* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    203    335     618
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02083   106.14499   -24.06054
    3     1 S   H    _H1_     3     1.02122    61.98453    78.88958
    4     1 S   H    _H2_     4     1.02076    50.33872  -125.18744
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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   167.74439
   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    57.98761
   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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59075
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32504
   25    24 S   HC   HB21    33     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08640   109.89279   179.00771
   27    22 S   N    _N3_    24     1.34263   118.97449    10.45205
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06898
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22029
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10345
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31071
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C29    36     1.80732    98.62799  -179.98022
   34    33 S   HC   _H3_    37     1.08634   110.67080   -41.56032
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   38    33 S   C    _C10    38     1.50256   109.59459    79.95773
   39    38 S   O    _O29    39     1.22415   126.11855  -151.84991
   40    33 S   CT   _C20    42     1.55507   108.97912  -158.84924
   41    38 S   OH   _O35    40     1.36002   111.16300    27.82421
   42    41 S   HO   _H69    41     0.98143   114.86249  -179.69674
   43    40 S   CT   _C17    43     1.60225   111.15793  -150.36427
   44    40 S   CT   _C19    60     1.59570   110.19981    83.61992
   45    40 S   OH   _O36   105     1.43798   105.24129   -31.53540
   46    45 S   HO   _H70   106     0.96604   105.80769   -59.77221
   47    43 S   CO4  _C8_    44     1.56421   111.44347    52.11461
   48    47 S   O    _O27    45     1.23511   121.78360    31.53277
   49    44 S   CT   _C23    61     1.55369   111.20206   -44.87745
   50    49 S   HC   _H53    62     1.08014   108.50727   -58.43836
   51    49 S   HC   _H54    63     1.08020   108.46979  -178.39794
   52    49 S   HC   _H55    64     1.07995   108.53479    61.62598
   53    44 S   CT   _C28    65     1.54968   113.47278  -162.32574
   54    53 S   HC   _H66    66     1.08883   107.43888   -63.76034
   55    43 S   CT   _C22   101     1.55430   111.11943   165.31742
   56    55 S   HC   _H50   102     1.08023   108.49787    61.05863
   57    55 S   HC   _H51   103     1.08057   108.47832   -58.87540
   58    55 S   HC   _H52   104     1.08001   108.50234  -178.94334
   59    47 S   CT   _C11    46     1.52505   118.85970  -156.78227
   60    59 S   HC   _H41    47     1.09676   107.94604   162.88968
   61    59 S   HC   _H42    48     1.09270   109.05349   -80.49593
   62    53 S   C5BC _C7_    67     1.49907   111.48908   172.73215
   63    53 S   OH   _O38    75     1.41772   107.69198    52.69450
   64    63 S   HO   _H72    76     0.97224   107.00208  -178.64016
   65    59 S   CT   _C14    49     1.51085   109.40959    43.76113
   66    65 S   HC   _H47    50     1.10402   104.51566    56.38239
   67    62 S   C5BC _C4_    68     1.41547   127.01849   -89.38848
   68    67 S   HA   _H38    69     1.07987   127.80916     0.09065
   69    65 S   CT   _C18    51     1.54359   113.86422   -59.40054
   70    67 S   C5A  _C5_    70     1.37610   106.11397  -180.00000
   71    70 S   HA   _H39    71     1.08006   133.79775  -179.90935
   72    43 S   CT   _C15    52     1.58379   107.50415   -69.41930
   73    72 S   HC   _H48    53     1.09940   105.97906    53.17651
   74    70 S   OA   _O30    72     1.35978   110.56102     0.00000
   75    69 S   CT   _C16    77     1.55065    97.00016  -173.77723
   76    75 S   HC   _H49    78     1.09754   110.34783   -73.18569
   77    69 S   CT   _C27    96     1.54251   115.26312   -58.63240
   78    77 S   HC   _H64    97     1.08415   109.13954    40.00139
   79    77 S   HC   _H65    98     1.08409   109.17156   -80.91945
