* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    219    356     665
    1     0 S   NP   _N1_     1    28.82045    98.29492   -23.31267
    2     1 S   H    _HN1     2     1.02787   104.83105   -93.80915
    3     1 S   H    _H1_     3     1.02950    62.83295     9.51291
    4     1 S   H    _H2_     4     1.02828    47.75100   165.30918
    5     1 S   CT   _CA1     5     1.50110   142.17370    98.25907
    6     5 S   HC   _HA1     6     1.09574   105.19590   106.04997
    7     5 S   CO3  _C1_     7     1.53786   112.47241   -14.19727
    8     7 S   O2Z  _O11     8     1.26373   115.00615   -42.54168
    9     7 S   O2Z  _O12     9     1.26242   114.94758   136.60285
   10     5 S   CT   _CB1    10     1.53081   107.41895  -135.96233
   11    10 S   HC   HB11    11     1.09834   109.37408   -49.68326
   12    10 S   HC   HB12    12     1.09813   110.45004    66.92614
   13    10 S   CT   _CG1    13     1.52991   112.60282  -170.65464
   14    13 S   HC   HG11    14     1.09579   110.64573   -65.79326
   15    13 S   HC   HG12    15     1.09671   109.77094    53.43761
   16    13 S   C    _CD1    16     1.51798   112.20764   173.90301
   17    16 S   O    _OE1    17     1.22734   123.28484     7.65899
   18    16 S   N    _N2_    18     1.38660   111.68875  -172.43906
   19    18 S   H    _HN2    19     1.01579   118.93378     1.70238
   20    18 S   CT1  _CA2    20     1.46196   123.37731   177.27653
   21    20 S   HC   _HA2    21     1.09741   109.36252     3.57369
   22    20 S   C    _C2_    22     1.53593   108.60555  -111.88126
   23    22 S   O    _O2_    23     1.23062   122.26682  -147.86510
   24    20 S   CT   _CB2    32     1.53510   111.67639   125.59470
   25    24 S   HC   HB21    33     1.09488   109.55372    56.22595
   26    24 S   HC   HB22    34     1.09296   109.59024   175.09024
   27    22 S   N    _N3_    24     1.38321   113.73251    39.56949
   28    27 S   H    _HN3    25     1.01578   119.59902    -3.23222
   29    24 S   S    _SG2    35     1.82987   111.18138   -64.43703
   30    27 S   CT   _CA3    26     1.45289   123.24055   177.18568
   31    30 S   HC   HA31    27     1.09549   107.50815   -64.78372
   32    30 S   HC   HA32    28     1.09557   107.99281    51.66468
   33    29 S   CT   _C30    36     1.86833   102.24131  -173.98468
   34    30 S   CO3  _C3_    29     1.52970   114.05862   173.66813
   35    34 S   O2Z  _O31    30     1.26379   116.06085    -0.47806
   36    34 S   O2Z  _O32    31     1.26426   114.41648   179.57989
   37    33 S   CT   _C24    37     1.54125   104.83826  -169.17631
   38    37 S   HC   _H62    38     1.09606   112.26729   -62.40205
   39    37 S   HC   _H63    39     1.09714   111.61405    58.79874
   40    37 S   HC   _H64    40     1.09561   111.16138   177.46495
   41    33 S   CT   _C25    41     1.53617   109.70274   -52.66967
   42    41 S   HC   _H65    42     1.09503   111.88132    73.95573
   43    41 S   HC   _H66    43     1.09578   111.23633  -166.58384
   44    41 S   HC   _H67    44     1.09639   111.80115   -47.72052
   45    33 S   CT   _C29    45     1.55953   109.61157    70.90273
   46    45 S   HC   _H73    46     1.09562   110.00557   -60.55341
   47    45 S   CT   _C27    47     1.54233   114.47743   178.35444
   48    47 S   HC   _H70    48     1.09214   109.37073    52.89645
   49    47 S   HC   _H71    49     1.09596   109.87212   -65.78156
   50    45 S   OH   _O29   108     1.43165   110.08095    57.33451
   51    50 S   HO   _H75   109     0.97320   107.07901   -52.35661
   52    47 S   CT   _C26    50     1.54015   111.94628   174.18884
   53    52 S   HC   _H68    51     1.09446   107.89669    52.11286
   54    52 S   HC   _H69    52     1.09754   109.24602   -63.29641
   55    52 S   CT   _C28    53     1.55427   114.09067   173.82981
   56    55 S   HC   _H72    54     1.09742   107.53902   -52.73620
   57    55 S   CT   _C17    55     1.55920   110.16925  -171.03498
   58    57 S   HC   _H51    56     1.10091   107.04720   -57.49434
   59    55 S   CT   _C23   104     1.53200   110.26620    64.66176
   60    59 S   HC   _H59   105     1.09487   111.23956    68.87327
   61    59 S   HC   _H60   106     1.09135   111.36455  -169.75796
   62    59 S   HC   _H61   107     1.09298   112.09776   -52.10861
   63    57 S   CT   _C10    57     1.55937   111.89122    59.44638
