* LIGAND DATABASE FILE (OPLS2005)
*
001     113   116    217    340     648
    1     0 S   NP   _N1_     1    28.98270    96.92956   -26.12801
    2     1 S   H    _HN1     2     1.02775   122.58900  -104.52072
    3     1 S   H    _H1_     3     1.02958    71.92020    -3.89119
    4     1 S   H    _H2_     4     1.02835    35.25115  -178.72804
    5     1 S   CT   _CA1     5     1.50154   121.26029    99.39838
    6     5 S   HC   _HA1     6     1.09577   105.17420    96.81468
    7     5 S   CO3  _C1_     7     1.53776   112.39270   -23.27049
    8     7 S   O2Z  _O11     8     1.26365   114.98895   -42.37674
    9     7 S   O2Z  _O12     9     1.26240   114.93418   136.59531
   10     5 S   CT   _CB1    10     1.53089   107.39940  -145.32470
   11    10 S   HC   HB11    11     1.09827   109.24216   -50.51352
   12    10 S   HC   HB12    12     1.09814   110.45127    66.02055
   13    10 S   CT   _CG1    13     1.53021   112.72089  -171.60469
   14    13 S   HC   HG11    14     1.09593   110.47988   -65.98077
   15    13 S   HC   HG12    15     1.09662   109.90881    53.22179
   16    13 S   C    _CD1    16     1.51853   112.31988   173.50810
   17    16 S   O    _OE1    17     1.22757   123.29423     1.06790
   18    16 S   N    _N2_    18     1.38571   111.73346  -178.76568
   19    18 S   H    _HN2    19     1.01558   119.05189     3.89481
   20    18 S   CT1  _CA2    20     1.45727   122.81755   177.50331
   21    20 S   HC   _HA2    21     1.09567   108.85556    23.94513
   22    20 S   C    _C2_    22     1.52913   107.12906   -92.64115
   23    22 S   O    _O2_    23     1.22969   123.05602   -28.00539
   24    20 S   CT   _CB2    32     1.53097   112.23783   147.65196
   25    24 S   HC   HB21    33     1.09655   109.95369    56.58761
   26    24 S   HC   HB22    34     1.09575   111.09763   174.05489
   27    22 S   N    _N3_    24     1.38531   112.52212   154.72909
   28    27 S   H    _HN3    25     1.01643   120.34780    -2.24803
   29    24 S   S    _SG2    35     1.82711   113.88501   -63.31360
   30    27 S   CT   _CA3    26     1.45353   122.46511   178.71032
   31    30 S   HC   HA31    27     1.09566   107.72486   -57.46866
   32    30 S   HC   HA32    28     1.09563   107.67951    58.85028
   33    29 S   CT   _C31    36     1.84554    99.61683   -66.06529
   34    33 S   HC   _H3_    37     1.08980   105.28507   -40.18320
   35    33 S   HC   _H4_    38     1.09789   106.55430    72.71055
   36    30 S   CO3  _C3_    29     1.52881   114.35385  -179.35532
   37    36 S   O2Z  _O31    30     1.26329   116.07730    -1.00522
   38    36 S   O2Z  _O32    31     1.26424   114.42808   178.97207
   39    33 S   CT   _C26    39     1.57646   116.20308  -163.92281
   40    39 S   OM   _O30    40     1.31776   105.20054   -69.56251
   41    39 S   CT   _C23    41     1.54032   113.66055    53.09382
   42    41 S   HC   _H62    42     1.09455   113.87893   -51.66270
   43    41 S   CT   _C15    43     1.53359   103.00230    68.11664
   44    43 S   HC   _H51    44     1.09573   111.27027   -84.47827
   45    43 S   HC   _H52    45     1.09527   111.47392   155.38074
   46    41 S   OS   _O38    61     1.44050   112.12757  -171.74189
   47    43 S   CT   _C22    46     1.54602   104.57214    35.28727
   48    47 S   HC   _H61    47     1.08945   106.27696   117.90505
   49    39 S   CT   _C25    48     1.59735   113.98480   164.08485
   50    47 S   OS   _O35    95     1.44003   109.57070  -125.47792
   51    49 S   CT   _C24    49     1.63278   113.25152   175.18045
   52    49 S   CT   _C29   110     1.54170   111.68836    47.25705
   53    52 S   HC   _H69   111     1.09385   111.60952    69.56471
   54    52 S   HC   _H70   112     1.09411   112.37817   -50.33816
   55    52 S   HC   _H71   113     1.09145   112.14665  -168.88435
   56    51 S   CT   _C13    50     1.56661   114.00881   -67.73126
   57    56 S   HC   _H47    51     1.08936   111.69168    58.02070
   58    56 S   HC   _H48    52     1.09552   111.38785   -60.38873
   59    51 S   CT   _C17    66     1.58228   111.88460   171.84019
   60    59 S   HC   _H55    67     1.09576   110.98713  -169.07751
   61    59 S   HC   _H56    68     1.09092   112.54590   -50.74104
   62    56 S   CT   _C12    53     1.53578   113.62346   176.28712
   63    62 S   HC   _H45    54     1.09736   107.94556  -166.37655
   64    62 S   HC   _H46    55     1.09614   110.54667    77.65185
