* LIGAND DATABASE FILE (OPLS2005)
*
001      97   104    192    344     588
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02020    97.65576    26.16208
    3     1 S   H    _H1_     3     1.02112    35.29468   137.91948
    4     1 S   H    _H2_     4     1.02072    81.56039   -81.74081
    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     1.08610   110.54789    58.78698
   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   _C24    36     1.84266    97.50494  -178.15390
   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   _C12    37     1.53492   112.63765  -180.00000
   38    33 S   CT   _C22    86     1.56625   113.00311   -52.39694
   39    38 S   HC   _H7_    87     1.09778   106.93900    62.77887
   40    33 S   OH   _O37    96     1.44118   105.19137    64.05249
   41    40 S   HO   _H17    97     0.96548   105.61466   -60.14741
   42    37 S   CM   _C11    38     1.35430   122.32269   -57.71497
   43    42 S   CA   _C8_    39     1.47264   121.46356   179.92598
   44    42 S   OH   _O42    94     1.38073   123.57728    -1.83632
   45    44 S   HO   _H24    95     0.96302   109.82570     1.64211
   46    43 S   CA   _C7_    40     1.39771   119.40001    19.57214
   47    46 S   CA   _C6_    41     1.40034   121.55546   177.32555
   48    47 S   HA   _H12    42     1.08762   120.74198  -179.84677
   49    46 S   CO4  _C14    53     1.47581   118.62313    -3.57544
   50    49 S   O    _O34    54     1.22619   118.59071   156.20580
   51    47 S   CA   _C5_    43     1.39188   119.63654     1.21644
   52    37 S   CT   _C13    55     1.54372   116.57278   124.98850
   53    51 S   CA   _C10    44     1.39152   119.78646     0.13417
   54    53 S   HA   _H13    45     1.08774   119.98399   179.24050
   55    51 S   CT   _C4_    49     1.49024   120.11050   179.59846
   56    55 S   HC   _H9_    50     1.09718   110.42321    89.97805
   57    55 S   HC   _H10    51     1.09843   111.33792  -149.51408
   58    55 S   HC   _H11    52     1.09791   111.29051   -30.50979
   59    52 S   CT   _C18    56     1.57526   111.86763   -89.05691
   60    59 S   HC   _H6_    57     1.09559   112.87845   -97.87836
   61    52 S   CT   _C15    82     1.58480   115.04558    28.74925
   62    61 S   HC   _H3_    83     1.09438   113.20922   131.74493
   63    43 S   CA   _C9_    46     1.40386   122.74848  -161.14495
   64    59 S   CO4  _C19    58     1.52722   113.04325    26.67185
   65    64 S   O    _O35    59     1.23100   121.36585  -103.65347
   66    61 S   CT   _C23    84     1.51282   116.17193     2.32877
   67    66 S   HC   _H8_    85     1.09751   110.69137  -170.25283
   68    59 S   CT   _C17    90     1.52522   104.84983   141.12793
   69    68 S   HC   _H5_    91     1.09242   113.82480  -163.09164
   70    63 S   OH   _O33    47     1.36537   122.25893     3.01597
   71    70 S   HO   _H14    48     0.96874   110.00022   179.15420
   72    64 S   CT   _C20    60     1.54158   116.72099    77.95730
   73    72 S   HC   _H15    61     1.09110   109.34801  -147.80088
   74    66 S   OH   _O36    88     1.40945   111.01172    71.09496
   75    74 S   HO   _H16    89     0.97423   107.43412    59.98880
   76    68 S   OH   _O41    92     1.42142   110.81453    76.19523
   77    76 S   HO   _H23    93     0.97155   106.76243    59.97757
   78    72 S   CMA  _C32    62     1.52750   109.46237   100.41106
   79    78 S   OM   _O39    63     1.23094   118.45190    34.39020
   80    78 S   CM   _C31    64     1.47338   119.26500  -148.14523
   81    80 S   CM   _C26    65     1.39025   121.06957     0.74599
   82    81 S   CM   _C27    66     1.40292   119.80714  -178.54330
   83    82 S   HC   _H18    67     1.08768   120.78528  -179.87333
   84    81 S   CO4  _C25    77     1.47525   121.13643     1.57197
   85    84 S   O    _O38    78     1.22942   118.14473  -163.93815
   86    82 S   CM   _C28    68     1.39456   120.25988    -0.47271
   87    72 S   CT   _C21    79     1.54657   109.96460   -27.73221
   88    86 S   CM   _C29    69     1.39139   119.94169     0.10468
   89    88 S   HC   _H19    70     1.08987   118.64332  -179.97202
   90    86 S   CT   _C33    73     1.49189   119.96502  -179.78150
   91    90 S   HC   _H20    74     1.09636   110.35121    90.03329
   92    90 S   HC   _H21    75     1.09797   111.28227  -149.46769
