* LIGAND DATABASE FILE (OPLS2005)
*
001     116   117    218    333     646
    1     0 S   NP   _N1_     1    29.17321    93.39189   -25.47917
    2     1 S   H    _HN1     2     1.02950    86.62599    14.96907
    3     1 S   H    _H1_     3     1.02828    20.55953  -159.29024
    4     1 S   H    _H2_     4     1.02786   117.84337   -94.04725
    5     1 S   CT   _CA1     5     1.50118   117.85526   126.29455
    6     5 S   HC   _HA1     6     1.09575   105.18684    80.44757
    7     5 S   CO3  _C1_     7     1.53784   112.46518   -39.76540
    8     7 S   O2Z  _O11     8     1.26372   115.00575   -42.41421
    9     7 S   O2Z  _O12     9     1.26241   114.94479   136.69368
   10     5 S   CT   _CB1    10     1.53078   107.41590  -161.58554
   11    10 S   HC   HB11    11     1.09833   109.34899   -49.78027
   12    10 S   HC   HB12    12     1.09812   110.45599    66.82050
   13    10 S   CT   _CG1    13     1.52992   112.61755  -170.76541
   14    13 S   HC   HG11    14     1.09582   110.62917   -66.01717
   15    13 S   HC   HG12    15     1.09672   109.78312    53.21464
   16    13 S   C    _CD1    16     1.51806   112.22165   173.64668
   17    16 S   O    _OE1    17     1.22731   123.28726     7.06458
   18    16 S   N    _N2_    18     1.38656   111.67215  -172.97167
   19    18 S   H    _HN2    19     1.01579   118.93648     1.63853
   20    18 S   CT1  _CA2    20     1.46205   123.39443   177.28993
   21    20 S   HC   _HA2    21     1.09740   109.36944     3.28736
   22    20 S   C    _C2_    22     1.53593   108.70333  -112.16773
   23    22 S   O    _O2_    23     1.23064   122.26002  -148.69974
   24    20 S   CT   _CB2    32     1.53479   111.53254   125.33478
   25    24 S   HC   HB21    33     1.09360   109.56764    56.34661
   26    24 S   HC   HB22    34     1.09434   109.57389   175.11477
   27    22 S   N    _N3_    24     1.38321   113.75508    38.79464
   28    27 S   H    _HN3    25     1.01578   119.59104    -3.33930
   29    24 S   S    _SG2    35     1.83159   111.03977   -65.50965
   30    27 S   CT   _CA3    26     1.45286   123.22340   177.12731
   31    30 S   HC   HA31    27     1.09549   107.51330   -64.55269
   32    30 S   HC   HA32    28     1.09557   107.98398    51.88936
   33    29 S   CT   _C26    36     1.87745   102.42017   172.05310
   34    30 S   CO3  _C3_    29     1.52963   114.07279   173.88673
   35    34 S   O2Z  _O31    30     1.26379   116.06976    -0.54500
   36    34 S   O2Z  _O32    31     1.26429   114.41340   179.51021
   37    33 S   CO4  _C25    37     1.53216   107.66269    47.84429
   38    37 S   O    _O34    38     1.22850   122.62158  -100.10804
   39    33 S   CT   _C17    51     1.56292   110.02872   166.52981
   40    33 S   CT   _C27   113     1.53892   107.51752   -71.89721
   41    40 S   HC   _H30   114     1.09566   111.89845   -63.30221
   42    40 S   HC   _H31   115     1.09581   111.15950   176.35546
   43    40 S   HC   _H32   116     1.09457   112.71946    58.38394
   44    37 S   CA   _C24    39     1.48633   118.00884    78.45095
   45    39 S   CT   _C16    52     1.55864   112.66041   174.65493
   46    45 S   HC   _H24    53     1.09246   110.58471    41.38039
   47    45 S   HC   _H25    54     1.09801   109.27046   -74.78145
   48    39 S   OH   _O35   111     1.43202   108.86748    56.02500
   49    48 S   HO   _H33   112     0.97290   108.05093  -169.95177
   50    44 S   CA   _C23    40     1.39946   119.34055  -167.37910
   51    50 S   HA   _H29    41     1.08708   121.17596    -0.74572
   52    45 S   CM   _C15    55     1.50878   113.94411   166.74237
   53    52 S   HC   _H23    56     1.08959   114.35732    68.16118
   54    50 S   CA   _C22    42     1.39553   120.00911   178.57962
   55    54 S   HA   _H28    43     1.08650   119.89373  -179.69739
   56    52 S   CM   _C14    57     1.34747   127.82454  -110.12715
   57    54 S   CA   _C21    44     1.39389   120.20565     0.32143
   58    57 S   HA   _H27    45     1.08647   119.96467   179.69933
   59    56 S   CT   _C28    58     1.50460   125.44625    -1.98525
   60    59 S   HC   _H34    59     1.09403   110.35204   120.55490