   80    72 S   CT   _C12    54     1.53420   111.43328   -59.20208
   81    80 S   HC   _H43    55     1.09251   112.01931   -64.95294
   82    80 S   HC   _H44    56     1.09246   109.99979   176.99150
   83    62 S   C5A  _C6_    73     1.37653   126.83487    90.65383
   84    83 S   HA   _H40    74     1.08043   133.92896    -0.02798
   85    75 S   OS   _O33    79     1.45548   104.76819    41.53464
   86    75 S   CT   _C26    89     1.52305   118.81677   160.65802
   87    86 S   HC   _H62    90     1.09384   109.16319   -72.68284
   88    86 S   HC   _H63    91     1.09365   109.16427    46.80487
   89    77 S   OH   _O37    99     1.41093   107.89614   159.50798
   90    89 S   HO   _H71   100     0.97470   107.33956   179.97202
   91    80 S   CT   _C13    57     1.53179   111.53032    59.11031
   92    91 S   HC   _H45    58     1.09763   107.88809    68.66830
   93    91 S   HC   _H46    59     1.09789   108.67218  -177.56426
   94    65 S   CT   _C21    80     1.53019   120.50270   174.09206
   95    86 S   C    _C9_    92     1.50587   111.84545   167.03910
   96    95 S   O    _O28    93     1.22233   126.33360     0.61771
   97    94 S   CT   _C24    81     1.52937   115.53680    34.62247
   98    97 S   HC   _H56    82     1.08802   109.73794  -179.96574
   99    97 S   HC   _H57    83     1.08815   109.73908    60.02021
  100    97 S   HC   _H58    84     1.08825   109.67995   -60.03477
  101    94 S   CT   _C25    85     1.53435   111.33321   -89.73520
  102   101 S   HC   _H59    86     1.08659   109.42830  -179.97202
  103   101 S   HC   _H60    87     1.08616   109.45403    60.02406
  104   101 S   HC   _H61    88     1.08640   109.44297   -60.01519
  105    95 S   OH   _O34    94     1.35790   109.92618  -179.50623
  106   105 S   HO   _H68    95     0.98081   111.89200   179.98022
  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   9   5   4   3
  16   7   2   1   1   7   3  27   1   1  24  22   7   1  15   6
  11   4   3   2  14   6   8   3   2   1  12   5   4  10   4   1
  22   8   6   4  21   4   2  16   6   2  16   7   8   3   2   5
   4   3   1   1  13   7   4   3   1   1   2   1   1   8   3   2
   7   3   2   1   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    44    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    40    43    47    72    91    44    49    53    55    45    46  
   38    39    41    40    43    44    45  
   36    37  
   37  
    0  
   39    41    42    40    43    44    45  
   41    42    40  
   43    47    48    59    69    72    73    80    91    92    93    44    49    50    51    52    53    54    62    63    55    56    57    58    45    46    41  
   42  
    0  
   47    48    59    60    61    65    69    72    73    80    81    82    91    44    49    53    75    77    55    56    57    58    45    46  
   49    50    51    52    53    54    62    67    83    63    64    55    45    46    47    72    80    81    82    91    92    93  
   46    47    49    53    55    72    91  
    0  
   48    59    60    61    65    66    69    72    73    80    94    55    56    57    58  
   59    60    61    65    72    55  
   50    51    52    53    54    62    63    80    91    92    93  
   51    52    53    91  
   52    53    91  
   53    91  
   54    62    67    68    70    74    83    84    63    64    80    91    92    93  
   62    67    83    63    64    91  
   56    57    58    59    69    72    73    80  
   57    58    72  
   58    72  
   72  
   60    61    65    66    69    72    75    85    94    97   101    77  
   61    65    66    69    94  
   65    66    69    94  
   67    68    70    71    74    83    84    63    64    91  
   64    67    83    91  
    0  
   66    69    72    73    80    75    76    85    94    97    98    99   100   101   102   103   104    86    77    78    79    89  
   69    72    75    85    94    97   101    77  
   68    70    71    74    83    84  
   70    71    74    83  
   72    73    80    81    82    91    75    76    85    94    97   101    86    87    88    95    77    78    79    89    90  
   71    74    83    84  
