* LIGAND DATABASE FILE (OPLS2005)
*
001     103   107    207    345     633
    1     0 S   NP   _N1_     1    28.79920    96.41678   -24.70361
    2     1 S   H    _HN1     2     1.02947    69.63943     8.24660
    3     1 S   H    _H1_     3     1.02827    37.78908  -179.44574
    4     1 S   H    _H2_     4     1.02798   115.56815   -92.99039
    5     1 S   CT   _CA1     5     1.50134   129.27574   108.47809
    6     5 S   HC   _HA1     6     1.09573   105.15903    97.91437
    7     5 S   CO3  _C1_     7     1.53760   112.37654   -22.30946
    8     7 S   O2Z  _O11     8     1.26380   115.00616   -44.35009
    9     7 S   O2Z  _O12     9     1.26222   114.93299   134.54017
   10     5 S   CT   _CB1    10     1.53041   107.38805  -144.13419
   11    10 S   HC   HB11    11     1.09847   109.34665   -49.11559
   12    10 S   HC   HB12    12     1.09810   110.48388    67.46382
   13    10 S   CT   _CG1    13     1.53043   112.65719  -170.01148
   14    13 S   HC   HG11    14     1.09565   110.79605   -67.41751
   15    13 S   HC   HG12    15     1.09663   109.67550    51.85742
   16    13 S   C    _CD1    16     1.51815   111.77253   172.39656
   17    16 S   O    _OE1    17     1.22780   123.08920    15.27596
   18    16 S   N    _N2_    18     1.38627   111.98929  -164.82706
   19    18 S   H    _HN2    19     1.01594   119.06581     0.67897
   20    18 S   CT1  _CA2    20     1.46245   123.29817   176.52464
   21    20 S   HC   _HA2    21     1.09744   109.24120     8.60407
   22    20 S   C    _C2_    22     1.53706   109.03286  -106.95002
   23    22 S   O    _O2_    23     1.23094   122.17769  -149.73717
   24    20 S   CT   _CB2    32     1.53485   111.64144   130.53867
   25    24 S   HC   HB21    33     1.09394   109.46317    58.26184
   26    24 S   HC   HB22    34     1.09409   109.52180   177.00278
   27    22 S   N    _N3_    24     1.38291   113.94159    37.78023
   28    27 S   H    _HN3    25     1.01533   119.61388    -3.33196
   29    24 S   S    _SG2    35     1.82985   111.01603   -63.61600
   30    27 S   CT   _CA3    26     1.45279   123.32490   177.20845
   31    30 S   HC   HA31    27     1.09546   107.51219   -64.89167
   32    30 S   HC   HA32    28     1.09554   108.00489    51.57695
   33    29 S   CT   _C22    36     1.91335   102.49963   169.21265
   34    30 S   CO3  _C3_    29     1.52987   114.01604   173.57203
   35    34 S   O2Z  _O31    30     1.26390   116.07474    -0.55320
   36    34 S   O2Z  _O32    31     1.26423   114.42158   179.51221
   37    33 S   CM   _C27    37     1.51526   104.07667   -65.13799
   38    37 S   HC   _H34    38     1.08962   116.68796    88.66766
   39    33 S   CT   _C21    93     1.54490   109.12294    55.56385
   40    39 S   HC   _H28    94     1.09611   111.62730   -59.29967
   41    39 S   HC   _H29    95     1.09742   109.98732  -174.30684
   42    37 S   CMA  _C26    39     1.35075   125.16021   -90.20696
   43    42 S   OM   _O40    40     1.26210   129.24315   178.93706
   44    42 S   CT   _C25    41     1.53019   119.54140    -1.98584
   45    44 S   HC   _H32    42     1.09992   110.18794   124.52477
   46    44 S   HC   _H33    43     1.10107   108.45734  -119.77252
   47    44 S   CT   _C24    44     1.54326   117.10853     1.41485
   48    47 S   HC   _H30    45     1.09630   109.08119    93.93707
   49    47 S   HC   _H31    46     1.09713   107.69627  -152.63920
   50    33 S   CT   _C23    47     1.58738   111.48797   176.07524
   51    50 S   CT   _C8_    48     1.57604   109.11764   -61.45258
   52    51 S   HC   _H3_    49     1.09825   107.42315    59.78290
   53    50 S   CT   _C28   100     1.56508   111.89320   177.81314
   54    53 S   HC   _H35   101     1.09186   113.20673    68.35659
   55    53 S   HC   _H36   102     1.09373   112.87549   -52.07032
   56    53 S   HC   _H37   103     1.09545   111.02669  -171.26583