   93    90 S   HC   _H22    76     1.09805   111.24306   -30.45983
   94    87 S   CT   _C16    80     1.58445   110.67350    46.93950
   95    94 S   HC   _H4_    81     1.09659   113.28884   126.97949
   96    80 S   CO4  _C30    71     1.40243   119.16435  -178.34850
   97    96 S   O    _O40    72     1.28517   124.05066    -1.34348
  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  22   9   5   1  12  14   4   1  12  12   4
  12   3   8  16   8   3   4   2   1   1  16   8  14   7   2  12
   5   9   4   8   5   1   1  11   6   3   1   4   1  10   4  11
  11  12   4   6   2   8   2   7   3   4   2   1   1   1   1   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    52    87    66    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    49    52    59    72    84    87    94    61    66    67    38    39    74    44    40    41  
   35    36  
   36  
    0  
   42    43    46    63    49    50    52    59    60    64    87    94    61    62    66    38    39    68    44    45    40    41  
   39    74    75    68    40    41    42    52    61    62    64    66    67    72    73    78    81    84    85    87    94    95  
   74    40    61    66    67    72    84    87    94  
   41    42    52    66    87  
    0  
   43    46    47    53    63    70    49    52    59    61    44    45  
   46    47    48    51    53    54    63    70    71    49    50    52    44    45  
   45    46    52    63  
    0  
   47    48    51    53    63    70    55    49    50    52    59    61  
   48    51    53    54    63    55    56    57    58    49    50    52  
   51    53    55    49  
   50    52    59    60    64    94    61    62    66    68    51    63  
   52    59    61  
   53    54    63    70    55    56    57    58  
   59    60    64    65    72    87    94    95    61    62    66    67    74    68    69    76  
   54    63    70    71    55    56    57    58  
   63    70    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    65    72    73    78    87    94    95    61    62    66    68    69    76    77  
   64    65    72    94    61    68    69    76  
   62    66    67    74    75    68    69    76    64    72    84    87    94    95  
   66    67    74    68    87    94    95  
   70    71  
   65    72    73    78    79    80    84    87    94    68    69    76  
   72    73    78    87    68  
   67    74    75    68    72    84    87    94    95  
   74    75    87    94  
   69    76    77    72    84    87    94    95  
   76    77    87    94    95  
   71  
    0  
   73    78    79    80    81    96    84    85    87    94    95  
   78    79    80    84    87    94  
   75    87    94  
    0  
   77    87    94    95  
   94  
   79    80    81    82    88    96    97    84    87    94  
   80    81    96    87  
   81    82    83    86    88    89    96    97    84    85    87  
   82    83    86    88    96    97    90    84    85    87    94  
   83    86    88    89    96    90    91    92    93    84    85    87  
   86    88    90    84  
   85    87    94    95    86    96  
   87    94  
   88    89    96    97    90    91    92    93  
   94    95  
   89    96    97    90    91    92    93  
   96    97    90  
   91    92    93    96  
   92    93  
   93  
    0  
   95  
    0  
   97  
    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  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   81   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   82   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   83   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   84   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   89   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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    52   317.000  1.510
   42    43   320.000  1.460
   42    44   510.000  1.338
   43    46   469.000  1.400
   43    63   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    55   317.000  1.510
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    70   450.000  1.364
   70    71   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    59   268.000  1.529
   52    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.522
   59    68   268.000  1.529
   64    65   570.000  1.229
   64    72   317.000  1.522
   72    73   340.000  1.090
   72    78   270.000  1.512
   72    87   268.000  1.529
   78    79   745.000  1.250
