58    61    63    35.00000  120.00000
   61    58    59    35.00000  120.00000
   63    61    62    35.00000  117.00000
   40    33    34    35.00000  109.50000
   40    33    38    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   0.01700  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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    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    38    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    46   0.36750  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    47   0.56750  1.0 1.0
   33    38    44    47  -0.07550 -1.0 2.0
   33    38    44    47   0.20000  1.0 3.0
   33    38    44    50   0.56750  1.0 1.0
   33    38    44    50  -0.07550 -1.0 2.0
   33    38    44    50   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    38    44   0.15000  1.0 3.0
   34    33    40    41   0.19450  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    42    46    52   1.63150  1.0 1.0
   38    42    46    52   2.92000 -1.0 2.0
   38    44    47    48   0.15000  1.0 3.0
   38    44    47    49   0.15000  1.0 3.0
   38    44    47    56   0.56750  1.0 1.0
   38    44    47    56  -0.07550 -1.0 2.0
   38    44    47    56   0.20000  1.0 3.0
   38    44    50    81   0.34400  1.0 1.0
   38    44    50    81   0.09450 -1.0 2.0
   38    44    50    81   0.11100  1.0 3.0
   38    44    50    51   0.15000  1.0 3.0
   38    44    50    58   0.34400  1.0 1.0
   38    44    50    58   0.09450 -1.0 2.0
   38    44    50    58   0.11100  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.00000  1.0 1.0
   39    38    44    45   0.15000  1.0 3.0
   39    38    44    47   0.15000  1.0 3.0
   39    38    44    50   0.15000  1.0 3.0
   42    38    44    45  -0.11250  1.0 3.0
   42    38    44    47  -0.95700  1.0 1.0
   42    38    44    47  -0.18200 -1.0 2.0
   42    38    44    47   0.29450  1.0 3.0
   42    38    44    50  -0.95700  1.0 1.0
   42    38    44    50  -0.18200 -1.0 2.0
   42    38    44    50   0.29450  1.0 3.0
   42    46    52    53   0.08050  1.0 3.0
   42    46    52    54   0.08050  1.0 3.0
   42    46    52    55   0.08050  1.0 3.0
   43    42    46    52   3.00000 -1.0 2.0
   44    38    42    43   0.30150 -1.0 2.0
   44    38    42    46   0.36750  1.0 3.0
   44    47    56    57   0.15000  1.0 3.0
   44    47    56    60  -0.03700  1.0 1.0
   44    47    56    60   0.37200 -1.0 2.0
   44    47    56    60  -0.47300  1.0 3.0
   44    47    56    78   0.56750  1.0 1.0
   44    47    56    78  -0.07550 -1.0 2.0
   44    47    56    78   0.20000  1.0 3.0
   44    50    58    59   0.00000  1.0 1.0
   44    50    58    61   0.09850  1.0 1.0
   44    50    58    61   0.15250 -1.0 2.0
   44    50    58    61  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    56   0.15000  1.0 3.0
   45    44    50    81   0.15000  1.0 3.0
   45    44    50    51   0.15000  1.0 3.0
   45    44    50    58   0.15000  1.0 3.0
   47    44    50    81   0.34400  1.0 1.0
   47    44    50    81   0.09450 -1.0 2.0
   47    44    50    81   0.11100  1.0 3.0
   47    44    50    51   0.15000  1.0 3.0
   47    44    50    58   0.34400  1.0 1.0
   47    44    50    58   0.09450 -1.0 2.0
   47    44    50    58   0.11100  1.0 3.0
   47    56    60    64   0.04150 -1.0 2.0
   47    56    60    65   0.39850  1.0 1.0
   47    56    60    65   0.06450 -1.0 2.0
   47    56    60    65   0.32400  1.0 3.0
   47    56    78    73   0.00000  1.0 1.0
   47    56   -78    81   0.00000  1.0 1.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    60   0.43200  1.0 3.0
   48    47    56    78   0.15000  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    60   0.43200  1.0 3.0
   49    47    56    78   0.15000  1.0 3.0
   56    60    64    67   3.62500 -1.0 2.0
   56    60    64    68   3.62500 -1.0 2.0
   56    60    65    85   3.62500 -1.0 2.0
   56    60    65    66   2.00000 -1.0 2.0
   56    78    81    82   2.00000 -1.0 2.0
   56    78    81    50   2.00000 -1.0 2.0
   57    56    60    64   0.00000  1.0 1.0
   57    56    60    65   0.00000  1.0 1.0
   57    56    78    73   0.00000  1.0 1.0
   57    56    78    81  -0.22200  1.0 3.0
   60    56    78    73   0.00000  1.0 1.0
   60    56    78    81   0.00000  1.0 1.0
   60    64    67    71   3.62500 -1.0 2.0
   60    64   -67    85   3.50000 -1.0 2.0
   60    64    68    69   0.00000  1.0 1.0
