* LIGAND DATABASE FILE (OPLS2005)
*
001      99   106    192    344     589
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02033   106.63517   -14.70957
    3     1 S   H    _H1_     3     1.02143    56.27002    87.01626
    4     1 S   H    _H2_     4     1.02131    55.86788  -116.30233
    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     1.08583   110.55165    58.73304
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   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   _C22    36     1.84466    97.43051  -158.14558
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C23    37     1.54013   112.42574   179.97202
   38    33 S   CT   _C20    88     1.56823   112.25755   -53.53651
   39    38 S   HC   _H7_    89     1.09924   108.66429    61.56977
   40    33 S   OH   _O37    98     1.43751   105.48381    63.48693
   41    40 S   HO   _H16    99     0.96584   105.82187   -60.02050
   42    37 S   CM   _C24    38     1.35371   122.28557   -57.50219
   43    42 S   CA   _C8_    39     1.47366   121.37153  -179.05023
   44    42 S   OH   _O36    96     1.38014   123.68958    -1.31403
   45    44 S   HO   _H15    97     0.96346   109.75254     2.16021
   46    43 S   CA   _C9_    40     1.39802   119.37544    20.33279
   47    46 S   CA   _C10    41     1.39944   121.63678   177.00285
   48    46 S   CO4  _C11    54     1.47567   118.48616    -4.04651
   49    48 S   O    _O34    55     1.22728   119.52564   153.40770
   50    47 S   CA   _C5_    42     1.39179   119.52697     1.28146
   51    47 S   OH   _O33    52     1.36358   121.80396   179.27801
   52    51 S   HO   _H13    53     0.97015   110.06508     0.01978
   53    37 S   CT   _C12    56     1.54772   116.86128   125.87041
   54    50 S   CA   _C6_    43     1.39217   119.86340     0.07133
   55    54 S   HA   _H12    44     1.08812   120.04040   179.29169
   56    50 S   CT   _C4_    48     1.49352   121.00061   179.50623
   57    56 S   HC   _H9_    49     1.09633   110.28166   -89.40588
   58    56 S   HC   _H10    50     1.09719   111.22160    31.05845
   59    56 S   HC   _H11    51     1.09740   111.20273   150.10502
   60    53 S   CT   _C16    57     1.59981   112.99135   -91.10620
   61    60 S   HC   _H6_    58     1.10030   110.75857  -102.49086
   62    53 S   CT   _C13    84     1.58536   114.70050    27.38911
   63    62 S   HC   _H3_    85     1.09482   113.53187   132.02516
   64    43 S   CA   _C7_    45     1.40359   122.76202  -160.71103
   65    60 S   CO4  _C17    59     1.54407   116.15420    27.72717
   66    65 S   O    _O42    60     1.26257   110.87709  -121.05071
   67    62 S   CT   _C21    86     1.51271   117.03816     1.59410
   68    67 S   HC   _H8_    87     1.09758   110.86288  -168.55461
   69    60 S   CT   _C15    92     1.53585   103.88883   140.54839
   70    69 S   HC   _H5_    93     1.09614   113.92356  -162.01406
   71    64 S   OH   _O44    46     1.36554   122.20623     3.36173
   72    71 S   HO   _H24    47     0.96880   109.99882   179.12129
   73    65 S   CM   _C18    61     1.36402   115.37386    61.99784
   74    67 S   OH   _O35    90     1.41068   111.02029    72.65390
   75    74 S   HO   _H14    91     0.97439   107.33952    59.97423
   76    69 S   OH   _O43    94     1.42051   111.05204    76.42729
   77    76 S   HO   _H23    95     0.97112   106.84131    59.99971
   78    73 S   CMA  _C33    62     1.50026   119.79855   174.01552
   79    78 S   OM   _O41    63     1.22566   122.01480     0.70471
   80    78 S   CA   _C27    64     1.47521   117.77490  -178.35004
   81    80 S   CA   _C26    65     1.39121   121.38114    13.96757
   82    81 S   CA   _C31    66     1.40011   120.34185   177.57828
   83    81 S   CO4  _C25    79     1.47312   120.22205    -2.01266
   84    83 S   O    _O38    80     1.22712   119.55417   155.37364
   85    82 S   CA   _C30    67     1.39407   119.96286     0.58148
   86    82 S   OH   _O39    77     1.36497   121.85193   178.89147
   87    86 S   HO   _H18    78     0.96864   110.02843     0.00000
   88    73 S   CT   _C19    81     1.52468   120.26512    -7.35863
   89    85 S   CA   _C29    68     1.39254   119.97110    -0.27268
   90    89 S   HA   _H17    69     1.08741   120.13027   179.75292
   91    85 S   CT   _C32    73     1.49371   121.00233   179.43283
   92    91 S   HC   _H19    74     1.09602   110.24375   -89.68605
   93    91 S   HC   _H20    75     1.09667   111.16647    30.76778
   94    91 S   HC   _H21    76     1.09688   111.18217   149.77452
   95    88 S   CT   _C14    82     1.58780   110.62024    31.99945
   96    95 S   HC   _H4_    83     1.09533   114.82464   133.80821
   97    80 S   CA   _C28    70     1.40147   119.13078  -168.02778
