* LIGAND DATABASE FILE (OPLS2005)
*
001     100   107    195    350     600
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034   106.62554   -15.22373
    3     1 S   H    _H1_     3     1.02048    56.59585    86.53814
    4     1 S   H    _H2_     4     1.02131    55.51496  -116.80331
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C17    36     1.86337    96.85177  -158.13213
   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   _C18    37     1.69053   111.08874  -179.98022
   38    33 S   CT   _C16    89     1.73160   112.48117   -50.69139
   39    38 S   HC   _H6_    90     1.09400   110.93395    65.16655
   40    33 S   OH   _O42    99     1.43988   105.18195    65.21302
   41    40 S   HO   _H23   100     0.96537   105.69619   -62.04547
   42    37 S   CM   _C19    38     1.35012   122.27914   -62.03711
   43    42 S   CA   _C20    39     1.48280   120.47127  -167.86531
   44    42 S   OH   _O41    97     1.37785   123.63806     6.03955
   45    44 S   HO   _H22    98     0.96255   109.95723     5.81952
   46    43 S   CA   _C25    40     1.40865   120.06420    22.00008
   47    46 S   CA   _C24    41     1.39793   121.74363   175.23626
   48    46 S   CO4  _C26    54     1.47920   118.72666    -6.81437
   49    48 S   O    _O35    55     1.22317   122.35965   152.30282
   50    47 S   CA   _C23    42     1.39229   119.33224     1.26362
   51    47 S   OH   _O39    52     1.36319   121.62764   179.40324
   52    51 S   HO   _H17    53     0.96911   110.14535     0.06561
   53    37 S   CT   _C27    56     1.60235   119.12736   129.74270
   54    50 S   CA   _C22    43     1.39331   119.98987     0.11191
   55    54 S   HA   _H14    44     1.08782   119.92256   179.31101
   56    50 S   CT   _C33    48     1.49262   120.90030   179.45464
   57    56 S   HC   _H18    49     1.09598   110.29236   -89.31295
   58    56 S   HC   _H19    50     1.09715   111.18432    31.17985
   59    56 S   HC   _H20    51     1.09670   111.20609   150.17100
   60    53 S   CT   _C28    57     1.71638   131.44137   -83.41305
   61    60 S   HC   _H7_    58     1.09285   114.28896  -113.28733
   62    53 S   CT   _C14    85     1.43210    96.74506     7.75170
   63    62 S   HC   _H4_    86     1.09894   105.19608   162.69381
   64    43 S   CA   _C21    45     1.40226   122.13288  -160.96233
   65    60 S   CO4  _C30    59     1.70240   117.57791   115.04950
   66    65 S   O    _O37    60     1.23027   121.16140   122.29235
   67    62 S   CT   _C15    87     1.49493   136.63788    43.13234
   68    67 S   HC   _H5_    88     1.09504   112.95951   151.97675
   69    60 S   CT   _C29    93     1.47353   102.36749    12.69178
   70    69 S   HC   _H8_    94     1.09662   109.92651   -66.93091
   71    64 S   OH   _O40    46     1.36597   122.11585     4.87548
   72    71 S   HO   _H21    47     0.96830   110.01947   179.27476
   73    65 S   CT   _C31    61     1.74610   117.13165   -57.06410
   74    73 S   HC   _H16    62     1.09866   105.89117   116.53215
   75    67 S   OH   _O43    91     1.40229   113.45040    29.67762
   76    75 S   HO   _H24    92     0.97630   107.87956    59.98178
   77    69 S   OH   _O36    95     1.40314   116.92221   168.96540
   78    77 S   HO   _H15    96     0.97602   107.76646  -179.98022
   79    73 S   CO4  _C32    63     1.52012   107.09270  -132.61124
   80    79 S   O    _O38    64     1.23013   119.63089   -67.48954
   81    79 S   CA   _C8_    65     1.47403   119.75580   110.99190
   82    81 S   CA   _C9_    66     1.39247   121.76486    20.84092
   83    82 S   CA   _C10    67     1.40210   119.92296   179.24411
   84    82 S   CO4  _C11    80     1.47270   121.36494     0.91749
   85    84 S   O    _O34    81     1.22827   120.03313   156.24888
   86    83 S   CA   _C5_    68     1.39487   120.18652     0.32626
   87    83 S   OH   _O33    78     1.36599   121.88640   178.71275
   88    87 S   HO   _H13    79     0.96860   109.98752     0.02798
   89    73 S   CT   _C12    82     1.61218   116.26224    -3.06439
   90    86 S   CA   _C6_    69     1.39107   119.94723    -0.39515
   91    90 S   HA   _H12    70     1.08793   120.08184   179.79729
   92    86 S   CT   _C4_    74     1.49400   120.93150   179.50782
   93    92 S   HC   _H9_    75     1.09548   110.24817   -89.93951
   94    92 S   HC   _H10    76     1.09631   111.19097    30.68600
   95    92 S   HC   _H11    77     1.09786   111.13877   149.66048
   96    89 S   CT   _C13    83     1.43595    94.17908    -5.12839
   97    96 S   HC   _H3_    84     1.07938   105.07246  -166.03791
   98    81 S   CA   _C7_    71     1.40188   118.62870  -159.90809
   99    98 S   OH   _O44    72     1.36496   122.68108     1.87409
  100    99 S   HO   _H25    73     0.96939   110.09323    -1.39718
  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  13  13  13
   3  10   3   1  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