   64    63 S   HC   _H40    58     1.09603   112.01423    29.14652
   65    63 S   HC   _H41    59     1.09599   110.15974   -90.50451
   66    63 S   CT   _C8_    60     1.53313   107.40563   149.31433
   67    66 S   HC   _H36    61     1.09478   111.29672   130.51763
   68    66 S   HC   _H37    62     1.09575   110.51524  -110.07653
   69    66 S   CT   _C16    63     1.51984   103.77756     9.66007
   70    69 S   HC   _H50    64     1.10341   106.01720    77.90848
   71    69 S   CT   _C14    65     1.53361   117.82116  -163.07520
   72    71 S   HC   _H48    66     1.09594   109.23334    60.76213
   73    71 S   CT   _C6_    67     1.53689   110.79661   -57.58939
   74    73 S   HC   _H32    68     1.09672   109.04276    74.30425
   75    73 S   HC   _H33    69     1.09716   110.61692   -42.84261
   76    71 S   CT   _C15    85     1.55315   109.58245  -179.21640
   77    76 S   HC   _H49    86     1.10234   105.86074    65.71403
   78    73 S   CM   _C4_    70     1.49523   113.69267  -164.33481
   79    78 S   HC   _H31    71     1.08758   115.69442  -166.45373
   80    76 S   CT   _C9_    87     1.54942   112.30052   -48.76434
   81    80 S   HC   _H38    88     1.09383   110.65255   -74.15637
   82    80 S   HC   _H39    89     1.09590   109.66833   169.01201
   83    78 S   CM   _C5_    72     1.34440   124.70367    13.33196
   84    80 S   CT   _C13    90     1.53887   113.91561    48.00800
   85    84 S   HC   _H46    91     1.09768   108.72342    68.26187
   86    84 S   HC   _H47    92     1.09283   107.94390  -176.83962
   87    83 S   CT   _C7_    73     1.51174   119.97798  -178.82830
   88    87 S   HC   _H34    74     1.09785   111.60670    -7.24906
   89    87 S   HC   _H35    75     1.09740   109.60865   108.41543
   90    57 S   CT   _C20    93     1.56218   119.78033   179.79826
   91    87 S   CT   _C18    76     1.52584   111.90091  -129.34369
   92    91 S   HC   _H52    77     1.09694   109.72459    68.55741
   93    90 S   CT   _C22    94     1.54756   110.89810   -44.98349
   94    93 S   HC   _H56    95     1.09461   112.35584   -46.90167
   95    93 S   HC   _H57    96     1.09311   112.76751  -167.58179
   96    93 S   HC   _H58    97     1.09454   111.02549    72.91516
   97    91 S   CT   _C11    78     1.52544   111.17410   -53.37683
   98    97 S   HC   _H42    79     1.09694   110.18930   -66.93210
   99    97 S   HC   _H43    80     1.09706   109.56891   177.63479
  100    91 S   OH   _O28   102     1.42434   108.63848  -173.89632
  101   100 S   HO   _H74   103     0.97246   107.51689  -179.64612
  102    97 S   CT   _C12    81     1.52815   111.24133    56.21512
  103   102 S   HC   _H44    82     1.09861   107.78228    67.05434
  104   102 S   HC   _H45    83     1.09654   108.16690  -178.38662
  105    83 S   CT   _C19    84     1.53505   122.87891     1.49567
  106   105 S   CT   _C21    98     1.54769   107.99454  -107.87445
  107   106 S   HC   _H53    99     1.09480   111.68022  -171.48401
  108   106 S   HC   _H54   100     1.09485   111.79938    67.50877
  109   106 S   HC   _H55   101     1.09516   112.35826   -52.45761
  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  13   5   4   3
  16   2   1   1  11   4   3   2   7   3   2   1  10   6  11   6
   5   2   1  12   5   4  15   8  23   9   5   2   1   1  11   6
   5  11   5   4  19   7  18   9  11   5   4  20   8   9   3  11
   6   5  15   8   3   2  12   6   5   4  10   6   3   2   1   1
   9   6   5   2   1   7   3   2   4   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    41    45    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44    45    46    47    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    46    47    48    49    52    50    51  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44    45    46    47    50  
   39    40    41    45  
   40    41    45  
   41    45  
   42    43    44    45    46    47    50  
   43    44    45  
   44    45  
   45  
   46    47    48    49    52    53    54    55    50    51  
   47    48    49    52    50    51  
   48    49    52    53    54    55    56    57    59    50    51  
   49    52    53    54    55    50  
   52    53    54    55    50  
   51    52  
    0  
   53    54    55    56    57    58    63    90    59    60    61    62  
   54    55    56    57    59  
   55    56    57    59  
   56    57    58    63    64    65    66    69    84    90    93    59    60    61    62  