   65    59 S   OS   _O36    69     1.43824   111.02142    71.28507
   66    62 S   CM   _C9_    56     1.50543   112.87623   -45.24527
   67    65 S   CO4  _C11    70     1.36600   116.89303  -175.14118
   68    67 S   O    _O34    71     1.22294   125.59661    -1.96413
   69    66 S   CM   _C8_    57     1.34402   121.96730    15.28095
   70    69 S   HC   _H44    58     1.08776   119.34033  -178.78614
   71    66 S   CT   _C27    62     1.50015   116.10214  -164.64657
   72    71 S   HC   _H63    63     1.09482   110.21432   -59.00195
   73    71 S   HC   _H64    64     1.09505   112.18745  -179.02081
   74    71 S   HC   _H65    65     1.09477   110.32793    60.85661
   75    67 S   CT   _C20    72     1.52192   108.99016   179.00299
   76    75 S   HC   _H59    73     1.09602   108.63654   -47.80397
   77    51 S   CT   _C18    59     1.56627   107.95053    53.06129
   78    77 S   HC   _H57    60     1.09726   109.08154    80.90715
   79    75 S   CT   _C21    74     1.54685   115.04744  -171.22002
   80    79 S   HC   _H60    75     1.09778   109.36366   -38.06053
   81    75 S   OH   _O39   108     1.42824   104.11654    67.02775
   82    81 S   HO   _H78   109     0.97300   107.90308    67.27073
   83    79 S   CT   _C14    76     1.54572   113.15242    82.95317
   84    83 S   HC   _H49    77     1.09878   109.07635   170.94570
   85    83 S   HC   _H50    78     1.09811   110.14043    56.18253
   86    79 S   CT   _C28   104     1.53881   111.12223  -155.41830
   87    86 S   HC   _H66   105     1.09536   111.10103   -57.72535
   88    86 S   HC   _H67   106     1.09556   110.91588  -177.87606
   89    86 S   HC   _H68   107     1.09470   111.47792    63.20522
   90    83 S   CT   _C16    79     1.52522   115.38670   -67.81491
   91    90 S   HC   _H53    80     1.09365   109.03743   -52.10532
   92    90 S   HC   _H54    81     1.09235   110.55668    68.75754
   93    90 S   OS   _O37    82     1.43103   107.70764  -170.96338
   94    93 S   CT   _C19    83     1.44091   116.43856  -173.41578
   95    94 S   HC   _H58    84     1.09813   104.35077  -166.90194
   96    94 S   CM   _C7_    85     1.51393   111.27755    78.97712
   97    96 S   HC   _H43    86     1.08704   116.71135  -158.41341
   98    94 S   CT   _C32    96     1.54963   112.70997   -51.43624
   99    98 S   HC   _H77    97     1.09561   110.84484    64.49233
  100    96 S   CM   _C6_    87     1.34331   125.71215    22.15514
  101   100 S   HC   _H42    88     1.08621   120.66574     3.59254
  102    98 S   CT   _C30    98     1.52712   113.86780  -172.06575
  103   102 S   HC   _H72    99     1.09553   110.86046    54.38607
  104   102 S   HC   _H73   100     1.09279   112.28073   -67.57673
  105   102 S   HC   _H74   101     1.09586   110.40029   172.18028
  106    98 S   OH   _O40   102     1.43239   107.99451   -53.06614
  107   106 S   HO   _H79   103     0.97242   107.54423   174.76898
  108   100 S   CM   _C4_    89     1.44506   123.60803  -178.58819
  109   108 S   HC   _H40    90     1.08873   114.49947  -115.87042
  110   108 S   CM   _C5_    91     1.34193   127.65081    66.85438
  111   110 S   HC   _H41    92     1.08671   118.67628   178.61860
  112   110 S   CO4  _C10    93     1.48183   124.72843     2.33280
  113   112 S   O    _O33    94     1.21966   125.93828    -9.30588
  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   7   5   4   3
  12   5   4   2   1   1  19   8  14   7  11   6   5  10  14   5
  18   7  20   6   2   1   1  14   7   6  10   4   3  10   4   3
   7   8   9   4   7   3   4   2   1   1  13   6   1   1  14   9
   3   1  11   6   5   4   2   1   1   7   3   2   9  14   7  10
   4   8   6   6   3   5   3   2   1   1   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    49    51    46    52  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    47    48    49    51    56    77    46    59    50    52    53    54    55  
   41    42    43    47    49    51    46    52  
   42    43    44    45    47    48    49    51    69    77    78    46    50    52  
   43    44    45    47    49    77    46  
   44    45    47    48    49    51    77    46   112    50    52  
   45    47    48    49    46    50  
   47    48    49    46    50  
   59    47    49    51    56    66    69    70    77    78  
   48    49    51    56    77    59   110   112   113    50    52    53    54    55  
   49    51   112    50    52  