   78    80   465.000  1.376
   80    81   380.000  1.444
   80    96   320.000  1.462
   81    82   549.000  1.340
   81    84   320.000  1.462
   82    83   340.000  1.080
   82    86   380.000  1.444
   86    88   549.000  1.340
   86    90   317.000  1.510
   88    89   340.000  1.080
   88    96   320.000  1.462
   96    97   570.000  1.229
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   84    85   570.000  1.229
   84    87   317.000  1.522
   87    94   268.000  1.529
   87    38   268.000  1.529
   94    95   340.000  1.090
   94    61   268.000  1.529
   94    68   268.000  1.529
   61    62   340.000  1.090
   61    66   268.000  1.529
   66    67   340.000  1.090
   66    38   268.000  1.529
   66    74   320.000  1.410
   38    39   340.000  1.090
   74    75   553.000  0.945
   68    69   340.000  1.090
   68    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    52    65.00000  117.92700
   33    38    87    58.35000  112.70000
   33    38    66    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    52    49    70.00000  109.06800
   37    52    59    70.00000  112.02700
   37    52    61    70.00000  112.02700
   42    43    46    60.00000  120.93500
   42    43    63    60.00000  120.93500
   42    44    45    70.00000  107.45700
   43    46    47    63.00000  120.00000
   43    46    49    60.00000  119.52600
   43    63    53    63.00000  120.00000
   43    63    70    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    52    65.00000  115.47100
   47    51    53    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    63    63.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   53    63    70    70.00000  120.00000
   63    43    46    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    70    71    35.00000  113.00000
   55    51    53    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   49    46    47    60.00000  119.52600
   49    52    59    63.00000  111.10000
   49    52    61    63.00000  111.10000
   52    37    42    70.00000  124.00000
   52    49    50    80.00000  120.40000
   52    59    60    37.50000  110.70000
   52    59    64    63.00000  111.10000
   52    59    68    58.35000  112.70000
   52    61    94    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    66    58.35000  112.70000
   59    64    65    80.00000  120.40000
   59    64    72    70.00000  116.00000
   59    68    94    58.35000  112.70000
   59    68    69    37.50000  110.70000
   59    68    76    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    72    73    35.00000  109.50000
   64    72    78    70.00000  109.06800
   64    72    87    63.00000  111.10000
   72    64    65    80.00000  120.40000
   72    78    79    85.00000  112.85300
   72    78    80    65.00000  122.18000
   72    87    84    63.00000  111.10000
   72    87    94    58.35000  112.70000
   72    87    38    58.35000  112.70000
   78    72    73    45.00000  110.52000
   78    80    81    70.00000  117.34000
   78    80    96    60.00000  125.92000
   80    78    79    65.00000  137.10300
   80    81    82    70.00000  123.01800
   80    81    84    65.00000  118.96000
   80    96    88    65.00000  118.65900
   80    96    97    80.00000  123.72100
   81    82    83    35.00000  120.00000
   81    82    86    70.00000  123.01800
   81    84    85    80.00000  123.72100
   81    84    87    65.00000  118.62400
   82    86    88    70.00000  123.01800
   82    86    90    70.00000  124.00000
   86    82    83    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    96    65.00000  118.96000
   86    90    91    35.00000  109.50000
   86    90    92    35.00000  109.50000
   86    90    93    35.00000  109.50000
   88    96    97    80.00000  123.72100
   96    80    81    65.00000  118.96000
   96    88    89    40.00000  117.72500
   90    86    88    70.00000  124.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   84    81    82    65.00000  118.96000
   84    87    94    63.00000  111.10000
   84    87    38    63.00000  111.10000
   87    72    73    37.50000  110.70000
   87    72    78    70.00000  112.02700
   87    84    85    80.00000  120.40000
   87    94    95    37.50000  110.70000
   87    94    61    58.35000  112.70000
   87    94    68    58.35000  112.70000
   87    38    66    58.35000  112.70000
   87    38    39    37.50000  110.70000
