* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    211    339     632
    1     0 S   NP   _N1_     1    28.71455    92.58238   -23.05430
    2     1 S   H    _HN1     2     1.02948    94.96207     9.54621
    3     1 S   H    _H1_     3     1.02813    16.85888   146.97915
    4     1 S   H    _H2_     4     1.02810   101.79557  -100.29015
    5     1 S   CT   _CA1     5     1.50206   127.08062   129.91382
    6     5 S   HC   _HA1     6     1.09559   105.13651    64.46692
    7     5 S   CO3  _C1_     7     1.53804   112.40435   -55.76395
    8     7 S   O2Z  _O11     8     1.26396   115.11496   -40.83718
    9     7 S   O2Z  _O12     9     1.26237   115.20658   137.77746
   10     5 S   CT   _CB1    10     1.53065   107.31477  -177.43143
   11    10 S   HC   HB11    11     1.09836   109.60349   -46.16841
   12    10 S   HC   HB12    12     1.09813   110.35098    70.50674
   13    10 S   CT   _CG1    13     1.52986   112.63919  -166.99218
   14    13 S   HC   HG11    14     1.09581   110.65144   -64.05418
   15    13 S   HC   HG12    15     1.09655   109.81074    55.20432
   16    13 S   C    _CD1    16     1.51868   112.03620   175.81788
   17    16 S   O    _OE1    17     1.22749   123.19971     9.66963
   18    16 S   N    _N2_    18     1.38601   111.79844  -171.30742
   19    18 S   H    _HN2    19     1.01589   119.02746     2.69195
   20    18 S   CT1  _CA2    20     1.46395   123.40954  -178.67559
   21    20 S   HC   _HA2    21     1.09734   109.38734    -5.73145
   22    20 S   C    _C2_    22     1.53376   108.81284  -121.46090
   23    22 S   O    _O2_    23     1.23042   122.23477  -150.01557
   24    20 S   CT   _CB2    32     1.53571   111.09675   116.17691
   25    24 S   HC   HB21    33     1.09416   108.63773    56.74596
   26    24 S   HC   HB22    34     1.09397   110.64055   175.63394
   27    22 S   N    _N3_    24     1.38318   113.58659    37.49270
   28    27 S   H    _HN3    25     1.01630   119.48162    -3.60967
   29    24 S   S    _SG2    35     1.82823   110.45390   -64.34494
   30    27 S   CT   _CA3    26     1.45285   123.18855   177.02027
   31    30 S   HC   HA31    27     1.09550   107.49830   -64.61961
   32    30 S   HC   HA32    28     1.09557   107.98905    51.80589
   33    29 S   CT   _C25    36     1.87907   102.50180   166.41151
   34    30 S   CO3  _C3_    29     1.52951   114.10144   173.79370
   35    34 S   O2Z  _O31    30     1.26376   116.05247    -1.31224
   36    34 S   O2Z  _O32    31     1.26430   114.41556   178.76441
   37    33 S   CT   _C15    37     1.55973   108.56536  -143.75153
   38    37 S   HC   _H3_    38     1.10058   107.83311   173.46046
   39    33 S   CT   _C24    93     1.56883   110.78476    95.36154
   40    33 S   OH   _O37   111     1.42946   109.64171   -24.24789
   41    40 S   HO   _H23   112     0.97329   107.52069   -64.26630
   42    37 S   CO4  _C14    39     1.53382   112.73934    59.04372
   43    42 S   O    _O35    40     1.23039   121.15935    35.11769
   44    39 S   OH   _O38    94     1.43693   108.96750   -56.91053
   45    44 S   HO   _H24    95     0.97535   106.90598   -50.33888
   46    42 S   CA   _C12    41     1.49426   119.54550  -147.79754
   47    46 S   CA   _C11    42     1.40930   119.64620    -8.59151
   48    47 S   CA   _C10    43     1.41829   119.76895  -177.01561
   49    47 S   CT   _C17    76     1.51361   119.93119     3.19635
   50    49 S   HC   _H19    77     1.09626   110.41800   151.44088
   51    49 S   HC   _H20    78     1.09682   108.97982   -90.36424
   52    48 S   CA   _C9_    44     1.41083   118.88334    -2.52460
   53    52 S   HA   _H17    45     1.08406   117.85310   179.80218
   54    48 S   NE   _N8_    67     1.40372   120.64480   176.79759
   55    37 S   CT   _C16    79     1.53608   112.08401   -66.48874
   56    55 S   HC   _H4_    80     1.09878   110.06812    64.52618
   57    52 S   CA   _C8_    46     1.39562   121.72303     0.56267
   58    54 S   CT   _C29    68     1.45857   114.98123   -80.76541
   59    58 S   HC   _H34    69     1.09539   110.26026   168.73089
   60    58 S   HC   _H35    70     1.09475   112.15185    49.42342
   61    58 S   HC   _H36    71     1.09585   110.67276   -71.77129
   62    54 S   CT   _C30    72     1.45704   118.05882   134.70552
   63    62 S   HC   _H37    73     1.09548   109.95242  -162.81796