   61    59 S   HC   _H35    60     1.09106   113.95404     0.15949
   62    59 S   HC   _H36    61     1.09513   109.97007  -120.20099
   63    56 S   CT   _C13    62     1.51562   119.85431   177.15820
   64    63 S   HC   _H21    63     1.09762   110.57665    24.37416
   65    63 S   HC   _H22    64     1.09721   109.23313   140.51837
   66    57 S   CA   _C20    46     1.39430   120.04977    -0.10468
   67    66 S   HA   _H26    47     1.08708   118.99588   179.44398
   68    63 S   CT   _C12    65     1.53368   111.30457   -97.23316
   69    68 S   HC   _H19    66     1.09623   109.19107    64.22624
   70    68 S   HC   _H20    67     1.09474   109.55449   -52.51985
   71    44 S   CA   _C19    48     1.39743   120.98608    11.70370
   72    68 S   CT   _C11    68     1.53165   111.29178  -174.07672
   73    72 S   HC   _H17    69     1.09782   109.09117   -57.54706
   74    72 S   HC   _H18    70     1.09714   109.00564    57.35539
   75    71 S   CO4  _C18    49     1.47876   120.47790     2.21788
   76    75 S   O    _O33    50     1.22782   120.24569  -165.59165
   77    72 S   CT   _C9_    71     1.54365   114.95443   179.88131
   78    77 S   HC   _H4_    72     1.09865   106.65104  -173.21730
   79    77 S   CT   _C10    73     1.53265   111.08985    70.74353
   80    79 S   HC   _H14    74     1.09461   111.76807   -67.56305
   81    79 S   HC   _H15    75     1.09544   110.55972   172.52147
   82    79 S   HC   _H16    76     1.09502   110.91625    53.26642
   83    77 S   CT   _C8_    77     1.54249   114.78013   -54.24136
   84    83 S   HC   _H12    78     1.09803   108.49800  -176.26954
   85    83 S   HC   _H13    79     1.09713   110.06835    68.07656
   86    83 S   CT   _C7_    80     1.53283   113.75807   -55.20832
   87    86 S   HC   _H10    81     1.09542   109.17326   -55.58933
   88    86 S   HC   _H11    82     1.09328   109.55042    61.87052
   89    86 S   CT   _C6_    83     1.53292   111.02126  -177.14015
   90    89 S   HC   _H8_    84     1.09802   108.75569    61.45677
   91    89 S   HC   _H9_    85     1.09672   109.28948   -53.35521
   92    89 S   CT   _C5_    86     1.54308   115.06872  -176.48375
   93    92 S   HC   _H3_    87     1.09870   106.63906   178.32205
   94    92 S   CT   _C4_    88     1.53233   111.27174   -65.55852
   95    94 S   HC   _H5_    89     1.09462   111.76763    68.70547
   96    94 S   HC   _H6_    90     1.09548   110.53188  -171.47774
   97    94 S   HC   _H7_    91     1.09501   110.92660   -52.22164
   98    92 S   CT   _C29    92     1.54265   114.56997    59.56716
   99    98 S   HC   _H37    93     1.09653   110.36632   -65.29084
  100    98 S   HC   _H38    94     1.09816   108.37294   179.01603
  101    98 S   CT   _C30    95     1.53302   113.67537    58.38844
  102   101 S   HC   _H39    96     1.09506   108.87989    54.25029
  103   101 S   HC   _H40    97     1.09552   110.23085   -63.51523
  104   101 S   CT   _C31    98     1.53302   111.04118   175.84075
  105   104 S   HC   _H41    99     1.09745   109.57025   -58.73404
  106   104 S   HC   _H42   100     1.09778   108.40310    57.27085
  107   104 S   CT   _C32   101     1.53970   113.40579   178.38432
  108   107 S   HC   _H43   102     1.09599   108.80155   -53.64703
  109   107 S   CT   _C33   103     1.52933   112.32859    66.18043
  110   109 S   HC   _H44   104     1.09520   111.26417    55.62633
  111   109 S   HC   _H45   105     1.09538   110.77320   175.62127
  112   109 S   HC   _H46   106     1.09399   111.38620   -65.18114
  113   107 S   CT   _C34   107     1.53031   109.92710  -171.39698
  114   113 S   HC   _H47   108     1.09532   111.28794   -62.03867
  115   113 S   HC   _H48   109     1.09508   110.86193    58.26095
  116   113 S   HC   _H49   110     1.09525   110.79933   177.67965
  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
  18   2   1   1  15   5  17   7   2   1   1  10  12   6   5   5
   1   8   4  11   3   6   3  11   5   3   7   3   2   1   9   5
   4   4   2   9   5   4   2  12   5   4   1   1  12   8   7   3
   2   1   9   5   4   9   5   4  12   5   4  12   8   7   3   2
