* LIGAND DATABASE FILE (OPLS2005)
*
001     106   108    208    331     630
    1     0 S   NP   _N1_     1    28.97764    96.10147   -17.70907
    2     1 S   H    _HN1     2     1.02837    50.00048   133.14959
    3     1 S   H    _H1_     3     1.02774    71.75162   -92.48072
    4     1 S   H    _H2_     4     1.02960    87.02506    17.96713
    5     1 S   CT   _CA1     5     1.50139   158.46449   162.89016
    6     5 S   HC   _HA1     6     1.09563   105.24193    35.20397
    7     5 S   CO3  _C1_     7     1.53829   112.36612   -85.10941
    8     7 S   O2Z  _O11     8     1.26381   114.95929   -41.24365
    9     7 S   O2Z  _O12     9     1.26235   114.97455   137.94524
   10     5 S   CT   _CB1    10     1.53106   107.44534   153.32312
   11    10 S   HC   HB11    11     1.09823   109.54154   -48.41017
   12    10 S   HC   HB12    12     1.09826   110.30786    68.21659
   13    10 S   CT   _CG1    13     1.53016   112.67112  -169.42772
   14    13 S   HC   HG11    14     1.09574   110.44362   -61.40854
   15    13 S   HC   HG12    15     1.09637   110.03350    57.83330
   16    13 S   C    _CD1    16     1.51823   112.27406   178.31984
   17    16 S   O    _OE1    17     1.22730   123.24739    -3.05448
   18    16 S   N    _N2_    18     1.38629   111.62380   176.71092
   19    18 S   H    _HN2    19     1.01578   119.04450     2.20158
   20    18 S   CT1  _CA2    20     1.46365   123.41995  -176.57440
   21    20 S   HC   _HA2    21     1.09737   109.39890   -11.29998
   22    20 S   C    _C2_    22     1.53366   108.33450  -127.10304
   23    22 S   O    _O2_    23     1.23000   122.31226  -145.10057
   24    20 S   CT   _CB2    32     1.53674   111.19012   110.61374
   25    24 S   HC   HB21    33     1.09301   108.77490    56.86178
   26    24 S   HC   HB22    34     1.09435   110.23263   175.69698
   27    22 S   N    _N3_    24     1.38536   113.31357    42.22077
   28    27 S   H    _HN3    25     1.01520   118.89348    -0.54429
   29    24 S   S    _SG2    35     1.82899   110.70901   -64.12866
   30    27 S   CT   _CA3    26     1.45445   123.42947   175.08494
   31    30 S   HC   HA31    27     1.09525   109.19490    24.91517
   32    30 S   HC   HA32    28     1.09494   107.11829   141.92258
   33    29 S   CT   _C10    36     1.88619   102.74112   172.58344
   34    30 S   CO3  _C3_    29     1.52939   113.20921   -98.53060
   35    34 S   O2Z  _O31    30     1.26399   115.46353   -42.72940
   36    34 S   O2Z  _O32    31     1.26366   114.94364   138.24853
   37    33 S   CT   _C9_    37     1.54981   111.19161   -57.33117
   38    37 S   HC   _H14    38     1.09871   109.50161   177.64956
   39    37 S   HC   _H15    39     1.09607   111.53209    62.85256
   40    33 S   CM   _C11    86     1.53504   106.79333    61.47508
   41    40 S   HC   _H16    87     1.09285   113.93684  -112.03388
   42    37 S   CT   _C8_    40     1.52857   114.25192   -61.00033
   43    42 S   HC   _H12    41     1.09302   108.80171    68.32311
   44    42 S   HC   _H13    42     1.09583   107.48681  -177.09566
   45    40 S   CMA  _C12    88     1.35832   129.91898    67.81462
   46    45 S   OM   _O33    89     1.26771   123.84674   179.04961
   47    42 S   CT   _C7_    43     1.54257   113.11437   -55.81071
   48    47 S   HC   _H5_    44     1.09994   105.87508   -65.79908
   49    45 S   OS   _O34    90     1.40750   111.89217    -0.15826
   50    47 S   CT   _C6_    45     1.55370   111.24489    49.97386
   51    50 S   HC   _H4_    46     1.09635   108.10375    66.96159
   52    49 S   CT   _C13    91     1.43041   115.78510  -147.51234
   53    52 S   HC   _H17    92     1.09708   110.42554    47.36374
   54    52 S   HC   _H18    93     1.09498   110.13277   -73.17831
   55    33 S   CT   _C5_    47     1.57786   107.73101  -174.72734
   56    55 S   HC   _H3_    48     1.09652   108.49953   -52.03604
   57    50 S   CT   _C24    53     1.54277   111.21806  -177.53836
   58    57 S   HC   _H8_    54     1.09530   110.32752    68.38633
   59    52 S   CT   _C14    94     1.52448   107.38776   165.48380
   60    59 S   HC   _H19    95     1.09563   109.30657   -60.80361
   61    59 S   HC   _H20    96     1.09453   112.59325   177.24331
   62    55 S   CT   _C4_    49     1.54459   112.23077  -168.27442
   63    62 S   HC   _H9_    50     1.09317   112.36273   -71.25471
   64    62 S   HC   _H10    51     1.09434   110.96478   167.95744
   65    62 S   HC   _H11    52     1.09325   112.08969    50.20586
   66    57 S   CT   _C23    55     1.53044   112.74781   -52.28656
   67    66 S   HC   _H32    56     1.09545   109.94958   -68.72202
   68    66 S   HC   _H33    57     1.09495   107.55209   177.48083
   69    57 S   OH   _O35    84     1.42719   109.33224  -173.55649
   70    69 S   HO   _H34    85     0.97250   107.41752  -179.32160