   98    97 S   OH   _O40    71     1.36455   122.85316     2.86676
   99    98 S   HO   _H22    72     0.96953   110.04582    -0.91429
  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
  19   2   1   1  22  21   9   5   1  12  14   4   1  13  13  13
   3  10   3   1  16   8   3   4   2   1   1  15   8  14   7   2
  11   4   9   4   8   5   1   1  10   3   1   4   1  10   4  12
  12  13   7   2  10   3   1   2   8   3   4   2   1   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    53    88    67    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    53    60    73    83    88    95    62    67    68    38    39    74    44    40    41  
   35    36  
   36  
    0  
   42    43    46    64    48    49    53    60    61    65    88    95    62    63    67    38    39    69    44    45    40    41  
   39    74    75    69    40    41    42    53    62    63    65    67    68    73    78    81    83    84    88    95    96  
   74    40    62    67    68    73    83    88    95  
   41    42    53    67    88  
    0  
   43    46    47    54    64    71    48    53    60    62    44    45  
   46    47    50    54    55    64    71    72    51    48    49    53    44    45  
   45    46    53    64  
    0  
   47    50    54    64    71    56    51    52    48    49    53    60    62  
   50    54    55    64    56    57    58    59    51    52    48    49    53  
   49    53    60    61    65    95    62    63    67    69    50    51    64  
   53    60    62  
   54    55    64    71    56    57    58    59    51    52  
   52    54    56  
    0  
   60    61    65    66    73    88    95    96    62    63    67    68    74    69    70    76  
   55    64    71    72    56    57    58    59  
   64    71    56  
   57    58    59    64  
   58    59  
   59  
    0  
   61    65    66    73    78    88    95    96    62    63    67    69    70    76    77  
   65    66    73    95    62    69    70    76  
   63    67    68    74    75    69    70    76    65    73    83    88    95    96  
   67    68    74    69    88    95    96  
   71    72  
   66    73    78    79    80    83    88    95    69    70    76  
   73    78    88    69  
   68    74    75    69    73    83    88    95    96  
   74    75    88    95  
   70    76    77    73    83    88    95    96  
   76    77    88    95    96  
   72  
    0  
   78    79    80    81    97    83    84    88    95    96  
   75    88    95  
    0  
   77    88    95    96  
   95  
   79    80    81    82    89    97    98    83    88    95  
   80    81    97    88  
   81    82    85    89    90    97    98    99    86    83    84    88  
   82    85    89    97    98    91    86    87    83    84    88    95  
   85    89    90    97    91    92    93    94    86    87    83    84    88  
   84    88    95    96    85    86    97  
   88    95  
   89    90    97    98    91    92    93    94    86    87  
   87    89    91  
    0  
   95    96  
   90    97    98    99    91    92    93    94  
   97    98    91  
   92    93    94    97  
   93    94  
   94  
    0  
   96  
    0  
   98    99  
   99  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   80   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   83   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   86   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   89   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   90   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   91   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   98   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   549.000  1.340
   37    53   317.000  1.510
   42    43   320.000  1.460
   42    44   510.000  1.338
   43    46   469.000  1.400
   43    64   469.000  1.400
   46    47   469.000  1.400
   46    48   310.000  1.470
   47    50   469.000  1.400
   47    51   450.000  1.364
   50    54   469.000  1.400
   50    56   317.000  1.510
   54    55   367.000  1.080
   54    64   469.000  1.400
   64    71   450.000  1.364
   71    72   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   51    52   553.000  0.945
   48    49   570.000  1.229
   48    53   317.000  1.522
   53    60   268.000  1.529
   53    62   268.000  1.529
   60    61   340.000  1.090
   60    65   317.000  1.522
   60    69   268.000  1.529
   65    66   570.000  1.229
   65    73   320.000  1.462
   73    78   465.000  1.376
   73    88   317.000  1.510
   78    79   745.000  1.250
   78    80   320.000  1.460
   80    81   469.000  1.400
   80    97   469.000  1.400
   81    82   469.000  1.400
   81    83   310.000  1.470
   82    85   469.000  1.400