   57    58    63    90    59    60    61    62  
   58    63    64    65    66    67    68    69    70    71    80    84    85    86    90    93    94    95    96    59    60    61    62  
   63    64    65    66    69    84    90    93    59  
   60    61    62    63    90  
   61    62  
   62  
    0  
   64    65    66    67    68    69    70    71    84    90    93  
   65    66    67    68    69    90  
   66    67    68    69    90  
   67    68    69    70    71    72    73    76    84    90    93  
   68    69    70    71    90  
   69    70    71    90  
   70    71    72    73    74    75    78   105    76    77    80    84    85    86    90    93    94    95    96  
   71    72    73    76    84    90    93  
   72    73    74    75    78    79    83   102   105    76    77    80    81    82    84    90    93   106  
   73    74    75    78   105    76    77    80    90  
   74    75    78    79    83    87   105    76    77    80    90  
   75    78    79    83    76  
   78    79    83    76  
   77    80    81    82    84    85    86    90   106   107   108   109    78    83    87    97   102   103   104   105  
   80    81    82    84   106    83   102   105  
   79    83    87    88    89    91   102   105   106  
   83    87   105  
   81    82    84    85    86    90    93   106    83   102   105  
   82    84    85    86    90   105  
   84    85    86    90   105  
   87    88    89    91    92    97   102   103   104   105   106   107   108   109   100  
   85    86    90    93    94    95    96   105  
   86    90    93  
   90    93  
   88    89    91    92    97    98    99   102   105   106   100   101  
   89    91    92    97   105   100  
   91    92    97   105   100  
   93    94    95    96  
   92    97    98    99   102   103   104   105   100   101  
   97    98    99   102   100   101  
   94    95    96  
   95    96  
   96  
    0  
   98    99   102   103   104   105   106   100   101  
   99   102   103   104   105   100  
  102   103   104   105   100  
  101   102  
    0  
  103   104   105   106   107   108   109  
  104   105   106  
  105   106  
  106   107   108   109  
  107   108   109  
  108   109  
  109  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   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   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   91   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  101   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  106   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   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    41   268.000  1.529
   33    45   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    50   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    90   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    90   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    78   317.000  1.510
   78    79   340.000  1.080
   78    83   549.000  1.340
   83    87   317.000  1.510
   83   105   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    91   268.000  1.529
   91    92   340.000  1.090
   91    97   268.000  1.529
   91   100   320.000  1.410
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105    76   268.000  1.529
  105   106   268.000  1.529
   76    77   340.000  1.090
   76    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    90   268.000  1.529
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
  106   107   340.000  1.090
  106   108   340.000  1.090
  106   109   340.000  1.090
  100   101   553.000  0.945
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    45    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   33    45    50    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    33    37    58.35000  112.70000
   45    33    41    58.35000  112.70000
   45    47    48    37.50000  110.70000
   45    47    49    37.50000  110.70000
   45    47    52    58.35000  112.70000
   45    50    51    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    58.35000  112.70000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    59    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    63    58.35000  112.70000
   55    57    90    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    62    37.50000  110.70000
   57    55    56    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    66    58.35000  112.70000