  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    89    67    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    48    53    60    73    84    89    96    62    67    68    38    39    75    44    40    41  
   35    36  
   36  
    0  
   42    43    46    64    48    49    53    60    61    65    89    96    62    63    67    38    39    69    44    45    40    41  
   39    75    76    69    40    41    42    53    62    63    65    67    68    73    74    79    82    84    85    89    96    97  
   75    40    62    67    68    73    84    89    96  
   41    42    53    67    89  
    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    96    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    89    96    97    62    63    67    68    75    69    70    77  
   55    64    71    72    56    57    58    59  
   64    71    56  
   57    58    59    64  
   58    59  
   59  
    0  
   61    65    66    73    74    79    89    96    97    62    63    67    69    70    77    78  
   65    66    73    96    62    69    70    77  
   63    67    68    75    76    69    70    77    65    73    84    89    96    97  
   67    68    75    69    89    96    97  
   71    72  
   66    73    74    79    80    81    84    89    96    69    70    77  
   73    74    79    89    69  
   68    75    76    69    73    84    89    96    97  
   75    76    89    96  
   70    77    78    73    84    89    96    97  
   77    78    89    96    97  
   72  
    0  
   74    79    80    81    82    98    84    85    89    96    97  
   79    80    81    84    89    96  
   76    89    96  
    0  
   78    89    96    97  
   96  
   80    81    82    83    90    98    99    84    89    96  
   81    82    98    89  
   82    83    86    90    91    98    99   100    87    84    85    89  
   83    86    90    98    99    92    87    88    84    85    89    96  
   86    90    91    98    92    93    94    95    87    88    84    85    89  
   85    89    96    97    86    87    98  
   89    96  
   90    91    98    99    92    93    94    95    87    88  
   88    90    92  
    0  
   96    97  
   91    98    99   100    92    93    94    95  
   98    99    92  
   93    94    95    98  
   94    95  
   95  
    0  
   97  
    0  
   99   100  
  100  
    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   1.4250   1.2500   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.7500   0.1050   0.585000   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   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   90   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   92   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   99   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
  100   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   317.000  1.522
   73    74   340.000  1.090
   73    79   317.000  1.522
   73    89   268.000  1.529
   79    80   570.000  1.229
   79    81   310.000  1.470
   81    82   469.000  1.400
   81    98   469.000  1.400
   82    83   469.000  1.400
   82    84   310.000  1.470
   83    86   469.000  1.400
   83    87   450.000  1.364
   86    90   469.000  1.400
   86    92   317.000  1.510
   90    91   367.000  1.080
   90    98   469.000  1.400
   98    99   450.000  1.364
   99   100   553.000  0.945
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   87    88   553.000  0.945
   84    85   570.000  1.229
   84    89   317.000  1.522
   89    96   268.000  1.529
   89    38   268.000  1.529
   96    97   340.000  1.090
   96    62   268.000  1.529
   96    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    75   320.000  1.410
   38    39   340.000  1.090
   75    76   553.000  0.945
   69    70   340.000  1.090
   69    77   320.000  1.410
   77    78   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    89    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    96    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    70.00000  116.00000
   60    69    96    58.35000  112.70000
   60    69    70    37.50000  110.70000
   60    69    77    50.00000  109.50000
   65    60    61    35.00000  109.50000
   65    73    74    35.00000  109.50000
   65    73    79    75.00000  107.99600
   65    73    89    63.00000  111.10000
   73    65    66    80.00000  120.40000
   73    79    80    80.00000  120.40000
   73    79    81    65.00000  115.47100
   73    89    84    63.00000  111.10000
   73    89    96    58.35000  112.70000
   73    89    38    58.35000  112.70000
   79    73    74    35.00000  109.50000
   79    81    82    60.00000  119.52600
   79    81    98    60.00000  119.52600
   81    79    80    75.00000  123.78400
   81    82    83    63.00000  120.00000
   81    82    84    60.00000  119.52600
   81    98    90    63.00000  120.00000
   81    98    99    70.00000  120.00000