   82    86   450.000  1.364
   85    89   469.000  1.400
   85    91   317.000  1.510
   89    90   367.000  1.080
   89    97   469.000  1.400
   97    98   450.000  1.364
   98    99   553.000  0.945
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   86    87   553.000  0.945
   83    84   570.000  1.229
   83    88   317.000  1.522
   88    95   268.000  1.529
   88    38   268.000  1.529
   95    96   340.000  1.090
   95    62   268.000  1.529
   95    69   268.000  1.529
   62    63   340.000  1.090
   62    67   268.000  1.529
   67    68   340.000  1.090
   67    38   268.000  1.529
   67    74   320.000  1.410
   38    39   340.000  1.090
   74    75   553.000  0.945
   69    70   340.000  1.090
   69    76   320.000  1.410
   76    77   553.000  0.945
   44    45   553.000  0.945
   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    53    65.00000  117.92700
   33    38    88    58.35000  112.70000
   33    38    67    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    40    41    55.00000  108.50000
   37    42    43    60.00000  123.20500
   37    42    44    80.00000  121.38400
   37    53    48    70.00000  109.06800
   37    53    60    70.00000  112.02700
   37    53    62    70.00000  112.02700
   42    43    46    60.00000  120.93500
   42    43    64    60.00000  120.93500
   42    44    45    70.00000  107.45700
   43    46    47    63.00000  120.00000
   43    46    48    60.00000  119.52600
   43    64    54    63.00000  120.00000
   43    64    71    70.00000  120.00000
   46    47    50    63.00000  120.00000
   46    47    51    70.00000  120.00000
   46    48    49    75.00000  123.78400
   46    48    53    65.00000  115.47100
   47    50    54    63.00000  120.00000
   47    50    56    70.00000  120.00000
   47    51    52    35.00000  113.00000
   50    54    55    35.00000  120.00000
   50    54    64    63.00000  120.00000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    35.00000  109.50000
   54    64    71    70.00000  120.00000
   64    43    46    63.00000  120.00000
   64    54    55    35.00000  120.00000
   64    71    72    35.00000  113.00000
   56    50    54    70.00000  120.00000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   51    47    50    70.00000  120.00000
   48    46    47    60.00000  119.52600
   48    53    60    63.00000  111.10000
   48    53    62    63.00000  111.10000
   53    37    42    70.00000  124.00000
   53    48    49    80.00000  120.40000
   53    60    61    37.50000  110.70000
   53    60    65    63.00000  111.10000
   53    60    69    58.35000  112.70000
   53    62    95    58.35000  112.70000
   53    62    63    37.50000  110.70000
   53    62    67    58.35000  112.70000
   60    65    66    80.00000  120.40000
   60    65    73    65.00000  118.62400
   60    69    95    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    76    50.00000  109.50000
   65    60    61    35.00000  109.50000
   65    73    78    60.00000  125.92000
   65    73    88    65.00000  116.34900
   73    65    66    80.00000  123.72100
   73    78    79    65.00000  137.10300
   73    78    80    60.00000  123.20500
   73    88    83    70.00000  109.06800
   73    88    95    70.00000  112.02700
   73    88    38    70.00000  112.02700
   78    80    81    60.00000  120.93500
   78    80    97    60.00000  120.93500
   80    78    79    85.00000  114.86500
   80    81    82    63.00000  120.00000
   80    81    83    60.00000  119.52600
   80    97    89    63.00000  120.00000
   80    97    98    70.00000  120.00000
   81    82    85    63.00000  120.00000
   81    82    86    70.00000  120.00000
   81    83    84    75.00000  123.78400
   81    83    88    65.00000  115.47100
   82    85    89    63.00000  120.00000
   82    85    91    70.00000  120.00000
   82    86    87    35.00000  113.00000
   85    89    90    35.00000  120.00000
   85    89    97    63.00000  120.00000
   85    91    92    35.00000  109.50000
   85    91    93    35.00000  109.50000
   85    91    94    35.00000  109.50000
   89    97    98    70.00000  120.00000
   97    80    81    63.00000  120.00000
   97    89    90    35.00000  120.00000
   97    98    99    35.00000  113.00000
   91    85    89    70.00000  120.00000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   86    82    85    70.00000  120.00000
   83    81    82    60.00000  119.52600
   83    88    95    63.00000  111.10000
   83    88    38    63.00000  111.10000
   88    73    78    70.00000  124.00000
   88    83    84    80.00000  120.40000
   88    95    96    37.50000  110.70000
   88    95    62    58.35000  112.70000
   88    95    69    58.35000  112.70000