   71    59 S   NP   _N4_    97     1.51843   110.48963    56.06457
   72    71 S   H    _H21    98     1.03044   106.35471   -41.58164
   73    66 S   CT   _C22    58     1.53991   111.05694    55.62183
   74    73 S   HC   _H7_    59     1.10323   105.12515    52.44714
   75    71 S   CT   _C15    99     1.50255   113.39860    75.82541
   76    75 S   HC   _H22   100     1.09315   108.61392    61.24547
   77    75 S   HC   _H23   101     1.09338   108.06300  -178.41415
   78    75 S   HC   _H24   102     1.09174   108.66931   -59.78228
   79    71 S   CT   _C16   103     1.50368   111.75252  -157.13096
   80    79 S   HC   _H25   104     1.09316   108.53042   -62.58469
   81    79 S   HC   _H26   105     1.09332   108.14739    58.08858
   82    79 S   HC   _H27   106     1.09322   108.15696   176.77681
   83    47 S   CT   _C17    60     1.59025   113.74015   177.85552
   84    83 S   CT   _C18    61     1.55166   109.53509    57.96191
   85    84 S   HC   _H28    62     1.09811   109.45735    47.11391
   86    84 S   HC   _H29    63     1.09653   110.57815   -69.75541
   87    83 S   CT   _C27    80     1.54929   109.91995   -60.72669
   88    87 S   HC   _H42    81     1.09216   113.15114   -60.92865
   89    87 S   HC   _H43    82     1.08752   112.69306   177.48114
   90    87 S   HC   _H44    83     1.09424   111.54842    59.94802
   91    84 S   CT   _C19    64     1.52447   113.80431   168.47660
   92    91 S   HC   _H30    65     1.09556   111.26063    67.17533
   93    91 S   HC   _H31    66     1.09775   109.00776  -177.84550
   94    91 S   CT   _C20    67     1.52506   111.75889   -57.11376
   95    94 S   HC   _H6_    68     1.09825   108.10697   -64.32203
   96    73 S   CT   _C21    69     1.57581   114.49610   165.43773
   97    94 S   OH   _O36    78     1.42731   108.87529  -179.78239
   98    97 S   HO   _H41    79     0.97227   107.67658    56.03618
   99    96 S   CT   _C25    70     1.55632   109.21431   -63.25154
  100    99 S   HC   _H35    71     1.09626   111.43700  -171.55917
  101    99 S   HC   _H36    72     1.09446   111.99810    69.08064
  102    99 S   HC   _H37    73     1.09575   111.28479   -51.85392
  103    96 S   CT   _C26    74     1.54378   114.43205    54.90396
  104   103 S   HC   _H38    75     1.09719   110.95109  -165.75494
  105   103 S   HC   _H39    76     1.08966   113.10757    75.71168
  106   103 S   HC   _H40    77     1.09391   111.94672   -46.96980
  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  12   5   4   3
  21   2   1   1  15   7   6  10   4  12   5   4   7   2  22   8
   7  18   8   9   5   4  10   5  11   6  12   5   4   3   2   1
   1  13   6   5   2   1   9   8  22   7   7   3   2   1   3   2
   1   1  14  13   6   5   5   2   1   1   9   5   4  12   5  10
   3   1   7   3   2   1   3   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    55    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    50    55    56    62    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    44    47    50    51    55    56    62    63    64    65    57    40    41    45    46    49  
   35    36  
   36  
    0  
   38    39    42    43    44    47    48    50    55    56    62    83    40    41    45  
   39    42    43    44    47    55    40  
   42    43    44    47    55    40  
   41    45    46    49    52    42    50    55    56    62  
   45    46    49    55  
   43    44    47    48    50    51    55    57    73    83    84    87  
   44    47    48    50    83  
   47    48    50    83  
   46    49    52    53    54    59    55  
   49    52  
   48    50    51    55    56    62    57    58    66    73    74    83    84    85    86    91    96    87    88    89    90    69  
   50    51    55    57    73    83    84    87  
   52    53    54    59    60    61    71  
   51    55    56    62    63    64    65    57    58    66    67    68    73    83    84    87    69    70  
   55    56    62    57    58    66    83    69  
   53    54    59    60    61    71    72    75    79  
   54    59    60    61    71  
   59    60    61    71  
   56    62    63    64    65    57    58    66    83    69  
   62    63    64    65    57  
   58    66    67    68    73    74    83    96    69    70    62  
   66    67    68    73    69    70  
   60    61    71    72    75    76    77    78    79    80    81    82  
   61    71    72    75    79  
   71    72    75    79  
   63    64    65  
   64    65  
   65  
    0  
   67    68    73    74    83    84    94    96    99   103    87    69    70  
   68    73    74    83    96    69  
   73    74    83    96    69  
   70    73  
    0  
   72    75    76    77    78    79    80    81    82  
   75    76    77    78    79    80    81    82  
   74    83    84    85    86    91    94    95    96    99   100   101   102   103   104   105   106    97    87    88    89    90  