   57    51 S   CT   _C7_    50     1.55250   114.85073   174.97675
   58    57 S   HC   _H17    51     1.09400   110.61954    57.00685
   59    57 S   HC   _H18    52     1.09562   109.84776   -60.19811
   60    57 S   CT   _C6_    53     1.54123   112.98882   179.70926
   61    60 S   HC   _H15    54     1.09781   108.42662    68.40811
   62    60 S   HC   _H16    55     1.09664   109.64855  -175.95001
   63    60 S   CT   _C5_    56     1.53541   111.65857   -52.90384
   64    63 S   CT   _C10    57     1.54185   108.35084    56.10094
   65    64 S   HC   _H5_    58     1.10307   108.43519    55.78383
   66    63 S   CT   _C4_    96     1.55117   109.23233   -69.50617
   67    66 S   HC   _H12    97     1.09444   112.51208  -177.24068
   68    66 S   HC   _H13    98     1.09305   112.80232    61.79880
   69    66 S   HC   _H14    99     1.09634   110.60209   -57.63486
   70    64 S   CT   _C11    59     1.52492   103.43246   167.91042
   71    70 S   HC   _H19    60     1.09478   111.98532  -154.91303
   72    70 S   HC   _H20    61     1.09565   111.57657    84.39280
   73    51 S   CT   _C9_    88     1.56590   111.52085   -56.86751
   74    73 S   HC   _H4_    89     1.09437   109.44281   -66.08507
   75    70 S   CT   _C12    62     1.53983   103.97302   -34.59370
   76    75 S   HC   _H21    63     1.09574   110.49594   129.50683
   77    75 S   HC   _H22    64     1.09580   110.59400  -112.10209
   78    73 S   CT   _C20    90     1.53664   112.52283    52.10717
   79    78 S   HC   _H26    91     1.09708   109.42750  -170.26015
   80    78 S   HC   _H27    92     1.09618   109.96199    73.95471
   81    63 S   CT   _C13    65     1.54596   114.61632   166.08176
   82    81 S   HC   _H6_    66     1.09888   109.30966   -41.04083
   83    81 S   OS   _O33    67     1.42094   111.47990    80.42600
   84    83 S   CO   _C14    68     1.43394   113.98112  -165.34594
   85    84 S   HC   _H7_    69     1.09826   108.50470    49.82869
   86    84 S   CT   _C15    70     1.53398   107.18957   168.60784
   87    86 S   HC   _H8_    71     1.09679   110.03220    53.65391
   88    86 S   CT   _C16    72     1.53071   111.16124   175.66944
   89    88 S   HC   _H9_    73     1.09680   110.14497    73.54686
   90    86 S   OH   _O39    86     1.43017   109.96411   -63.11918
   91    90 S   HO   _H25    87     0.97218   108.11259   -60.69331
   92    88 S   CT   _C17    74     1.53289   111.60983   -49.17740
   93    92 S   HC   _H10    75     1.09631   108.92581   -73.77313
   94    88 S   OH   _O38    84     1.43012   109.53497  -170.78915
   95    94 S   HO   _H24    85     0.97249   107.97403    62.57867
   96    92 S   CT   _C18    76     1.52824   110.55802    48.87907
   97    96 S   HC   _H11    77     1.09854   110.65350    66.45705
   98    92 S   OH   _O37    82     1.42830   108.99166   169.88024
   99    98 S   HO   _H23    83     0.97226   108.19346   -63.46875
  100    84 S   OS   _O34    78     1.42576   111.34939   -71.59471
  101    96 S   CO3  _C19    79     1.53889   111.88653  -172.68997
  102   101 S   O2Z  _O36    80     1.26314   116.22632    45.99638
  103   101 S   O2Z  _O35    81     1.26536   114.45986  -134.67001
  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
  23   2   1   1  14   5  13   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  19  19
   9   9   3   2   1  11   6   5   6   3   6   4   3   2   1   1
   6   2   8  13   6  12   7  13   7   4   1  11   7   3   1   7
   5   3   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    78    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    73    78    79    80    39    40    41    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    78    39    40    41    53  
   42    43    44    50    39  
   40    41    53    42    47    50    51    64    73    74    78    79    80  