   74    83  
   73    80    81    82    91    92    93    75    76    85    94    86    77    78    79    89  
   80    81    82    91    75    77  
   83    84  
   76    85    94    97   101    86    87    88    95    96   105    77    78    79    89    80  
   85    94    86    87    88    95    77  
   78    79    89    90    80    85    86    94  
   79    89    90  
   89    90  
   81    82    91    92    93  
   82    91    92    93  
   91    92    93  
   84  
    0  
   94    97    98    99   100   101   102   103   104    86    87    88    95  
   87    88    95    96   105   106    94  
   88    95    96   105  
   95    96   105  
   90  
    0  
   92    93  
   93  
    0  
   97    98    99   100   101   102   103   104  
   96   105   106  
  105   106  
   98    99   100   101   102   103   104  
   99   100   101  
  100   101  
  101  
  102   103   104  
  103   104  
  104  
    0  
  106  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   85   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   90   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.450000   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    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   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    41   450.000  1.364
   41    42   553.000  0.945
   40    43   268.000  1.529
   40    44   268.000  1.529
   40    45   320.000  1.410
   43    47   317.000  1.522
   43    72   268.000  1.529
   43    55   268.000  1.529
   47    48   570.000  1.229
   47    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    94   268.000  1.529
   69    72   268.000  1.529
   69    75   268.000  1.529
   69    77   268.000  1.529
   72    73   340.000  1.090
   72    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    44   268.000  1.529
   44    49   268.000  1.529
   44    53   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   53    54   340.000  1.090
   53    62   285.000  1.502
   53    63   320.000  1.410
   62    67   469.000  1.424
   62    83   546.000  1.367
   67    68   367.000  1.080
   67    70   546.000  1.367
   70    71   367.000  1.080
   70    74   340.000  1.360
   74    83   340.000  1.360
   83    84   367.000  1.080
   63    64   553.000  0.945
   75    76   340.000  1.090
   75    85   320.000  1.410
   75    86   268.000  1.529
   85    94   320.000  1.410
   94    97   268.000  1.529
   94   101   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    95   317.000  1.522
   95    96   570.000  1.229
   95   105   450.000  1.364
  105   106   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    89   320.000  1.410
   89    90   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    70.00000  112.33000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    41    70.00000  108.00000
   33    40    43    58.35000  112.70000
   33    40    44    58.35000  112.70000
   33    40    45    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  113.00000
   41    38    39   100.00000  123.32000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    43    47    63.00000  111.10000
   40    43    72    58.35000  112.70000
   40    43    55    58.35000  112.70000
   40    44    91    58.35000  112.70000
   40    44    49    58.35000  112.70000
   40    44    53    58.35000  112.70000
   40    45    46    55.00000  108.50000
   43    47    48    80.00000  120.40000
   43    47    59    70.00000  116.00000
   43    72    69    58.35000  112.70000
   43    72    73    37.50000  110.70000
   43    72    80    58.35000  112.70000
   43    55    56    37.50000  110.70000
   43    55    57    37.50000  110.70000
   43    55    58    37.50000  110.70000
   47    59    60    35.00000  109.50000
   47    59    61    35.00000  109.50000
   47    59    65    63.00000  111.10000
   59    47    48    80.00000  120.40000
   59    65    66    37.50000  110.70000
   59    65    69    58.35000  112.70000
   59    65    94    58.35000  112.70000
   61    59    60    33.00000  107.80000
   65    59    60    37.50000  110.70000
   65    59    61    37.50000  110.70000
   65    69    72    58.35000  112.70000