   64    62 S   HC   _H38    74     1.09523   111.57072    77.68152
   65    62 S   HC   _H39    75     1.09579   111.18312   -44.34556
   66    55 S   CT   _C18    81     1.53218   111.64533   -55.03709
   67    66 S   HC   _H21    82     1.09777   109.16908   175.10743
   68    66 S   HC   _H22    83     1.09596   108.64664   -69.68979
   69    46 S   CA   _C13    47     1.40612   120.65097   171.65762
   70    57 S   N    _N5_    50     1.41745   123.91041  -179.10147
   71    70 S   H    _H16    51     1.01977   114.09748   177.62323
   72    66 S   CT   _C19    84     1.54905   112.59853    54.06009
   73    72 S   HC   _H5_    85     1.09402   106.05902    64.69722
   74    69 S   OH   _O34    48     1.37456   122.51311    -1.32943
   75    74 S   HO   _H18    49     0.97304   109.27614     2.33657
   76    70 S   C    _C7_    52     1.38674   127.95410    -1.48200
   77    76 S   O    _O33    53     1.22826   127.53152    -1.11434
   78    72 S   CT   _C20    86     1.55716   110.99058  -178.73933
   79    78 S   HC   _H6_    87     1.10118   107.33813   -54.35419
   80    76 S   CT1  _C6_    54     1.51788   111.76917  -179.50623
   81    80 S   HC   _H14    55     1.09541   107.67020    89.09648
   82    80 S   HC   _H15    56     1.09301   112.70411   -31.92373
   83    78 S   CMA  _C21    88     1.54151   110.08368    66.10744
   84    83 S   OM   _O40    89     1.26645   110.17165  -143.44565
   85    78 S   NP   _N7_   101     1.55972   109.47337  -167.17528
   86    85 S   H    _H27   102     1.03017   106.23766   -45.81241
   87    80 S   NP   _N4_    57     1.51778   111.77593  -153.14484
   88    87 S   H    _H10    58     1.02990   106.60637   -45.06577
   89    83 S   CM   _C22    90     1.35809   119.36554    33.21431
   90    85 S   CT   _C27   103     1.51050   112.98386    71.05173
   91    90 S   HC   _H28   104     1.09299   108.54561    59.18503
   92    90 S   HC   _H29   105     1.09370   108.23681   179.47773
   93    90 S   HC   _H30   106     1.09034   109.21320   -62.45730
   94    85 S   CT   _C28   107     1.50895   114.80487  -162.57499
   95    94 S   HC   _H31   108     1.09284   108.73601   -59.39465
   96    94 S   HC   _H32   109     1.09220   108.77367    63.18684
   97    94 S   HC   _H33   110     1.09398   108.10696  -179.37568
   98    87 S   CT   _C4_    59     1.50482   112.57802    71.91276
   99    98 S   HC   _H7_    60     1.09309   108.57669    64.22098
  100    98 S   HC   _H8_    61     1.09328   107.90926  -175.62556
  101    98 S   HC   _H9_    62     1.09235   108.64161   -56.81234
  102    87 S   CT   _C5_    63     1.50230   111.79569  -161.70584
  103   102 S   HC   _H11    64     1.09328   108.59674   -62.23098
  104   102 S   HC   _H12    65     1.09314   108.11360    58.36058
  105   102 S   HC   _H13    66     1.09318   108.12682   177.16131
  106    89 S   CO4  _C23    91     1.50380   122.39756    -1.79961
  107   106 S   O    _O36    92     1.23265   118.22276   170.81556
  108    89 S   C    _C26    96     1.50379   119.92120  -177.64615
  109   108 S   O    _O39    97     1.22784   121.34735   129.98103
  110   108 S   N    _N6_    98     1.37240   114.95584   -52.69799
  111   110 S   H    _H25    99     1.01460   122.03534     4.54010
  112   110 S   H    _H26   100     1.01320   120.56904  -179.09734
  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  11   5   4   3
  20   2   1   1  20   9  19   6   1  11   4   8   2  13  15  18
  11   4   3  10   4   9   7   4   8   7   3   2   1   3   2   1
   1   9   4   3   5   8   3  12   5   1   1   8   4  16   7  12
   5   4  11   4  10   8   9   8   7   7   3   2   1   3   2   1
   1   7   3   2   1   3   2   1   1   4   1   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    55    72   106    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    49    55    56    66    72    73    78    89   106   107    39    44    45    40    41  
   35    36  
   36  
    0  
   38    42    43    46    47    69    49    50    51    55    56    66    67    68    72   106    39    44    40    41  
   42    43    46    49    55    56    66    39    40  
   44    45   108    85    40    41    42    55    66    67    68    72    73    78    79    83    89   106   107  
   41    42    44    55    72   106  
    0  
   43    46    47    48    57    69    74    49    55    56    66  
   46    47    69    55  
