* LIGAND DATABASE FILE (OPLS2005)
*
001     106   113    212    361     633
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02062    87.07545    44.97854
    3     1 S   H    _H1_     3     1.02156    33.25174   176.53479
    4     1 S   H    _H2_     4     1.02082    93.24635   -63.60856
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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     1.81989    98.22223  -178.17791
   34    33 S   HC   _H7_    37     1.09153   102.84224    37.65346
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.52870   115.13288   -80.00719
   39    38 S   HC   _H6_    39     1.10031   107.43890    58.56007
   40    38 S   CT   _C20    40     1.54185   112.47818   177.54019
   41    40 S   HC   _H5_    41     1.10144   107.27079   162.30334
   42    38 S   CO4  _C33   100     1.50595   114.38180   -55.65179
   43    42 S   O    _O33   101     1.22388   124.03967  -123.39590
   44    40 S   CT   _C19    42     1.54048   110.76308   -83.35589
   45    44 S   HC   _H23    43     1.09318   110.24091    55.10764
   46    44 S   HC   _H24    44     1.09670   108.91440   -59.01501
   47    40 S   CT   _C6_    71     1.55484   114.03334    45.03178
   48    47 S   HC   _H3_    72     1.10020   105.24454    71.65671
   49    42 S   OS   _O34   102     1.36366   109.53664    56.59827
   50    44 S   CT   _C18    45     1.53534   114.05039   177.24821
   51    50 S   HC   _H4_    46     1.09966   106.20206  -165.03053
   52    47 S   CT   _C5_    73     1.57822   116.87345   -44.79626
   53    49 S   CT   _C34   103     1.43157   115.42792   179.95577
   54    53 S   HC   _H34   104     1.09271   109.49930  -179.94405
   55    53 S   HC   _H35   105     1.09286   109.49302    59.23452
   56    53 S   HC   _H36   106     1.09230   108.96837   -60.38686
   57    50 S   C5A  _C17    47     1.50704   116.05235    78.45702
   58    52 S   C5A  _C26    74     1.52244   112.00659   165.77329
   59    52 S   CT   _C4_    96     1.54427   116.29843   -71.28352
   60    59 S   HC   _H9_    97     1.08326   109.00404    54.31769
   61    59 S   HC   _H10    98     1.08301   108.99974   -65.68132
   62    59 S   HC   _H11    99     1.08330   108.97105   174.31404
   63    57 S   C5B  _C10    48     1.47595   122.65262  -150.97315
   64    57 S   NA   _N5_    59     1.28671   123.67822    35.49456
   65    64 S   H    _H22    60     1.01676   128.72422    -3.49514
   66    58 S   C5B  _C25    75     1.34092   124.34790  -107.46262
   67    58 S   NA   _N7_    86     1.40980   126.67125    77.32421
   68    67 S   H    _H29    87     1.01765   124.09328    -2.63426
   69    63 S   C56B _C11    49     1.33930   103.16296  -174.19802
   70    63 S   CT   _C9_    61     1.47775   120.98154     5.56613
   71    70 S   HC   _H16    62     1.09647   109.17106   106.88983
   72    70 S   HC   _H17    63     1.09504   110.73509  -135.05738
   73    66 S   C56B _C28    76     1.43959   104.79118  -176.98091
   74    66 S   CT   _C24    88     1.47499   125.90434     2.10682
   75    74 S   HC   _H27    89     1.09609   110.69792   137.69066
   76    74 S   HC   _H28    90     1.09669   109.50446  -104.20003
   77    69 S   CA   _C12    50     1.45010   129.29197  -179.96574
   78    77 S   HA   _H18    51     1.08340   120.18893    -0.19782
   79    70 S   CT   _C8_    64     1.53947   110.60953   -13.63053
   80    79 S   HC   _H14    65     1.09705   109.24047   165.93856
   81    79 S   HC   _H15    66     1.09761   109.21283   -79.49939
   82    73 S   CA   _C29    77     1.44749   132.76446  -179.84805
   83    82 S   HA   _H30    78     1.08354   119.48406     0.52039
   84    74 S   CT   _C23    91     1.52793   110.44053    17.15659
   85    84 S   HC   _H25    92     1.09139   110.67059    71.62906
   86    84 S   HC   _H26    93     1.09219   109.44962  -167.88008
   87    77 S   CA   _C13    52     1.34707   118.13302   179.76930
   88    87 S   HA   _H19    53     1.08369   121.69345   179.98022
   89    50 S   NT   _N4_    67     1.47886   111.59050   -48.01925
   90    82 S   CA   _C30    79     1.34619   118.99532  -179.38962
   91    90 S   HA   _H31    80     1.08399   121.30448   180.00000
   92    33 S   NP   _N6_    94     1.52102   111.54085   150.15384
   93    92 S   H    _H8_    95     1.02920   104.12343   -54.78289