   83    84    94    96    99   103    87  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86    91    92    93    94    96    99   103    87    88    89    90  
   85    86    91    92    93    94    95    96    97    87    88    89    90  
   86    91    92    93    94    87  
   91    92    93    94    87  
   88    89    90    91    96  
   89    90  
   90  
    0  
   92    93    94    95    96    99   103    97    98  
   93    94    95    96    97  
   94    95    96    97  
   95    96    99   100   101   102   103   104   105   106    97    98  
   96    99   103    97    98  
   99   100   101   102   103   104   105   106    97    98  
   98    99   103  
    0  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103  
  104   105   106  
  105   106  
  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   0.167500   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.364400   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.074400   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   72   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    55   268.000  1.529
   33    40   317.000  1.510
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   268.000  1.529
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    83   268.000  1.529
   50    51   340.000  1.090
   50    55   268.000  1.529
   50    57   268.000  1.529
   55    56   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   57    58   340.000  1.090
   57    66   268.000  1.529
   57    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    73   268.000  1.529
   73    74   340.000  1.090
   73    83   268.000  1.529
   73    96   268.000  1.529
   83    84   268.000  1.529
   83    87   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   268.000  1.529
   94    97   320.000  1.410
   96    99   268.000  1.529
   96   103   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   553.000  0.945
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   69    70   553.000  0.945
   40    41   340.000  1.080
   40    45   465.000  1.376
   45    46   745.000  1.250
   45    49   440.000  1.360
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    71   367.000  1.471
   71    72   434.000  1.010
   71    75   367.000  1.471
   71    79   367.000  1.471
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   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    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  111.63000
   29    33    55    75.00000  111.63000
   29    33    40    75.00000  112.20000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    55    50    58.35000  112.70000
   33    55    56    37.50000  110.70000
   33    55    62    58.35000  112.70000
   33    40    41    35.00000  117.00000
   33    40    45    70.00000  124.00000
   37    42    43    37.50000  110.70000
   37    42    44    37.50000  110.70000
   37    42    47    58.35000  112.70000
   39    37    38    33.00000  107.80000
   42    37    38    37.50000  110.70000
   42    37    39    37.50000  110.70000
   42    47    48    37.50000  110.70000
   42    47    50    58.35000  112.70000
   42    47    83    58.35000  112.70000
   44    42    43    33.00000  107.80000
   47    42    43    37.50000  110.70000
   47    42    44    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    55    58.35000  112.70000
   47    50    57    58.35000  112.70000
   47    83    73    58.35000  112.70000
   47    83    84    58.35000  112.70000
   47    83    87    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    62    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    66    58.35000  112.70000
   50    57    69    50.00000  109.50000
   55    33    37    58.35000  112.70000
   55    50    51    37.50000  110.70000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   62    55    56    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    55    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    68    37.50000  110.70000
   57    66    73    58.35000  112.70000
   57    69    70    55.00000  108.50000
   66    57    58    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    83    58.35000  112.70000
   66    73    96    58.35000  112.70000
   68    66    67    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    68    37.50000  110.70000
   73    83    84    58.35000  112.70000
   73    83    87    58.35000  112.70000
   73    96    94    58.35000  112.70000
   73    96    99    58.35000  112.70000
   73    96   103    58.35000  112.70000
   83    47    48    37.50000  110.70000
   83    47    50    58.35000  112.70000
   83    73    74    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    86    37.50000  110.70000
   83    84    91    58.35000  112.70000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   84    91    92    37.50000  110.70000