   45    66    72    73    78    89   106   107  
   72   106  
   47    48    52    57    69    74    75    70    54    49    50    51    55  
   48    52    53    57    69    74    54    58    62    49    50    51    55    56    66  
   52    53    57    69    70    54    58    59    60    61    62    63    64    65    49    50    51    55  
   50    51    55    56    66    67    68    72    52    54    69  
   51    55    56    66  
   55    56    66  
   53    57    69    74    70    71    76    54    58    62  
   57    69    70    54  
   58    59    60    61    62    63    64    65    57  
   56    66    67    68    72    73    78  
   66    67    68    72  
   69    74    75    70    71    76    77    80  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65  
   64    65  
   65  
    0  
   67    68    72    73    78    79    83   106    85  
   68    72    73    78  
   72    73    78  
   74    75    70    71    76  
   71    76    77    80    81    82    87    74  
   76    77    80  
   73    78    79    83    84    89   106   107    85    86    90    94  
   78    79    83   106    85  
   75  
    0  
   77    80    81    82    87    88    98   102  
   80    81    82    87  
   79    83    84    89   106   108    85    86    90    91    92    93    94    95    96    97  
   83    84    89    85    86    90    94  
   81    82    87    88    98    99   100   101   102   103   104   105  
   82    87    88    98   102  
   87    88    98   102  
   84    89   106   107   108   109   110    85    86    90    94  
   89   106   108    85  
   86    90    91    92    93    94    95    96    97    89  
   90    91    92    93    94    95    96    97  
   88    98    99   100   101   102   103   104   105  
   98    99   100   101   102   103   104   105  
  106   107   108   109   110   111   112  
   91    92    93    94    95    96    97  
   92    93    94  
   93    94  
   94  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104   105  
  100   101   102  
  101   102  
  102  
  103   104   105  
  104   105  
  105  
    0  
  107   108   109   110  
  108  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    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   0.432500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.210000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   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   1.6450   1.4500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   70   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   71   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   78   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   80   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   84   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   85   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   86   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   88   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   94   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  106   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  108   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  109   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
  110   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
  111   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
  112   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   33    40   320.000  1.410
   37    38   340.000  1.090
   37    42   317.000  1.522
   37    55   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    47   469.000  1.400
   46    69   469.000  1.400
   47    48   469.000  1.400
   47    49   317.000  1.510
   48    52   469.000  1.400
   48    54   481.000  1.340
   52    53   367.000  1.080
   52    57   469.000  1.400
   57    69   469.000  1.400
   57    70   360.000  1.404
   69    74   450.000  1.364
   74    75   553.000  0.945
   70    71   434.000  1.010
   70    76   490.000  1.335
   76    77   570.000  1.229
   76    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   367.000  1.471
   87    88   434.000  1.010
   87    98   367.000  1.471
   87   102   367.000  1.471
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
   54    58   382.000  1.448
   54    62   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   268.000  1.529
   55    56   340.000  1.090
   55    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    78   268.000  1.529