   94    87 S   CA   _C14    54     1.46086   119.82544    -0.04846
   95    94 S   HA   _H20    55     1.08308   118.80195   179.98022
   96    89 S   CT   _C7_    68     1.46686   112.85068    53.33806
   97    96 S   HC   _H12    69     1.09097   109.88143   176.23620
   98    96 S   HC   _H13    70     1.09789   110.67481    60.95271
   99    90 S   CA   _C31    81     1.45841   120.49497     0.08393
  100    99 S   HA   _H32    82     1.08423   118.14462   179.97202
  101    94 S   CA   _C15    56     1.45790   122.37800     0.06561
  102   101 S   HA   _H21    57     1.08297   119.50416   179.75371
  103    99 S   CA   _C32    83     1.34669   120.55748     0.01978
  104   103 S   HA   _H33    84     1.08452   121.21336   179.94405
  105    69 S   C56A _C16    58     1.46281   109.18160    -0.33688
  106    73 S   C56A _C27    85     1.35714   106.62174     0.77833
  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   8   2   1   1  18   8  20   9   9   2  13   6   5  18   8
   4  15   6  20   3   2   1   1  13  18   9   3   2   1  15   9
   3  15   9   3  12   9   5   4  12   9   5   4   7   4   6   3
   2   7   4   4   3   2   6   3   3   6   3   2   1   4   3   2
   1   1   4   3   2   1   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    92    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    52    84    92    93    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    52    58    74    84    85    86    92    93    59    42    43    49  
   38    39    40    52    84    92    93    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    96    47    48    52    84    92    93    42    43    49    53  
   40    41    44    47    92    42    43    49  
   41    44    45    46    50    51    57    89    96    97    98    47    48    52    58    92    59    42    43    49  
   44    45    46    50    96    47    48    52    42  
   43    49    53    54    55    56    44    47    92  
   49    53  
   45    46    50    51    57    63    64    79    89    96    47    48    52  
   46    50    51    57    89    47  
   50    51    57    89    47  
   48    52    58    66    67    84    92    93    59    60    61    62    50    79    89    96    97    98  
   52    58    92    59    89    96    97    98  
   53    54    55    56  
   51    57    63    69   105    64    65    70    79    80    81    89    96    97    98  
   57    63    64    79    89    96  
   58    66    73   106    67    68    74    84    85    86    92    93    59    60    61    62    89    96    97    98  
   54    55    56  
   55    56  
   56  
    0  
   63    69    77   101   105    64    65    70    71    72    79    89    96  
   66    73    82   103   106    67    68    74    75    76    84    92    93    59    60    61    62    96  
   60    61    62    66    67    84    92    93    96  
   61    62    92  
   62    92  
   92  
   69    77    78    87   101   105    64    65    70    71    72    79    80    81    89  
   65    70    89    69    77    94   101   102   105  
   69   101   105  
   73    82    83    90   103   106    67    68    74    75    76    84    85    86    92  
   68    74    92    73    82    99   103   104   106  
   73   103   106  
   77    78    87    88    94   101   102   105    70    71    72    79  
   71    72    79    80    81    89    96    77   105  
   72    79    80    81    89  
   79    80    81    89  
   82    83    90    91    99   103   104   106    74    75    76    84  
   75    76    84    85    86    92    93    82   106  
   76    84    85    86    92  
   84    85    86    92  
   78    87    88    94    95   101   105  
   87    88    94   105  
   80    81    89    96    97    98  
   81    89    96  
   89    96  
   83    90    91    99   100   103   106  
   90    91    99   106  
   85    86    92    93  
   86    92    93  
   92    93  
   88    94    95   101   102   105  
   94    95   101  
   96    97    98  
   91    99   100   103   104   106  
   99   100   103  
   93    96  
    0  
   95   101   102   105  
  101   102   105  
   97    98  
   98  
    0  
  100   103   104   106  
  103   104   106  
  102   105  
  105  
  104   106  
  106  
    0  