   1   9   5   4   9   5   4  12   5   4   9   8   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    75    39    45    48    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    50    71    75    76    39    45    46    47    52    48    49    40    41    42    43  
   35    36  
   36  
    0  
   38    44    50    51    54    66    71    75    39    45    48    40    41    42    43  
   44    50    71    39    40  
   45    46    47    52    53    56    48    49    40    41    42    43    44    66    71    75    76  
   41    42    43    44    45    48    75  
   42    43  
   43  
    0  
   50    51    54    55    57    66    67    71    75    76  
   46    47    52    53    56    59    63    48    49    71    75    76  
   47    52    53    56    48    75  
   52    53    56    48    75  
   49    52    71    75    76  
   75  
   51    54    55    57    58    66    71    75  
   54    55    57    71  
   53    56    59    60    61    62    63    64    65    68    75  
   56    59    63  
   55    57    58    66    67    71  
   57    58    66  
   59    60    61    62    63    64    65    68    69    70    72  
   58    66    67    71    75  
   66    67    71  
   60    61    62    63    64    65    68  
   61    62    63  
   62    63  
   63  
   64    65    68    69    70    72    73    74    77  
   65    68    69    70    72  
   68    69    70    72  
   67    71    75    76  
   71    75  
   69    70    72    73    74    77    78    79    83  
   70    72    73    74    77  
   72    73    74    77  
   75    76  
   73    74    77    78    79    80    81    82    83    84    85    86  
   74    77    78    79    83  
   77    78    79    83  
   76  
    0  
   78    79    80    81    82    83    84    85    86    87    88    89  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    93    94    98  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96    97    98    99   100   101  
   91    92    93    94    98  
   92    93    94    98  
   93    94    95    96    97    98    99   100   101   102   103   104  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101   102   103   104   105   106   107  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106   107   108   109   113  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   111   112   113   114   115   116  
  106   107   108   109   113  
  107   108   109   113  
  108   109   110   111   112   113   114   115   116  
  109   110   111   112   113   114   115   116  
  110   111   112   113   114   115   116  
  111   112   113  
  112   113  
  113  
  114   115   116  
  115   116  
  116  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
  107   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   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   317.000  1.522
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    50   469.000  1.400
   44    71   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    75   310.000  1.470
   75    76   570.000  1.229
   75    39   317.000  1.522
   39    45   268.000  1.529
   39    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    59   317.000  1.510
   56    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   268.000  1.529
  107   113   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
   48    49   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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  110.18000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    75    63.00000  111.10000
   33    39    45    58.35000  112.70000
   33    39    48    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    50    60.00000  119.52600
   37    44    71    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    50    51    35.00000  120.00000
   44    50    54    63.00000  120.00000
   44    71    66    63.00000  120.00000
   44    71    75    60.00000  119.52600
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    66    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    66    67    35.00000  120.00000
   57    66    71    63.00000  120.00000