   41    50    73    78    79    80  
   50    73    78    79    80  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    73    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    80    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    81    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    81    82    83    73    66    67    68    69  
   62    63    64    81    66  
   63    64    81    66  
   64    65    70    71    72    75    76    77    81    82    83    84    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    81    82    83    73    74    78    79    80    66    67    68    69  
   70    71    72    75    81    73    74    78    66  
   67    68    69    70    73    75    81    82    83  
   68    69    81  
   69    81  
   81  
   71    72    75    76    77    81    82    83    73    74    78  
   72    75    76    77    81    73  
   75    76    77    81    73  
   74    78    79    80    75    81  
   78    79    80  
   76    77    81    82    83    84  
   77    81    82    83  
   81    82    83  
   79    80  
   80  
    0  
   82    83    84    85    86   100  
   83    84  
   84    85    86    87    88    96   100    90  
   85    86    87    88    89    92    96    97   100   101    94    90    91  
   86    87    88    96   100    90  
   87    88    89    92    93    96   100    98    94    95    90    91  
   88    89    92   100    94    90    91  
   89    92    93    96    97   100   101    98    99    94    95    90    91  
   92    93    96    98    94    95    90  
   91    92    94   100  
    0  
   93    96    97   100   101   102   103    98    99    94    95  
   96    97   100   101    98    99    94  
   95    96    98  
    0  
   97   100   101   102   103    98    99  
  100   101   102   103    98  
   99   100   101  
    0  
  101   102   103  
  102   103  
  103  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   84   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   98   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   99   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  100   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  101   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    81   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   320.000  1.410
   83    84   320.000  1.380
   84    85   340.000  1.090
   84    86   250.000  1.527
   84   100   320.000  1.380
   86    87   340.000  1.090
   86    88   268.000  1.529
   86    90   320.000  1.410
   88    89   340.000  1.090
   88    92   268.000  1.529
   88    94   320.000  1.410
   92    93   340.000  1.090
   92    96   268.000  1.529
   92    98   320.000  1.410
   96    97   340.000  1.090
   96   100   320.000  1.410
   96   101   317.000  1.522
  101   102   656.000  1.250
  101   103   656.000  1.250
   98    99   553.000  0.945
   94    95   553.000  0.945
   90    91   553.000  0.945
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    81    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    81    75    58.35000  112.70000
   63    81    82    37.50000  110.70000
   63    81    83    50.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    50.00000  109.50000
   77    75    76    33.00000  107.80000
   81    63    64    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    83    84    60.00000  109.50000
   83    81    82    35.00000  109.50000
   83    84    85    35.00000  109.50000
   83    84    86    90.00000  108.56700
   83    84   100    92.60000  111.55000
   84    86    87    45.00000  108.72000
   84    86    88    75.00000  109.43000
   84    86    90    90.00000  111.58700
   84   100    96    60.00000  109.50000
   86    84    85    45.00000  112.01100
   86    88    89    37.50000  110.70000
   86    88    92    58.35000  112.70000