    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  -0.175000   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   0.217500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.385000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   74   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   84   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   88   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   89   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   90   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   91   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   92   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   93   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   95   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   96   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   99   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
  100   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
  101   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  102   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  103   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
  104   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
  105   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
  106   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    92   367.000  1.471
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   268.000  1.529
   50    51   340.000  1.090
   50    57   295.000  1.489
   50    89   382.000  1.448
   57    63   520.000  1.370
   57    64   427.000  1.381
   63    69   380.000  1.440
   63    70   295.000  1.494
   69    77   469.000  1.404
   69   105   447.000  1.419
   77    78   367.000  1.080
   77    87   469.000  1.400
   87    88   367.000  1.080
   87    94   469.000  1.400
   94    95   367.000  1.080
   94   101   469.000  1.400
  101   102   367.000  1.080
  101   105   469.000  1.400
  105    64   428.000  1.380
   64    65   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    89   382.000  1.448
   89    96   382.000  1.448
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    47   268.000  1.529
   47    48   340.000  1.090
   47    52   268.000  1.529
   52    58   295.000  1.489
   52    92   367.000  1.471
   52    59   268.000  1.529
   58    66   520.000  1.370
   58    67   427.000  1.381
   66    73   380.000  1.440
   66    74   295.000  1.494
   73    82   469.000  1.404
   73   106   447.000  1.419
   82    83   367.000  1.080
   82    90   469.000  1.400
   90    91   367.000  1.080
   90    99   469.000  1.400
   99   100   367.000  1.080
   99   103   469.000  1.400
  103   104   367.000  1.080
  103   106   469.000  1.400
  106    67   428.000  1.380
   67    68   434.000  1.010
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   367.000  1.471
   92    93   434.000  1.010
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    92    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    92    52    75.00000  113.01200
   33    92    84    75.00000  113.01200
   33    92    93    35.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    58.35000  112.70000
   40    47    96    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    52    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    51    37.50000  110.70000
   44    50    57    70.00000  113.44400
   44    50    89    56.20000  109.47000
   46    44    45    33.00000  107.80000
   50    44    45    37.50000  110.70000
   50    44    46    37.50000  110.70000
   50    57    63    55.00000  130.44200
   50    57    64    65.00000  122.56900
   50    89    79    51.80000  107.20000
   50    89    96    51.80000  107.20000
   57    50    51    45.00000  110.47400
   57    63    69    80.00000  105.82900
   57    63    70    55.00000  127.77900
   57    64   105    90.00000  107.14200
   57    64    65    35.00000  120.00000
   63    69    77    50.00000  134.85500
   63    69   105    80.00000  107.43600
   63    70    71    45.00000  111.11700
   63    70    72    45.00000  111.11700
   63    70    79    70.00000  112.62400
   69    77    78    35.00000  120.00000
   69    77    87    63.00000  120.00000
   69   105   101    85.00000  122.70000
   69   105    64    70.00000  104.40000
   77    87    88    35.00000  120.00000
   77    87    94    63.00000  120.00000
   87    77    78    35.00000  120.00000
   87    94    95    35.00000  120.00000
   87    94   101    63.00000  120.00000