   51    56    57    58    62    69    77    78    59    60    61    65   112    50    52    53    54    55  
   52    51   108   110   111   112   113  
   56    57    58    62    63    64    66    69    70    77    78    59    60    61    65    67    52    53    54    55  
   53    54    55    56    59    77  
   54    55  
   55  
    0  
   57    58    62    63    64    66    69    77    78    71    59    60    61    65  
   58    62    63    64    66    77    59  
   62    63    64    66    77    59  
   60    61    65    67    68    75    62    69    77    78  
   61    65    67    77  
   65    67    77  
   63    64    66    69    70    77    71    72    73    74  
   64    66    69    71  
   66    69    71  
   67    68    75    76    79    81    77  
   69    70    77    78    71    72    73    74  
   68    75    76    79    80    83    86    81    82  
   75    76    79    81  
   70    77    78    71    72    73    74  
   77    78    71  
   72    73    74    77  
   73    74  
   74  
    0  
   76    79    80    83    84    85    90    86    87    88    89    81    82  
   79    80    83    86    81    82  
   78  
    0  
   80    83    84    85    90    91    92    93    86    87    88    89    81    82  
   83    84    85    90    86    87    88    89    81  
   82    83    86  
    0  
   84    85    90    91    92    93    94    86    87    88    89  
   85    90    91    92    93    86  
   90    91    92    93    86  
   87    88    89    90  
   88    89  
   89  
    0  
   91    92    93    94    95    96    98  
   92    93    94  
   93    94  
   94    95    96    97   100    98    99   102   106  
   95    96    97   100   101   108    98    99   102   103   104   105   106   107  
   96    97   100    98    99   102   106  
   97   100   101   108   109   110    98    99   102   106  
  100   101   108    98  
   99   102   103   104   105   106   107   100  
  102   103   104   105   106   107  
  101   108   109   110   111   112  
  108   109   110  
  103   104   105   106   107  
  104   105   106  
  105   106  
  106  
  107  
    0  
  109   110   111   112   113  
  110   111   112  
  111   112   113  
  112   113  
  113  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   94   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   97   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  108   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  109   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  111   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  112   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.430000   1.6780   1.4800   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   570.000  1.307
   39    41   268.000  1.529
   39    49   268.000  1.529
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    47   268.000  1.529
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    50   320.000  1.410
   49    51   268.000  1.529
   49    52   268.000  1.529
   51    56   268.000  1.529
   51    77   268.000  1.529
   51    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    69   549.000  1.340
   66    71   317.000  1.510
   69    70   340.000  1.080
   69    77   317.000  1.510
   77    78   340.000  1.090
   77    46   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    65   320.000  1.410
   65    67   214.000  1.327
   67    68   570.000  1.229
   67    75   317.000  1.522
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    81   320.000  1.410
   79    80   340.000  1.090
   79    83   268.000  1.529
   79    86   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   320.000  1.410
   93    94   320.000  1.410
   94    95   340.000  1.090
   94    96   317.000  1.510
   94    98   268.000  1.529
   96    97   340.000  1.080
   96   100   549.000  1.340
  100   101   340.000  1.080
  100   108   380.000  1.444
  108   109   340.000  1.080
  108   110   549.000  1.340
  110   111   340.000  1.080
  110   112   320.000  1.462
  112   113   570.000  1.229
  112    50   214.000  1.327
   98    99   340.000  1.090
   98   102   268.000  1.529
   98   106   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   340.000  1.090
  106   107   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   81    82   553.000  0.945
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    50.00000  109.50000
   33    39    41    58.35000  112.70000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    46    50.00000  109.50000