   57    90    69    58.35000  112.70000
   57    90    84    58.35000  112.70000
   57    90    93    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    90    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    72    37.50000  110.70000
   69    71    73    58.35000  112.70000
   69    71    76    58.35000  112.70000
   69    90    84    58.35000  112.70000
   69    90    93    58.35000  112.70000
   71    69    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    73    78    70.00000  112.02700
   71    76   105    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    80    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    78    79    35.00000  117.00000
   73    78    83    70.00000  124.00000
   75    73    74    33.00000  107.80000
   78    73    74    35.00000  109.50000
   78    73    75    35.00000  109.50000
   78    83    87    70.00000  124.00000
   78    83   105    70.00000  124.00000
   83    78    79    35.00000  120.00000
   83    87    88    35.00000  109.50000
   83    87    89    35.00000  109.50000
   83    87    91    70.00000  112.02700
   83   105   102    70.00000  112.02700
   83   105    76    70.00000  112.02700
   83   105   106    70.00000  112.02700
   87    91    92    37.50000  110.70000
   87    91    97    58.35000  112.70000
   87    91   100    50.00000  109.50000
   89    87    88    33.00000  107.80000
   91    87    88    37.50000  110.70000
   91    87    89    37.50000  110.70000
   91    97    98    37.50000  110.70000
   91    97    99    37.50000  110.70000
   91    97   102    58.35000  112.70000
   91   100   101    55.00000  108.50000
   97    91    92    37.50000  110.70000
   97   102   103    37.50000  110.70000
   97   102   104    37.50000  110.70000
   97   102   105    58.35000  112.70000
   99    97    98    33.00000  107.80000
  102    97    98    37.50000  110.70000
  102    97    99    37.50000  110.70000
  102   105    76    58.35000  112.70000
  102   105   106    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105    83    87    65.00000  117.92700
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105    76    77    37.50000  110.70000
  105    76    80    58.35000  112.70000
  105   106   107    37.50000  110.70000
  105   106   108    37.50000  110.70000
  105   106   109    37.50000  110.70000
   76    71    72    37.50000  110.70000
   76    71    73    58.35000  112.70000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    84    58.35000  112.70000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    90    58.35000  112.70000
   82    80    81    33.00000  107.80000
   84    80    81    37.50000  110.70000
   84    80    82    37.50000  110.70000
   84    90    93    58.35000  112.70000
   86    84    85    33.00000  107.80000
   90    57    58    37.50000  110.70000
   90    57    63    58.35000  112.70000
   90    69    70    37.50000  110.70000
   90    69    71    58.35000  112.70000
   90    84    85    37.50000  110.70000
   90    84    86    37.50000  110.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    37.50000  110.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
  106   105    76    58.35000  112.70000
  108   106   107    33.00000  107.80000
  109   106   107    33.00000  107.80000
  109   106   108    33.00000  107.80000
  100    91    92    35.00000  109.50000
  100    91    97    50.00000  109.50000
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    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
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   97    91   100   101   0.21250  1.0 3.0
   97   102  -105    83   0.34400  1.0 1.0
   97   102  -105    83   0.09450 -1.0 2.0
   97   102  -105    83   0.11100  1.0 3.0
   97   102   105    76   0.56750  1.0 1.0
   97   102   105    76  -0.07550 -1.0 2.0
   97   102   105    76   0.20000  1.0 3.0
   97   102   105   106   0.56750  1.0 1.0
   97   102   105   106  -0.07550 -1.0 2.0
   97   102   105   106   0.20000  1.0 3.0
   98    97   102   103   0.15000  1.0 3.0
   98    97   102   104   0.15000  1.0 3.0
   98    97   102   105   0.15000  1.0 3.0
   99    97   102   103   0.15000  1.0 3.0
   99    97   102   104   0.15000  1.0 3.0
   99    97   102   105   0.15000  1.0 3.0
  102   105    76    71   0.56750  1.0 1.0
  102   105    76    71  -0.07550 -1.0 2.0
  102   105    76    71   0.20000  1.0 3.0