   94    87    88    35.00000  120.00000
   94   101   102    35.00000  120.00000
   94   101   105    85.00000  120.00000
  101    94    95    35.00000  120.00000
  101   105    64    70.00000  132.80000
  105    69    77    85.00000  116.20000
  105   101   102    35.00000  120.00000
  105    64    65    35.00000  123.10000
   64    57    63    70.00000  106.30000
   70    63    69    55.00000  128.73000
   70    79    80    37.50000  110.70000
   70    79    81    37.50000  110.70000
   70    79    89    56.20000  109.47000
   72    70    71    33.00000  107.80000
   79    70    71    37.50000  110.70000
   79    70    72    37.50000  110.70000
   79    89    96    51.80000  107.20000
   81    79    80    33.00000  107.80000
   89    50    51    35.00000  109.50000
   89    50    57    75.00000  112.58000
   89    79    80    35.00000  109.50000
   89    79    81    35.00000  109.50000
   89    96    97    35.00000  109.50000
   89    96    98    35.00000  109.50000
   89    96    47    56.20000  109.47000
   96    47    48    37.50000  110.70000
   96    47    52    58.35000  112.70000
   98    96    97    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    96    97    37.50000  110.70000
   47    96    98    37.50000  110.70000
   47    52    58    70.00000  113.44400
   47    52    92    80.00000  111.20000
   47    52    59    58.35000  112.70000
   52    47    48    37.50000  110.70000
   52    58    66    55.00000  130.44200
   52    58    67    65.00000  122.56900
   52    92    84    75.00000  113.01200
   52    92    93    35.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   58    66    73    80.00000  105.82900
   58    66    74    55.00000  127.77900
   58    67   106    90.00000  107.14200
   58    67    68    35.00000  120.00000
   66    73    82    50.00000  134.85500
   66    73   106    80.00000  107.43600
   66    74    75    45.00000  111.11700
   66    74    76    45.00000  111.11700
   66    74    84    70.00000  112.62400
   73    82    83    35.00000  120.00000
   73    82    90    63.00000  120.00000
   73   106   103    85.00000  122.70000
   73   106    67    70.00000  104.40000
   82    90    91    35.00000  120.00000
   82    90    99    63.00000  120.00000
   90    82    83    35.00000  120.00000
   90    99   100    35.00000  120.00000
   90    99   103    63.00000  120.00000
   99    90    91    35.00000  120.00000
   99   103   104    35.00000  120.00000
   99   103   106    85.00000  120.00000
  103    99   100    35.00000  120.00000
  103   106    67    70.00000  132.80000
  106    73    82    85.00000  116.20000
  106   103   104    35.00000  120.00000
  106    67    68    35.00000  123.10000
   67    58    66    70.00000  106.30000
   74    66    73    55.00000  128.73000
   74    84    85    37.50000  110.70000
   74    84    86    37.50000  110.70000
   74    84    92    80.00000  111.20000
   76    74    75    33.00000  107.80000
   84    74    75    37.50000  110.70000
   84    74    76    37.50000  110.70000
   84    92    93    35.00000  109.50000
   86    84    85    33.00000  107.80000
   92    33    34    35.00000  109.50000
   92    33    38    80.00000  111.20000
   92    52    58    75.00000  111.64000
   92    84    85    35.00000  109.50000
   92    84    86    35.00000  109.50000
   59    52    58    70.00000  113.44400
   59    52    92    80.00000  111.20000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
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   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   63    64    57    50   4.00000 -1.0 2.0
   69    70    63    57   4.00000 -1.0 2.0
   77   105    69    63   4.00000 -1.0 2.0
   87    78    77    69   1.10000 -1.0 2.0
   94    88    87    77   1.10000 -1.0 2.0
  101    95    94    87   1.10000 -1.0 2.0
  105   102   101    94   1.10000 -1.0 2.0
  101    64   105    69   4.00000 -1.0 2.0
   65    57    64   105   1.00000 -1.0 2.0
   66    67    58    52   4.00000 -1.0 2.0
   73    74    66    58   4.00000 -1.0 2.0
   82   106    73    66   4.00000 -1.0 2.0
   90    83    82    73   1.10000 -1.0 2.0
   99    91    90    82   1.10000 -1.0 2.0
  103   100    99    90   1.10000 -1.0 2.0
  106   104   103    99   1.10000 -1.0 2.0
  103    67   106    73   4.00000 -1.0 2.0
   68    58    67   106   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