   60    64    68    70   0.00000  1.0 1.0
   60    64   -68    73   0.04150 -1.0 2.0
   64    60   -65    85   3.62500 -1.0 2.0
   64    60    65    66   1.40000 -1.0 2.0
   64    67    71    72   3.62500 -1.0 2.0
   64    67    71    76   3.62500 -1.0 2.0
   64    67    85    83   3.00000 -1.0 2.0
   64    67   -85    65   3.00000 -1.0 2.0
   64    68    73    74   0.43200  1.0 3.0
   64    68    73    75   0.43200  1.0 3.0
   64    68    73    78   0.56750  1.0 1.0
   64    68    73    78  -0.07550 -1.0 2.0
   64    68    73    78   0.20000  1.0 3.0
   67    64    68    69   0.00000  1.0 1.0
   67    64    68    70   0.00000  1.0 1.0
   67    64    68    73   0.04150 -1.0 2.0
   67    71    76    77   3.62500 -1.0 2.0
   67    71    76    79   3.62500 -1.0 2.0
   67    85   -65    60   3.62500 -1.0 2.0
   67    85    65    66   1.52500 -1.0 2.0
   71    67    85    83   3.00000 -1.0 2.0
   71    67    85    65   3.00000 -1.0 2.0
   71    76    79    80   3.62500 -1.0 2.0
   71    76   -79    83   3.62500 -1.0 2.0
   72    71    76    77   3.62500 -1.0 2.0
   72    71    76    79   3.62500 -1.0 2.0
   76    79    83    84   3.62500 -1.0 2.0
   76    79    83    85   3.62500 -1.0 2.0
   77    76    79    80   3.62500 -1.0 2.0
   77    76    79    83   3.62500 -1.0 2.0
   79    83   -85    67   3.62500 -1.0 2.0
   79    83    85    65   3.62500 -1.0 2.0
   80    79    83    84   3.62500 -1.0 2.0
   80    79    83    85   3.62500 -1.0 2.0
   83    85    65    60   3.62500 -1.0 2.0
   83    85    65    66   1.52500 -1.0 2.0
   84    83    85    67   3.62500 -1.0 2.0
   84    83    85    65   3.62500 -1.0 2.0
   85    67    71    72   3.50000 -1.0 2.0
   85    67   -71    76   3.50000 -1.0 2.0
   65    60   -64    67   3.62500 -1.0 2.0
   65    60    64    68   3.62500 -1.0 2.0
   68    64    67    71   3.62500 -1.0 2.0
   68    64    67    85   3.62500 -1.0 2.0
   68    73   -78    56   0.00000  1.0 1.0
   68    73    78    81   0.00000  1.0 1.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    78   0.15000  1.0 3.0
   70    68    73    74   0.15000  1.0 3.0
   70    68    73    75   0.15000  1.0 3.0
   70    68    73    78   0.15000  1.0 3.0
   73    78    81    82   2.00000 -1.0 2.0
   73    78    81    50   2.00000 -1.0 2.0
   74    73    78    56   0.00000  1.0 1.0
   74    73    78    81  -0.22200  1.0 3.0
   75    73    78    56   0.00000  1.0 1.0
   75    73    78    81  -0.22200  1.0 3.0
   78    56   -60    64   0.04300 -1.0 2.0
   78    56    60    65   0.04300 -1.0 2.0
   78    81   -50    44   0.00000  1.0 1.0
   78    81    50    51   0.00000  1.0 1.0
   78    81    50    58   0.00000  1.0 1.0
   81    50    58    59   0.00000  1.0 1.0
   81    50    58    61  -0.28300  1.0 1.0
   81    50    58    61   0.26700 -1.0 2.0
   81    50    58    61  -0.63300  1.0 3.0
   82    81    50    44   0.00000  1.0 1.0
   82    81    50    51   0.33100  1.0 3.0
   82    81    50    58   0.00000  1.0 1.0
   50    44    47    48   0.15000  1.0 3.0
   50    44    47    49   0.15000  1.0 3.0
   50    44   -47    56   0.56750  1.0 1.0
   50    44   -47    56  -0.07550 -1.0 2.0
   50    44   -47    56   0.20000  1.0 3.0
   50    58    61    62   7.00000 -1.0 2.0
   50    58    61    63   7.00000 -1.0 2.0
   51    50    58    59   0.33100  1.0 3.0
   51    50    58    61   0.00000  1.0 1.0
   59    58    61    62   7.00000 -1.0 2.0
   59    58    61    63   7.00000 -1.0 2.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    42  -0.09450  1.0 1.0
   40    33    38    42  -1.12950 -1.0 2.0
   40    33    38    42   0.54000  1.0 3.0
   40    33    38    44   0.86500  1.0 1.0
   40    33    38    44  -0.17500 -1.0 2.0
   40    33    38    44   0.20800  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    46    42    43  10.50000 -1.0 2.0
   64    65    60    56   4.00000 -1.0 2.0
   67    68    64    60   4.00000 -1.0 2.0
   71    85    67    64   4.00000 -1.0 2.0
   76    72    71    67   1.10000 -1.0 2.0
   79    77    76    71   1.10000 -1.0 2.0
   83    80    79    76   1.10000 -1.0 2.0
   85    84    83    79   1.10000 -1.0 2.0
   83    65    85    67   4.00000 -1.0 2.0
   66    60    65    85   1.00000 -1.0 2.0
   56    73    78    81   1.00000 -1.0 2.0
   50    82    81    78  10.50000 -1.0 2.0
   50    59    58    61  15.00000 -1.0 2.0
   62    63    61    58  15.00000 -1.0 2.0
END