   65    69    75    58.35000  112.70000
   65    69    77    58.35000  112.70000
   65    94    85    50.00000  109.50000
   65    94    97    58.35000  112.70000
   65    94   101    58.35000  112.70000
   69    65    66    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    80    58.35000  112.70000
   69    75    76    37.50000  110.70000
   69    75    85    50.00000  109.50000
   69    75    86    58.35000  112.70000
   69    77    78    37.50000  110.70000
   69    77    79    37.50000  110.70000
   69    77    89    50.00000  109.50000
   72    43    47    63.00000  111.10000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    91    58.35000  112.70000
   80    72    73    37.50000  110.70000
   80    91    92    37.50000  110.70000
   80    91    93    37.50000  110.70000
   80    91    44    58.35000  112.70000
   82    80    81    33.00000  107.80000
   91    80    81    37.50000  110.70000
   91    80    82    37.50000  110.70000
   91    44    49    58.35000  112.70000
   91    44    53    58.35000  112.70000
   93    91    92    33.00000  107.80000
   44    40    43    58.35000  112.70000
   44    91    92    37.50000  110.70000
   44    91    93    37.50000  110.70000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    62    70.00000  112.17500
   44    53    63    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   53    44    49    58.35000  112.70000
   53    62    67    60.00000  130.00000
   53    62    83    60.00000  130.00000
   53    63    64    55.00000  108.50000
   62    53    54    35.00000  109.50000
   62    67    68    35.00000  127.50000
   62    67    70    70.00000  107.30000
   62    83    74    70.00000  110.60000
   62    83    84    35.00000  132.10000
   67    70    71    35.00000  132.10000
   67    70    74    70.00000  110.60000
   70    67    68    35.00000  125.70000
   70    74    83    70.00000  106.50000
   74    70    71    35.00000  113.40000
   74    83    84    35.00000  113.40000
   83    62    67    70.00000  107.30000
   63    53    54    35.00000  109.50000
   63    53    62    90.00000  112.51600
   75    69    72    58.35000  112.70000
   75    85    94    60.00000  109.50000
   75    86    87    37.50000  110.70000
   75    86    88    37.50000  110.70000
   75    86    95    63.00000  111.10000
   85    75    76    35.00000  109.50000
   85    94    97    50.00000  109.50000
   85    94   101    50.00000  109.50000
   94    65    66    37.50000  110.70000
   94    65    69    58.35000  112.70000
   94    97    98    37.50000  110.70000
   94    97    99    37.50000  110.70000
   94    97   100    37.50000  110.70000
   94   101   102    37.50000  110.70000
   94   101   103    37.50000  110.70000
   94   101   104    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
  101    94    97    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    33.00000  107.80000
  104   101   103    33.00000  107.80000
   86    75    76    37.50000  110.70000
   86    75    85    50.00000  109.50000
   86    95    96    80.00000  120.40000
   86    95   105    70.00000  108.00000
   88    86    87    33.00000  107.80000
   95    86    87    35.00000  109.50000
   95    86    88    35.00000  109.50000
   95   105   106    35.00000  113.00000
  105    95    96   100.00000  123.32000
   77    69    72    58.35000  112.70000
   77    69    75    58.35000  112.70000
   77    89    90    55.00000  108.50000
   79    77    78    33.00000  107.80000
   89    77    78    35.00000  109.50000
   89    77    79    35.00000  109.50000
   55    43    47    63.00000  111.10000
   55    43    72    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   45    40    43    50.00000  109.50000
   45    40    44    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
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   75    85    94    97   0.06250  1.0 1.0
   75    85    94    97  -0.01100 -1.0 2.0
   75    85    94    97   0.28050  1.0 3.0
   75    85    94   101   0.06250  1.0 1.0
   75    85    94   101  -0.01100 -1.0 2.0
   75    85    94   101   0.28050  1.0 3.0
   75    86    95    96   0.30150 -1.0 2.0