   72    39   268.000  1.529
   78    79   340.000  1.090
   78    83   270.000  1.512
   78    85   367.000  1.471
   83    84   745.000  1.250
   83    89   465.000  1.376
   89   106   320.000  1.462
   89   108   410.000  1.444
  106   107   570.000  1.229
  106    39   317.000  1.522
   39    44   320.000  1.410
   44    45   553.000  0.945
  108   109   570.000  1.229
  108   110   490.000  1.335
  110   111   434.000  1.010
  110   112   434.000  1.010
   85    86   434.000  1.010
   85    90   367.000  1.471
   85    94   367.000  1.471
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   40    41   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    39    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    37    55    58.35000  112.70000
   33    39    72    58.35000  112.70000
   33    39   106    63.00000  111.10000
   33    39    44    50.00000  109.50000
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  120.40000
   37    42    46    65.00000  115.47100
   37    55    49    58.35000  112.70000
   37    55    56    37.50000  110.70000
   37    55    66    58.35000  112.70000
   42    37    38    35.00000  109.50000
   42    46    47    60.00000  119.52600
   42    46    69    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    47    48    63.00000  120.00000
   46    47    49    70.00000  120.00000
   46    69    57    63.00000  120.00000
   46    69    74    70.00000  120.00000
   47    48    52    63.00000  120.00000
   47    48    54    70.00000  120.10000
   47    49    50    35.00000  109.50000
   47    49    51    35.00000  109.50000
   47    49    55    70.00000  112.17500
   48    52    53    35.00000  120.00000
   48    52    57    63.00000  120.00000
   48    54    58    50.00000  120.00000
   48    54    62    50.00000  120.00000
   52    57    69    63.00000  120.00000
   52    57    70    70.00000  119.01900
   57    52    53    35.00000  120.00000
   57    69    74    70.00000  120.00000
   57    70    71    45.00000  118.23600
   57    70    76    65.00000  121.96500
   69    46    47    63.00000  120.00000
   69    74    75    35.00000  113.00000
   70    57    69    70.00000  119.01900
   70    76    77    80.00000  122.90000
   70    76    80    70.00000  116.60000
   76    70    71    35.00000  119.80000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    87    80.00000  111.20000
   80    76    77    80.00000  120.40000
   80    87    88    35.00000  109.50000
   80    87    98    75.00000  113.01200
   80    87   102    75.00000  113.01200
   82    80    81    33.00000  107.80000
   87    80    81    35.00000  109.50000
   87    80    82    35.00000  109.50000
   87    98    99    35.00000  109.50000
   87    98   100    35.00000  109.50000
   87    98   101    35.00000  109.50000
   87   102   103    35.00000  109.50000
   87   102   104    35.00000  109.50000
   87   102   105    35.00000  109.50000
   98    87    88    35.00000  109.50000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  102    87    88    35.00000  109.50000
  102    87    98    75.00000  113.01200
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
   54    48    52    70.00000  120.10000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    64    35.00000  109.50000
   54    62    65    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    54    58    50.00000  115.00000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   49    47    48    70.00000  120.00000
   49    55    56    37.50000  110.70000
   49    55    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   55    37    38    37.50000  110.70000
   55    37    42    63.00000  111.10000
   55    49    50    37.50000  110.70000
   55    49    51    37.50000  110.70000
   55    66    67    37.50000  110.70000
   55    66    68    37.50000  110.70000
   55    66    72    58.35000  112.70000
   66    55    56    37.50000  110.70000
   66    72    73    37.50000  110.70000
   66    72    78    58.35000  112.70000
   66    72    39    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    78    79    37.50000  110.70000
   72    78    83    70.00000  112.02700
   72    78    85    80.00000  111.20000
   72    39   106    63.00000  111.10000
   72    39    44    50.00000  109.50000
   78    72    73    37.50000  110.70000
   78    83    84    85.00000  112.85300