   66    57    58    35.00000  120.00000
   66    71    75    60.00000  119.52600
   71    44    50    63.00000  120.00000
   71    66    67    35.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    39    65.00000  115.47100
   75    39    45    63.00000  111.10000
   75    39    48    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    75    76    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    52    70.00000  112.02700
   39    48    49    55.00000  108.50000
   45    52    53    35.00000  117.00000
   45    52    56    70.00000  124.00000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    56    59    70.00000  124.00000
   52    56    63    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    68    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    59    65.00000  117.92700
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    83    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    58.35000  112.70000
   79    77    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    58.35000  112.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    58.35000  112.70000
   89    92    98    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    97    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   101    58.35000  112.70000
   94    92    93    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    58.35000  112.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    58.35000  112.70000
  104   107   113    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   109   110    37.50000  110.70000
  107   109   111    37.50000  110.70000
  107   109   112    37.50000  110.70000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
  109   107   108    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  113   107   108    37.50000  110.70000
  113   107   109    58.35000  112.70000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
   48    39    45    50.00000  109.50000
   40    33    37    63.00000  111.10000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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  104   107   109   110   0.15000  1.0 3.0
  104   107   109   111   0.15000  1.0 3.0
  104   107   109   112   0.15000  1.0 3.0
  104   107   113   114   0.15000  1.0 3.0
  104   107   113   115   0.15000  1.0 3.0
  104   107   113   116   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   113   0.15000  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   113   0.15000  1.0 3.0
  108   107   109   110   0.15000  1.0 3.0
  108   107   109   111   0.15000  1.0 3.0
  108   107   109   112   0.15000  1.0 3.0
  108   107   113   114   0.15000  1.0 3.0
  108   107   113   115   0.15000  1.0 3.0
  108   107   113   116   0.15000  1.0 3.0
  109   107   113   114   0.15000  1.0 3.0
  109   107   113   115   0.15000  1.0 3.0
  109   107   113   116   0.15000  1.0 3.0
  113   107   109   110   0.15000  1.0 3.0
  113   107   109   111   0.15000  1.0 3.0
  113   107   109   112   0.15000  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    52   1.05650  1.0 1.0
   48    39    45    52   0.15600 -1.0 2.0
   48    39    45    52   0.53150  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    44   0.05850 -1.0 2.0
   40    33    37    44   0.17250  1.0 3.0
   40    33    39    75  -0.95700  1.0 1.0
   40    33    39    75  -0.18200 -1.0 2.0
   40    33    39    75   0.29450  1.0 3.0
   40    33    39    45   0.56750  1.0 1.0
   40    33    39    45  -0.07550 -1.0 2.0
   40    33    39    45   0.20000  1.0 3.0
   40    33    39    48   0.86500  1.0 1.0
   40    33    39    48  -0.17500 -1.0 2.0
   40    33    39    48   0.20800  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    44    37    38  10.50000 -1.0 2.0
   50    71    44    37   4.00000 -1.0 2.0
   54    51    50    44   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   66    58    57    54   1.10000 -1.0 2.0
   71    67    66    57   1.10000 -1.0 2.0
   66    75    71    44   4.00000 -1.0 2.0
   71    39    75    76  10.50000 -1.0 2.0
   45    53    52    56  15.00000 -1.0 2.0
   59    63    56    52  15.00000 -1.0 2.0
END