   75    86    95   105   0.50000  1.0 1.0
   75    86    95   105   0.27300 -1.0 2.0
   75    86    95   105   0.22500  1.0 3.0
   76    75    85    94   0.37050  1.0 3.0
   76    75    86    87   0.15000  1.0 3.0
   76    75    86    88   0.15000  1.0 3.0
   76    75    86    95  -0.11250  1.0 3.0
   85    75    86    87   0.23400  1.0 3.0
   85    75    86    88   0.23400  1.0 3.0
   85    75    86    95  -0.09450  1.0 1.0
   85    75    86    95  -1.12950 -1.0 2.0
   85    75    86    95   0.54000  1.0 3.0
   85    94    97    98   0.23400  1.0 3.0
   85    94    97    99   0.23400  1.0 3.0
   85    94    97   100   0.23400  1.0 3.0
   85    94   101   102   0.23400  1.0 3.0
   85    94   101   103   0.23400  1.0 3.0
   85    94   101   104   0.23400  1.0 3.0
   94    65    69    72   0.56750  1.0 1.0
   94    65    69    72  -0.07550 -1.0 2.0
   94    65    69    72   0.20000  1.0 3.0
   94    65   -69    75   0.56750  1.0 1.0
   94    65   -69    75  -0.07550 -1.0 2.0
   94    65   -69    75   0.20000  1.0 3.0
   94    65    69    77   0.56750  1.0 1.0
   94    65    69    77  -0.07550 -1.0 2.0
   94    65    69    77   0.20000  1.0 3.0
   97    94   101   102   0.15000  1.0 3.0
   97    94   101   103   0.15000  1.0 3.0
   97    94   101   104   0.15000  1.0 3.0
  101    94    97    98   0.15000  1.0 3.0
  101    94    97    99   0.15000  1.0 3.0
  101    94    97   100   0.15000  1.0 3.0
   86    75    85    94   0.06250  1.0 1.0
   86    75    85    94  -0.01100 -1.0 2.0
   86    75    85    94   0.28050  1.0 3.0
   86    95   105   106   1.50000  1.0 1.0
   86    95   105   106   2.45000 -1.0 2.0
   87    86    95    96   0.00000  1.0 1.0
   87    86    95   105   0.00000  1.0 1.0
   88    86    95    96   0.00000  1.0 1.0
   88    86    95   105   0.00000  1.0 1.0
   96    95   105   106   0.92200  1.0 1.0
   96    95   105   106   3.74100 -1.0 2.0
   77    69    72    43   0.56750  1.0 1.0
   77    69    72    43  -0.07550 -1.0 2.0
   77    69    72    43   0.20000  1.0 3.0
   77    69    72    73   0.15000  1.0 3.0
   77    69    72    80   0.56750  1.0 1.0
   77    69    72    80  -0.07550 -1.0 2.0
   77    69    72    80   0.20000  1.0 3.0
   77    69    75    76   0.15000  1.0 3.0
   77    69    75    85   0.62750  1.0 1.0
   77    69    75    85  -0.30950 -1.0 2.0
   77    69    75    85   0.27300  1.0 3.0
   77    69    75    86   0.56750  1.0 1.0
   77    69    75    86  -0.07550 -1.0 2.0
   77    69    75    86   0.20000  1.0 3.0
   78    77    89    90   0.19450  1.0 3.0
   79    77    89    90   0.19450  1.0 3.0
   55    43    47    48   0.30150 -1.0 2.0
   55    43    47    59   0.60050  1.0 1.0
   55    43    47    59   0.05600 -1.0 2.0
   55    43    47    59   0.26150  1.0 3.0
   55    43    72    69   0.56750  1.0 1.0
   55    43    72    69  -0.07550 -1.0 2.0
   55    43    72    69   0.20000  1.0 3.0
   55    43    72    73   0.15000  1.0 3.0
   55    43    72    80   0.56750  1.0 1.0
   55    43    72    80  -0.07550 -1.0 2.0
   55    43    72    80   0.20000  1.0 3.0
   45    40    43    47  -0.09450  1.0 1.0
   45    40    43    47  -1.12950 -1.0 2.0
   45    40    43    47   0.54000  1.0 3.0
   45    40    43    72   0.86500  1.0 1.0
   45    40    43    72  -0.17500 -1.0 2.0
   45    40    43    72   0.20800  1.0 3.0
   45    40    43    55   0.86500  1.0 1.0
   45    40    43    55  -0.17500 -1.0 2.0
   45    40    43    55   0.20800  1.0 3.0
   45    40    44    91   0.86500  1.0 1.0
   45    40    44    91  -0.17500 -1.0 2.0
   45    40    44    91   0.20800  1.0 3.0
   45    40    44    49   0.86500  1.0 1.0
   45    40    44    49  -0.17500 -1.0 2.0
   45    40    44    49   0.20800  1.0 3.0
   45    40    44    53   0.86500  1.0 1.0
   45    40    44    53  -0.17500 -1.0 2.0
   45    40    44    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39  10.50000 -1.0 2.0
   43    59    47    48  10.50000 -1.0 2.0
   67    83    62    53   4.00000 -1.0 2.0
   70    68    67    62   1.10000 -1.0 2.0
   74    71    70    67   1.10000 -1.0 2.0
   74    84    83    62   1.10000 -1.0 2.0
   86   105    95    96  10.50000 -1.0 2.0
END