   78    83    89    65.00000  122.18000
   78    85    86    35.00000  109.50000
   78    85    90    75.00000  113.01200
   78    85    94    75.00000  113.01200
   83    78    79    45.00000  110.52000
   83    89   106    60.00000  125.92000
   83    89   108    60.00000  120.04000
   89    83    84    65.00000  137.10300
   89   106   107    80.00000  123.72100
   89   106    39    65.00000  118.62400
   89   108   109    80.00000  125.30000
   89   108   110    80.00000  111.56200
  106    39    44    90.00000  109.61100
   39    33    37    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    72    78    58.35000  112.70000
   39   106   107    80.00000  120.40000
   39    44    45    55.00000  108.50000
  108    89   106    55.00000  123.68000
  108   110   111    35.00000  119.80000
  108   110   112    35.00000  119.80000
  110   108   109    80.00000  122.90000
  112   110   111    35.00000  120.00000
   85    78    79    35.00000  109.50000
   85    78    83    75.00000  110.06800
   85    90    91    35.00000  109.50000
   85    90    92    35.00000  109.50000
   85    90    93    35.00000  109.50000
   85    94    95    35.00000  109.50000
   85    94    96    35.00000  109.50000
   85    94    97    35.00000  109.50000
   90    85    86    35.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    85    86    35.00000  109.50000
   94    85    90    75.00000  113.01200
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   40    33    37    50.00000  109.50000
   40    33    39    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
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   39    33   -37    55  -0.07550 -1.0 2.0
   39    33   -37    55   0.20000  1.0 3.0
   39    33    40    41  -0.11600  1.0 1.0
   39    33    40    41  -0.09450 -1.0 2.0
   39    33    40    41   0.21250  1.0 3.0
   39    72    78    79   0.15000  1.0 3.0
   39    72   -78    83   0.34400  1.0 1.0
   39    72   -78    83   0.09450 -1.0 2.0
   39    72   -78    83   0.11100  1.0 3.0
   39    72    78    85   1.36600  1.0 1.0
   39    72    78    85  -0.11450 -1.0 2.0
   39    72    78    85   0.24250  1.0 3.0
  108    89   106   107   2.50000 -1.0 2.0
  108    89   106    39   1.50000 -1.0 2.0
  109   108   110   111   2.45000 -1.0 2.0
  109   108   110   112   2.45000 -1.0 2.0
   85    78    83    84   0.09700  1.0 1.0
   85    78    83    84   0.15600 -1.0 2.0
   85    78    83    84  -0.50800  1.0 3.0
   85    78    83    89   0.80850  1.0 1.0
   85    78    83    89  -0.47300 -1.0 2.0
   85    78    83    89  -0.52300  1.0 3.0
   86    85    90    91   0.13050  1.0 3.0
   86    85    90    92   0.13050  1.0 3.0
   86    85    90    93   0.13050  1.0 3.0
   86    85    94    95   0.13050  1.0 3.0
   86    85    94    96   0.13050  1.0 3.0
   86    85    94    97   0.13050  1.0 3.0
   90    85    94    95   0.15000  1.0 3.0
   90    85    94    96   0.15000  1.0 3.0
   90    85    94    97   0.15000  1.0 3.0
   94    85    90    91   0.15000  1.0 3.0
   94    85    90    92   0.15000  1.0 3.0
   94    85    90    93   0.15000  1.0 3.0
   40    33    37    38   0.23400  1.0 3.0
   40    33    37    42  -0.09450  1.0 1.0
   40    33    37    42  -1.12950 -1.0 2.0
   40    33    37    42   0.54000  1.0 3.0
   40    33    37    55   0.86500  1.0 1.0
   40    33    37    55  -0.17500 -1.0 2.0
   40    33    37    55   0.20800  1.0 3.0
   40    33    39    72   0.86500  1.0 1.0
   40    33    39    72  -0.17500 -1.0 2.0
   40    33    39    72   0.20800  1.0 3.0
   40    33    39   106  -0.09450  1.0 1.0
   40    33    39   106  -1.12950 -1.0 2.0
   40    33    39   106   0.54000  1.0 3.0
   40    33    39    44   3.75450  1.0 1.0
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
   37    46    42    43  10.50000 -1.0 2.0
   47    69    46    42   4.00000 -1.0 2.0
   48    49    47    46   4.00000 -1.0 2.0
   52    54    48    47   4.00000 -1.0 2.0
   57    53    52    48   1.10000 -1.0 2.0
   69    70    57    52   4.00000 -1.0 2.0
   57    74    69    46   4.00000 -1.0 2.0
   71    76    70    57   1.00000 -1.0 2.0
   70    80    76    77  10.50000 -1.0 2.0
   62    48    54    58   1.00000 -1.0 2.0
   78    84    83    89   1.10000 -1.0 2.0
  106   108    89    83   1.10000 -1.0 2.0
   89    39   106   107  10.50000 -1.0 2.0
   89   110   108   109  10.50000 -1.0 2.0
  112   108   110   111   1.00000 -1.0 2.0
END