  102   105    76    77   0.15000  1.0 3.0
  102   105    76    80   0.56750  1.0 1.0
  102   105    76    80  -0.07550 -1.0 2.0
  102   105    76    80   0.20000  1.0 3.0
  102   105   106   107   0.15000  1.0 3.0
  102   105   106   108   0.15000  1.0 3.0
  102   105   106   109   0.15000  1.0 3.0
  103   102   105    83   0.15000  1.0 3.0
  103   102   105    76   0.15000  1.0 3.0
  103   102   105   106   0.15000  1.0 3.0
  104   102   105    83   0.15000  1.0 3.0
  104   102   105    76   0.15000  1.0 3.0
  104   102   105   106   0.15000  1.0 3.0
  105    83    87    88   0.34800  1.0 3.0
  105    83    87    89   0.34800  1.0 3.0
  105    83   -87    91   0.46850  1.0 1.0
  105    83   -87    91   0.08550 -1.0 2.0
  105    83   -87    91   0.09800  1.0 3.0
  105    76    80    81   0.15000  1.0 3.0
  105    76    80    82   0.15000  1.0 3.0
  105    76    80    84   0.56750  1.0 1.0
  105    76    80    84  -0.07550 -1.0 2.0
  105    76    80    84   0.20000  1.0 3.0
   76    71    73    74   0.15000  1.0 3.0
   76    71    73    75   0.15000  1.0 3.0
   76    71   -73    78   0.34400  1.0 1.0
   76    71   -73    78   0.09450 -1.0 2.0
   76    71   -73    78   0.11100  1.0 3.0
   76   105   106   107   0.15000  1.0 3.0
   76   105   106   108   0.15000  1.0 3.0
   76   105   106   109   0.15000  1.0 3.0
   76    80    84    85   0.15000  1.0 3.0
   76    80    84    86   0.15000  1.0 3.0
   76    80    84    90   0.56750  1.0 1.0
   76    80    84    90  -0.07550 -1.0 2.0
   76    80    84    90   0.20000  1.0 3.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    84   0.15000  1.0 3.0
   80    84    90    57   0.56750  1.0 1.0
   80    84    90    57  -0.07550 -1.0 2.0
   80    84    90    57   0.20000  1.0 3.0
   80    84   -90    69   0.56750  1.0 1.0
   80    84   -90    69  -0.07550 -1.0 2.0
   80    84   -90    69   0.20000  1.0 3.0
   80    84    90    93   0.56750  1.0 1.0
   80    84    90    93  -0.07550 -1.0 2.0
   80    84    90    93   0.20000  1.0 3.0
   81    80    84    85   0.15000  1.0 3.0
   81    80    84    86   0.15000  1.0 3.0
   81    80    84    90   0.15000  1.0 3.0
   82    80    84    85   0.15000  1.0 3.0
   82    80    84    86   0.15000  1.0 3.0
   82    80    84    90   0.15000  1.0 3.0
   84    90    93    94   0.15000  1.0 3.0
   84    90    93    95   0.15000  1.0 3.0
   84    90    93    96   0.15000  1.0 3.0
   85    84    90    57   0.15000  1.0 3.0
   85    84    90    69   0.15000  1.0 3.0
   85    84    90    93   0.15000  1.0 3.0
   86    84    90    57   0.15000  1.0 3.0
   86    84    90    69   0.15000  1.0 3.0
   86    84    90    93   0.15000  1.0 3.0
   90    57    63    64   0.15000  1.0 3.0
   90    57    63    65   0.15000  1.0 3.0
   90    57   -63    66   0.56750  1.0 1.0
   90    57   -63    66  -0.07550 -1.0 2.0
   90    57   -63    66   0.20000  1.0 3.0
   90    69    71    72   0.15000  1.0 3.0
   90    69    71    73   0.56750  1.0 1.0
   90    69    71    73  -0.07550 -1.0 2.0
   90    69    71    73   0.20000  1.0 3.0
   90    69   -71    76   0.56750  1.0 1.0
   90    69   -71    76  -0.07550 -1.0 2.0
   90    69   -71    76   0.20000  1.0 3.0
  106   105    76    71   0.56750  1.0 1.0
  106   105    76    71  -0.07550 -1.0 2.0
  106   105    76    71   0.20000  1.0 3.0
  106   105    76    77   0.15000  1.0 3.0
  106   105    76    80   0.56750  1.0 1.0
  106   105    76    80  -0.07550 -1.0 2.0
  106   105    76    80   0.20000  1.0 3.0
  100    91    97    98   0.23400  1.0 3.0
  100    91    97    99   0.23400  1.0 3.0
  100    91    97   102   0.86500  1.0 1.0
  100    91    97   102  -0.17500 -1.0 2.0
  100    91    97   102   0.20800  1.0 3.0
   59    55    57    58   0.15000  1.0 3.0
   59    55    57    63   0.56750  1.0 1.0
   59    55    57    63  -0.07550 -1.0 2.0
   59    55    57    63   0.20000  1.0 3.0
   59    55    57    90   0.56750  1.0 1.0
   59    55    57    90  -0.07550 -1.0 2.0
   59    55    57    90   0.20000  1.0 3.0
   50    45    47    48   0.23400  1.0 3.0
   50    45    47    49   0.23400  1.0 3.0
   50    45    47    52   0.86500  1.0 1.0
   50    45    47    52  -0.17500 -1.0 2.0
   50    45    47    52   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
   36    30    34    35  10.50000 -1.0 2.0
   73    79    78    83   1.10000 -1.0 2.0
   87   105    83    78   1.10000 -1.0 2.0
END