   86    88    94    50.00000  109.50000
   86    90    91    55.00000  108.50000
   88    86    87    37.50000  110.70000
   88    92    93    37.50000  110.70000
   88    92    96    58.35000  112.70000
   88    92    98    50.00000  109.50000
   88    94    95    55.00000  108.50000
   92    88    89    37.50000  110.70000
   92    96    97    37.50000  110.70000
   92    96   100    50.00000  109.50000
   92    96   101    70.00000  109.69300
   92    98    99    55.00000  108.50000
   96    92    93    37.50000  110.70000
   96   101   102    70.00000  117.00000
   96   101   103    70.00000  117.00000
  100    84    85    35.00000  109.50000
  100    84    86    90.00000  108.56700
  100    96    97    35.00000  109.50000
  101    96    97    35.00000  109.50000
  101    96   100    85.00000  109.63000
  103   101   102    80.00000  126.00000
   98    92    93    35.00000  109.50000
   98    92    96    50.00000  109.50000
   94    88    89    35.00000  109.50000
   94    88    92    50.00000  109.50000
   90    86    87    35.00000  109.50000
   90    86    88    50.00000  109.50000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    39    58.35000  112.70000
   78    73    74    37.50000  110.70000
   78    39    40    37.50000  110.70000
   78    39    41    37.50000  110.70000
   80    78    79    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   39    78    80    37.50000  110.70000
   41    39    40    33.00000  107.80000
   66    63    64    58.35000  112.70000
   66    63    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
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   96    92    98    99  -0.11600  1.0 1.0
   96    92    98    99  -0.09450 -1.0 2.0
   96    92    98    99   0.21250  1.0 3.0
   97    96   100    84   0.37050  1.0 3.0
   97    96   101   102   0.00000  1.0 1.0
   97    96   101   103   0.00000  1.0 1.0
  100    84    86    87   0.23400  1.0 3.0
  100    84   -86    88   0.62750  1.0 1.0
  100    84   -86    88  -0.30950 -1.0 2.0
  100    84   -86    88   0.27300  1.0 3.0
  100    84    86    90   3.69350  1.0 1.0
  100    84    86    90  -1.82950 -1.0 2.0
  100    96   101   102   0.30150 -1.0 2.0
  100    96   101   103   0.30150 -1.0 2.0
  101    96   100    84  -1.11000  1.0 1.0
  101    96   100    84   0.50250 -1.0 2.0
  101    96   100    84   0.47450  1.0 3.0
   98    92    96    97   0.23400  1.0 3.0
   98    92    96   100   3.69350  1.0 1.0
   98    92    96   100  -1.82950 -1.0 2.0
   98    92    96   101  -5.33000  1.0 1.0
   98    92    96   101  -0.54250 -1.0 2.0
   98    92    96   101  -0.07300  1.0 3.0
   94    88    92    93   0.23400  1.0 3.0
   94    88    92    96   0.86500  1.0 1.0
   94    88    92    96  -0.17500 -1.0 2.0
   94    88    92    96   0.20800  1.0 3.0
   94    88    92    98   3.75450  1.0 1.0
   90    86    88    89   0.23400  1.0 3.0
   90    86    88    92   0.86500  1.0 1.0
   90    86    88    92  -0.17500 -1.0 2.0
   90    86    88    92   0.20800  1.0 3.0
   90    86    88    94   3.75450  1.0 1.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.15000  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.15000  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   80    78    39    33   0.15000  1.0 3.0
   80    78    39    40   0.15000  1.0 3.0
   80    78    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    81    75   0.56750  1.0 1.0
   66    63    81    75  -0.07550 -1.0 2.0
   66    63    81    75   0.20000  1.0 3.0
   66    63    81    82   0.15000  1.0 3.0
   66    63    81    83   0.62750  1.0 1.0
   66    63    81    83  -0.30950 -1.0 2.0
   66    63    81    83   0.27300  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  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    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
  102    96   101   103  10.50000 -1.0 2.0
END