   94    61    62    37.50000  110.70000
   94    61    66    58.35000  112.70000
   94    68    69    37.50000  110.70000
   94    68    76    50.00000  109.50000
   61    52    59    58.35000  112.70000
   61    94    95    37.50000  110.70000
   61    66    67    37.50000  110.70000
   61    66    38    58.35000  112.70000
   61    66    74    50.00000  109.50000
   66    61    62    37.50000  110.70000
   66    38    39    37.50000  110.70000
   66    74    75    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    87    94    58.35000  112.70000
   38    66    67    37.50000  110.70000
   74    66    67    35.00000  109.50000
   74    66    38    50.00000  109.50000
   68    59    60    37.50000  110.70000
   68    59    64    63.00000  111.10000
   68    94    95    37.50000  110.70000
   68    94    61    58.35000  112.70000
   68    76    77    55.00000  108.50000
   76    68    69    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
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    52   0.30250  1.0 1.0
   29    33    37    52  -0.14950 -1.0 2.0
   29    33    37    52   0.36900  1.0 3.0
   29    33    38    87   0.44750  1.0 1.0
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   61    66    74    75  -0.09450 -1.0 2.0
   61    66    74    75   0.21250  1.0 3.0
   62    61    66    67   0.15000  1.0 3.0
   62    61    66    38   0.15000  1.0 3.0
   62    61    66    74   0.23400  1.0 3.0
   67    66    38    33   0.15000  1.0 3.0
   67    66    38    87   0.15000  1.0 3.0
   67    66    38    39   0.15000  1.0 3.0
   67    66    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    52   0.46850  1.0 1.0
   38    33   -37    52   0.08550 -1.0 2.0
   38    33   -37    52   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    87    94    95   0.15000  1.0 3.0
   38    87   -94    61   0.56750  1.0 1.0
   38    87   -94    61  -0.07550 -1.0 2.0
   38    87   -94    61   0.20000  1.0 3.0
   38    87    94    68   0.56750  1.0 1.0
   38    87    94    68  -0.07550 -1.0 2.0
   38    87    94    68   0.20000  1.0 3.0
   38    66    74    75  -0.11600  1.0 1.0
   38    66    74    75  -0.09450 -1.0 2.0
   38    66    74    75   0.21250  1.0 3.0
   74    66    38    33   0.86500  1.0 1.0
   74    66    38    33  -0.17500 -1.0 2.0
   74    66    38    33   0.20800  1.0 3.0
   74    66    38    87   0.86500  1.0 1.0
   74    66    38    87  -0.17500 -1.0 2.0
   74    66    38    87   0.20800  1.0 3.0
   74    66    38    39   0.23400  1.0 3.0
   68    59    64    65   0.30150 -1.0 2.0
   68    59   -64    72   0.60050  1.0 1.0
   68    59   -64    72   0.05600 -1.0 2.0
   68    59   -64    72   0.26150  1.0 3.0
   68    94   -61    52   0.56750  1.0 1.0
   68    94   -61    52  -0.07550 -1.0 2.0
   68    94   -61    52   0.20000  1.0 3.0
   68    94    61    62   0.15000  1.0 3.0
   68    94    61    66   0.56750  1.0 1.0
   68    94    61    66  -0.07550 -1.0 2.0
   68    94    61    66   0.20000  1.0 3.0
   69    68    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    63  -0.01750  1.0 1.0
   44    42    43    63  -0.32000 -1.0 2.0
   44    42    43    63   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    52   0.18000  1.0 1.0
   40    33    37    52   0.16450 -1.0 2.0
   40    33    37    52   0.04450  1.0 3.0
   40    33    38    87   0.86500  1.0 1.0
   40    33    38    87  -0.17500 -1.0 2.0
   40    33    38    87   0.20800  1.0 3.0
   40    33    38    66   0.86500  1.0 1.0
   40    33    38    66  -0.17500 -1.0 2.0
   40    33    38    66   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    52    37    42   1.10000 -1.0 2.0
   43    44    42    37   1.10000 -1.0 2.0
   46    63    43    42   4.00000 -1.0 2.0
   47    49    46    43   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   53    55    51    47   4.00000 -1.0 2.0
   63    54    53    51   1.10000 -1.0 2.0
   53    70    63    43   4.00000 -1.0 2.0
   46    52    49    50  10.50000 -1.0 2.0
   59    72    64    65  10.50000 -1.0 2.0
   72    79    78    80   1.10000 -1.0 2.0
   81    96    80    78   1.10000 -1.0 2.0
   80    84    81    82   1.10000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   82    90    86    88   1.10000 -1.0 2.0
   96    89    88    86   1.10000 -1.0 2.0
   80    88    96    97  10.50000 -1.0 2.0
   81    87    84    85  10.50000 -1.0 2.0
END