   39    49    47    58.35000  112.70000
   39    49    51    58.35000  112.70000
   39    49    52    58.35000  112.70000
   41    39    40    50.00000  109.50000
   41    43    44    37.50000  110.70000
   41    43    45    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    46    77    60.00000  109.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    49    58.35000  112.70000
   43    47    50    50.00000  109.50000
   45    43    44    33.00000  107.80000
   47    43    44    37.50000  110.70000
   47    43    45    37.50000  110.70000
   47    49    51    58.35000  112.70000
   47    49    52    58.35000  112.70000
   47    50   112    83.00000  116.90000
   49    39    40    50.00000  109.50000
   49    39    41    58.35000  112.70000
   49    47    48    37.50000  110.70000
   49    51    56    58.35000  112.70000
   49    51    77    58.35000  112.70000
   49    51    59    58.35000  112.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   51    77    69    70.00000  112.02700
   51    77    78    37.50000  110.70000
   51    77    46    50.00000  109.50000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    65    50.00000  109.50000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    66    70.00000  112.02700
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    66    69    70.00000  124.00000
   62    66    71    65.00000  117.92700
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    69    70    35.00000  120.00000
   66    69    77    70.00000  124.00000
   66    71    72    35.00000  109.50000
   66    71    73    35.00000  109.50000
   66    71    74    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    46    85.00000  110.90400
   77    51    56    58.35000  112.70000
   77    69    70    35.00000  117.00000
   46    41    42    35.00000  109.50000
   46    41    43    50.00000  109.50000
   46    77    78    35.00000  109.50000
   71    66    69    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   59    51    56    58.35000  112.70000
   59    51    77    58.35000  112.70000
   59    65    67    83.00000  116.90000
   61    59    60    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    61    35.00000  109.50000
   65    67    68    83.00000  123.40000
   65    67    75    81.00000  111.40000
   67    75    76    35.00000  109.50000
   67    75    79    63.00000  111.10000
   67    75    81    90.00000  109.61100
   75    67    68    80.00000  120.40000
   75    79    80    37.50000  110.70000
   75    79    83    58.35000  112.70000
   75    79    86    58.35000  112.70000
   75    81    82    55.00000  108.50000
   79    75    76    37.50000  110.70000
   79    83    84    37.50000  110.70000
   79    83    85    37.50000  110.70000
   79    83    90    58.35000  112.70000
   79    86    87    37.50000  110.70000
   79    86    88    37.50000  110.70000
   79    86    89    37.50000  110.70000
   83    79    80    37.50000  110.70000
   83    90    91    37.50000  110.70000
   83    90    92    37.50000  110.70000
   83    90    93    50.00000  109.50000
   85    83    84    33.00000  107.80000
   90    83    84    37.50000  110.70000
   90    83    85    37.50000  110.70000
   90    93    94    60.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    35.00000  109.50000
   93    90    92    35.00000  109.50000
   93    94    95    35.00000  109.50000
   93    94    96    85.00000  110.90400
   93    94    98    50.00000  109.50000
   94    96    97    35.00000  117.00000
   94    96   100    70.00000  124.00000
   94    98    99    37.50000  110.70000
   94    98   102    58.35000  112.70000
   94    98   106    50.00000  109.50000
   96    94    95    35.00000  109.50000
   96   100   101    35.00000  120.00000
   96   100   108    70.00000  123.01800
  100    96    97    35.00000  120.00000
  100   108   109    35.00000  120.00000
  100   108   110    70.00000  123.01800
  108   100   101    35.00000  120.00000
  108   110   111    35.00000  120.00000
  108   110   112    65.00000  118.96000
  110   108   109    35.00000  120.00000
  110   112   113    80.00000  123.72100
  110   112    50    90.00000  111.29400
  112   110   111    40.00000  117.72500
   50    47    48    35.00000  109.50000
   50    47    49    50.00000  109.50000
   50   112   113    83.00000  123.40000
   98    94    95    37.50000  110.70000
   98    94    96    70.00000  112.02700