   84    91    93    37.50000  110.70000
   84    91    94    58.35000  112.70000
   86    84    85    33.00000  107.80000
   91    84    85    37.50000  110.70000
   91    84    86    37.50000  110.70000
   91    94    95    37.50000  110.70000
   91    94    96    58.35000  112.70000
   91    94    97    50.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    96    99    58.35000  112.70000
   94    96   103    58.35000  112.70000
   94    97    98    55.00000  108.50000
   96    73    74    37.50000  110.70000
   96    73    83    58.35000  112.70000
   96    94    95    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    37.50000  110.70000
   96   103   104    37.50000  110.70000
   96   103   105    37.50000  110.70000
   96   103   106    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    96    99    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    94    95    35.00000  109.50000
   97    94    96    50.00000  109.50000
   87    83    84    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   69    57    58    35.00000  109.50000
   69    57    66    50.00000  109.50000
   40    33    37    70.00000  112.02700
   40    33    55    70.00000  112.02700
   40    45    46    65.00000  137.10300
   40    45    49    80.00000  120.01400
   45    40    41    40.00000  120.50800
   45    49    52    90.00000  111.18400
   49    45    46    65.00000  121.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    59    50.00000  109.50000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    71    80.00000  111.20000
   54    52    53    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    54    37.50000  110.70000
   59    71    72    35.00000  109.50000
   59    71    75    75.00000  113.01200
   59    71    79    75.00000  113.01200
   61    59    60    33.00000  107.80000
   71    59    60    35.00000  109.50000
   71    59    61    35.00000  109.50000
   71    75    76    35.00000  109.50000
   71    75    77    35.00000  109.50000
   71    75    78    35.00000  109.50000
   71    79    80    35.00000  109.50000
   71    79    81    35.00000  109.50000
   71    79    82    35.00000  109.50000
   75    71    72    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    71    72    35.00000  109.50000
   79    71    75    75.00000  113.01200
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    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
   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
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   40    33    55    50   0.11100  1.0 3.0
   40    33    55    56   0.15000  1.0 3.0
   40    33    55    62   0.34400  1.0 1.0
   40    33    55    62   0.09450 -1.0 2.0
   40    33    55    62   0.11100  1.0 3.0
   40    45    49    52  -2.26850  1.0 1.0
   40    45    49    52   3.39050 -1.0 2.0
   41    40    45    46   7.00000 -1.0 2.0
   41    40    45    49   7.00000 -1.0 2.0
   45    49    52    53   0.08050  1.0 3.0
   45    49    52    54   0.08050  1.0 3.0
   45    49    52    59  -0.46850  1.0 1.0
   45    49    52    59   0.09300 -1.0 2.0
   45    49    52    59  -0.12850  1.0 3.0
   46    45    49    52   2.00000 -1.0 2.0
   49    52    59    60   0.23400  1.0 3.0
   49    52    59    61   0.23400  1.0 3.0
   49    52    59    71   1.69300  1.0 1.0
   49    52    59    71  -0.48450 -1.0 2.0
   52    59    71    72   0.17350  1.0 3.0
   52    59    71    75   0.47100  1.0 1.0
   52    59    71    79   0.47100  1.0 1.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    71   0.19200  1.0 3.0
   54    52    59    60   0.15000  1.0 3.0
   54    52    59    61   0.15000  1.0 3.0
   54    52    59    71   0.19200  1.0 3.0
   59    71    75    76   0.15000  1.0 3.0
   59    71    75    77   0.15000  1.0 3.0
   59    71    75    78   0.15000  1.0 3.0
   59    71    79    80   0.15000  1.0 3.0
   59    71    79    81   0.15000  1.0 3.0
   59    71    79    82   0.15000  1.0 3.0
   60    59    71    72   0.13050  1.0 3.0
   60    59    71    75   0.15000  1.0 3.0
   60    59    71    79   0.15000  1.0 3.0
   61    59    71    72   0.13050  1.0 3.0
   61    59    71    75   0.15000  1.0 3.0
   61    59    71    79   0.15000  1.0 3.0
   72    71    75    76   0.13050  1.0 3.0
   72    71    75    77   0.13050  1.0 3.0
   72    71    75    78   0.13050  1.0 3.0
   72    71    79    80   0.13050  1.0 3.0
   72    71    79    81   0.13050  1.0 3.0
   72    71    79    82   0.13050  1.0 3.0
   75    71    79    80   0.15000  1.0 3.0
   75    71    79    81   0.15000  1.0 3.0
   75    71    79    82   0.15000  1.0 3.0
   79    71    75    76   0.15000  1.0 3.0
   79    71    75    77   0.15000  1.0 3.0
   79    71    75    78   0.15000  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    41    40    45  15.00000 -1.0 2.0
   46    49    45    40  15.00000 -1.0 2.0
END