   82    83    86    63.00000  120.00000
   82    83    87    70.00000  120.00000
   82    84    85    75.00000  123.78400
   82    84    89    65.00000  115.47100
   83    86    90    63.00000  120.00000
   83    86    92    70.00000  120.00000
   83    87    88    35.00000  113.00000
   86    90    91    35.00000  120.00000
   86    90    98    63.00000  120.00000
   86    92    93    35.00000  109.50000
   86    92    94    35.00000  109.50000
   86    92    95    35.00000  109.50000
   90    98    99    70.00000  120.00000
   98    81    82    63.00000  120.00000
   98    90    91    35.00000  120.00000
   98    99   100    35.00000  113.00000
   92    86    90    70.00000  120.00000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   87    83    86    70.00000  120.00000
   84    82    83    60.00000  119.52600
   84    89    96    63.00000  111.10000
   84    89    38    63.00000  111.10000
   89    73    74    37.50000  110.70000
   89    73    79    63.00000  111.10000
   89    84    85    80.00000  120.40000
   89    96    97    37.50000  110.70000
   89    96    62    58.35000  112.70000
   89    96    69    58.35000  112.70000
   89    38    67    58.35000  112.70000
   89    38    39    37.50000  110.70000
   96    62    63    37.50000  110.70000
   96    62    67    58.35000  112.70000
   96    69    70    37.50000  110.70000
   96    69    77    50.00000  109.50000
   62    53    60    58.35000  112.70000
   62    96    97    37.50000  110.70000
   62    67    68    37.50000  110.70000
   62    67    38    58.35000  112.70000
   62    67    75    50.00000  109.50000
   67    62    63    37.50000  110.70000
   67    38    39    37.50000  110.70000
   67    75    76    55.00000  108.50000
   38    33    37    70.00000  112.02700
   38    89    96    58.35000  112.70000
   38    67    68    37.50000  110.70000
   75    67    68    35.00000  109.50000
   75    67    38    50.00000  109.50000
   69    60    61    37.50000  110.70000
   69    60    65    63.00000  111.10000
   69    96    97    37.50000  110.70000
   69    96    62    58.35000  112.70000
   69    77    78    55.00000  108.50000
   77    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
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   62    96    69    77  -0.17500 -1.0 2.0
   62    96    69    77   0.20800  1.0 3.0
   62    67   -38    33   0.56750  1.0 1.0
   62    67   -38    33  -0.07550 -1.0 2.0
   62    67   -38    33   0.20000  1.0 3.0
   62    67   -38    89   0.56750  1.0 1.0
   62    67   -38    89  -0.07550 -1.0 2.0
   62    67   -38    89   0.20000  1.0 3.0
   62    67    38    39   0.15000  1.0 3.0
   62    67    75    76  -0.11600  1.0 1.0
   62    67    75    76  -0.09450 -1.0 2.0
   62    67    75    76   0.21250  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    38   0.15000  1.0 3.0
   63    62    67    75   0.23400  1.0 3.0
   68    67    38    33   0.15000  1.0 3.0
   68    67    38    89   0.15000  1.0 3.0
   68    67    38    39   0.15000  1.0 3.0
   68    67    75    76   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    89    96    97   0.15000  1.0 3.0
   38    89   -96    62   0.56750  1.0 1.0
   38    89   -96    62  -0.07550 -1.0 2.0
   38    89   -96    62   0.20000  1.0 3.0
   38    89    96    69   0.56750  1.0 1.0
   38    89    96    69  -0.07550 -1.0 2.0
   38    89    96    69   0.20000  1.0 3.0
   38    67    75    76  -0.11600  1.0 1.0
   38    67    75    76  -0.09450 -1.0 2.0
   38    67    75    76   0.21250  1.0 3.0
   75    67    38    33   0.86500  1.0 1.0
   75    67    38    33  -0.17500 -1.0 2.0
   75    67    38    33   0.20800  1.0 3.0
   75    67    38    89   0.86500  1.0 1.0
   75    67    38    89  -0.17500 -1.0 2.0
   75    67    38    89   0.20800  1.0 3.0
   75    67    38    39   0.23400  1.0 3.0
   69    60    65    66   0.30150 -1.0 2.0
   69    60   -65    73   0.60050  1.0 1.0
   69    60   -65    73   0.05600 -1.0 2.0
   69    60   -65    73   0.26150  1.0 3.0
   69    96   -62    53   0.56750  1.0 1.0
   69    96   -62    53  -0.07550 -1.0 2.0
   69    96   -62    53   0.20000  1.0 3.0
   69    96    62    63   0.15000  1.0 3.0
   69    96    62    67   0.56750  1.0 1.0
   69    96    62    67  -0.07550 -1.0 2.0
   69    96    62    67   0.20000  1.0 3.0
   70    69    77    78   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    89   0.86500  1.0 1.0
   40    33    38    89  -0.17500 -1.0 2.0
   40    33    38    89   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
   73    81    79    80  10.50000 -1.0 2.0
   82    98    81    79   4.00000 -1.0 2.0
   83    84    82    81   4.00000 -1.0 2.0
   86    87    83    82   4.00000 -1.0 2.0
   90    92    86    83   4.00000 -1.0 2.0
   98    91    90    86   1.10000 -1.0 2.0
   90    99    98    81   4.00000 -1.0 2.0
   82    89    84    85  10.50000 -1.0 2.0
END