   88    38    67    58.35000  112.70000
   88    38    39    37.50000  110.70000
   95    62    63    37.50000  110.70000
   95    62    67    58.35000  112.70000
   95    69    70    37.50000  110.70000
   95    69    76    50.00000  109.50000
   62    53    60    58.35000  112.70000
   62    95    96    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    38    58.35000  112.70000
   62    67    74    50.00000  109.50000
   67    62    63    37.50000  110.70000
   67    38    39    37.50000  110.70000
   67    74    75    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    88    95    58.35000  112.70000
   38    67    68    37.50000  110.70000
   74    67    68    35.00000  109.50000
   74    67    38    50.00000  109.50000
   69    60    61    37.50000  110.70000
   69    60    65    63.00000  111.10000
   69    95    96    37.50000  110.70000
   69    95    62    58.35000  112.70000
   69    76    77    55.00000  108.50000
   76    69    70    35.00000  109.50000
   44    42    43    85.00000  114.86500
   40    33    37    90.00000  110.39200
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  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
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   63    62    67    68   0.15000  1.0 3.0
   63    62    67    38   0.15000  1.0 3.0
   63    62    67    74   0.23400  1.0 3.0
   68    67    38    33   0.15000  1.0 3.0
   68    67    38    88   0.15000  1.0 3.0
   68    67    38    39   0.15000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   38    33    37    42   0.09850  1.0 1.0
   38    33    37    42   0.15250 -1.0 2.0
   38    33    37    42  -0.50650  1.0 3.0
   38    33   -37    53   0.46850  1.0 1.0
   38    33   -37    53   0.08550 -1.0 2.0
   38    33   -37    53   0.09800  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    88    95    96   0.15000  1.0 3.0
   38    88   -95    62   0.56750  1.0 1.0
   38    88   -95    62  -0.07550 -1.0 2.0
   38    88   -95    62   0.20000  1.0 3.0
   38    88    95    69   0.56750  1.0 1.0
   38    88    95    69  -0.07550 -1.0 2.0
   38    88    95    69   0.20000  1.0 3.0
   38    67    74    75  -0.11600  1.0 1.0
   38    67    74    75  -0.09450 -1.0 2.0
   38    67    74    75   0.21250  1.0 3.0
   74    67    38    33   0.86500  1.0 1.0
   74    67    38    33  -0.17500 -1.0 2.0
   74    67    38    33   0.20800  1.0 3.0
   74    67    38    88   0.86500  1.0 1.0
   74    67    38    88  -0.17500 -1.0 2.0
   74    67    38    88   0.20800  1.0 3.0
   74    67    38    39   0.23400  1.0 3.0
   69    60    65    66   0.30150 -1.0 2.0
   69    60   -65    73   0.65300  1.0 1.0
   69    60   -65    73  -0.03850 -1.0 2.0
   69    60   -65    73   0.33900  1.0 3.0
   69    95   -62    53   0.56750  1.0 1.0
   69    95   -62    53  -0.07550 -1.0 2.0
   69    95   -62    53   0.20000  1.0 3.0
   69    95    62    63   0.15000  1.0 3.0
   69    95    62    67   0.56750  1.0 1.0
   69    95    62    67  -0.07550 -1.0 2.0
   69    95    62    67   0.20000  1.0 3.0
   70    69    76    77   0.19450  1.0 3.0
   44    42    43    46  -0.01750  1.0 1.0
   44    42    43    46  -0.32000 -1.0 2.0
   44    42    43    46   0.00600  1.0 3.0
   44    42    43    64  -0.01750  1.0 1.0
   44    42    43    64  -0.32000 -1.0 2.0
   44    42    43    64   0.00600  1.0 3.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    53   0.18000  1.0 1.0
   40    33    37    53   0.16450 -1.0 2.0
   40    33    37    53   0.04450  1.0 3.0
   40    33    38    88   0.86500  1.0 1.0
   40    33    38    88  -0.17500 -1.0 2.0
   40    33    38    88   0.20800  1.0 3.0
   40    33    38    67   0.86500  1.0 1.0
   40    33    38    67  -0.17500 -1.0 2.0
   40    33    38    67   0.20800  1.0 3.0
   40    33    38    39   0.23400  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
   35    30    34    36  10.50000 -1.0 2.0
   33    53    37    42   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   46    64    43    42   4.00000 -1.0 2.0
   47    48    46    43   4.00000 -1.0 2.0
   50    51    47    46   4.00000 -1.0 2.0
   54    56    50    47   4.00000 -1.0 2.0
   64    55    54    50   1.10000 -1.0 2.0
   54    71    64    43   4.00000 -1.0 2.0
   46    53    48    49  10.50000 -1.0 2.0
   60    73    65    66  10.50000 -1.0 2.0
   65    88    73    78   1.10000 -1.0 2.0
   80    79    78    73   1.10000 -1.0 2.0
   81    97    80    78   4.00000 -1.0 2.0
   82    83    81    80   4.00000 -1.0 2.0
   85    86    82    81   4.00000 -1.0 2.0
   89    91    85    82   4.00000 -1.0 2.0
   97    90    89    85   1.10000 -1.0 2.0
   89    98    97    80   4.00000 -1.0 2.0
   81    88    83    84  10.50000 -1.0 2.0
END