   98   102   103    37.50000  110.70000
   98   102   104    37.50000  110.70000
   98   102   105    37.50000  110.70000
   98   106   107    55.00000  108.50000
  102    98    99    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105   102   103    33.00000  107.80000
  105   102   104    33.00000  107.80000
  106    98    99    35.00000  109.50000
  106    98   102    50.00000  109.50000
   86    79    80    37.50000  110.70000
   86    79    83    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   81    75    76    35.00000  109.50000
   81    75    79    50.00000  109.50000
   52    49    51    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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
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   79    83    90    93   0.27300  1.0 3.0
   80    79    83    84   0.15000  1.0 3.0
   80    79    83    85   0.15000  1.0 3.0
   80    79    83    90   0.15000  1.0 3.0
   80    79    86    87   0.15000  1.0 3.0
   80    79    86    88   0.15000  1.0 3.0
   80    79    86    89   0.15000  1.0 3.0
   83    79    86    87   0.15000  1.0 3.0
   83    79    86    88   0.15000  1.0 3.0
   83    79    86    89   0.15000  1.0 3.0
   83    90    93    94   0.06250  1.0 1.0
   83    90    93    94  -0.01100 -1.0 2.0
   83    90    93    94   0.28050  1.0 3.0
   84    83    90    91   0.15000  1.0 3.0
   84    83    90    92   0.15000  1.0 3.0
   84    83    90    93   0.23400  1.0 3.0
   85    83    90    91   0.15000  1.0 3.0
   85    83    90    92   0.15000  1.0 3.0
   85    83    90    93   0.23400  1.0 3.0
   90    93    94    95   0.37050  1.0 3.0
   90    93    94    96  -0.77900  1.0 1.0
   90    93    94    96  -0.36900 -1.0 2.0
   90    93    94    96   0.40400  1.0 3.0
   90    93    94    98   0.06250  1.0 1.0
   90    93    94    98  -0.01100 -1.0 2.0
   90    93    94    98   0.28050  1.0 3.0
   91    90    93    94   0.37050  1.0 3.0
   92    90    93    94   0.37050  1.0 3.0
   93    94    96    97   0.00000  1.0 1.0
   93    94    96   100   0.39000  1.0 1.0
   93    94    96   100  -0.05800 -1.0 2.0
   93    94    96   100  -0.55150  1.0 3.0
   93    94    98    99   0.23400  1.0 3.0
   93    94    98   102   0.62750  1.0 1.0
   93    94    98   102  -0.30950 -1.0 2.0
   93    94    98   102   0.27300  1.0 3.0
   93    94    98   106   3.69350  1.0 1.0
   93    94    98   106  -1.82950 -1.0 2.0
   94    96   100   101   7.00000 -1.0 2.0
   94    96   100   108   7.00000 -1.0 2.0
   94    98   102   103   0.15000  1.0 3.0
   94    98   102   104   0.15000  1.0 3.0
   94    98   102   105   0.15000  1.0 3.0
   94    98   106   107  -0.11600  1.0 1.0
   94    98   106   107  -0.09450 -1.0 2.0
   94    98   106   107   0.21250  1.0 3.0
   95    94    96    97   0.33100  1.0 3.0
   95    94    96   100   0.00000  1.0 1.0
   95    94    98    99   0.15000  1.0 3.0
   95    94    98   102   0.15000  1.0 3.0
   95    94    98   106   0.23400  1.0 3.0
   96    94    98    99   0.15000  1.0 3.0
   96    94    98   102   0.34400  1.0 1.0
   96    94    98   102   0.09450 -1.0 2.0
   96    94    98   102   0.11100  1.0 3.0
   96    94    98   106   1.05650  1.0 1.0
   96    94    98   106   0.15600 -1.0 2.0
   96    94    98   106   0.53150  1.0 3.0
   96   100   108   109  -0.18600  1.0 3.0
   96   100   108   110   0.28850  1.0 1.0
   96   100   108   110   2.61350 -1.0 2.0
   96   100   108   110   0.78400  1.0 3.0
   97    96   100   101   7.00000 -1.0 2.0
   97    96   100   108   7.00000 -1.0 2.0
  100   108   110   111   7.00000 -1.0 2.0
  100   108   110   112   7.00000 -1.0 2.0
  101   100   108   109   0.00000  1.0 1.0
  101   100   108   110  -0.18600  1.0 3.0
  108   110   112   113   1.00000 -1.0 2.0
  108   110   112    50  -0.56150  1.0 1.0
  108   110   112    50   2.19150 -1.0 2.0
  109   108   110   111   7.00000 -1.0 2.0
  109   108   110   112   7.00000 -1.0 2.0
  110   112    50    47   2.00000 -1.0 2.0
  111   110   112   113   0.00000  1.0 1.0
  111   110   112    50   1.63100 -1.0 2.0
  113   112    50    47   3.00000 -1.0 2.0
   50    47    49    39   0.62750  1.0 1.0
   50    47    49    39  -0.30950 -1.0 2.0
   50    47    49    39   0.27300  1.0 3.0
   50    47    49    51   0.62750  1.0 1.0
   50    47    49    51  -0.30950 -1.0 2.0
   50    47    49    51   0.27300  1.0 3.0
   50    47    49    52   0.62750  1.0 1.0
   50    47    49    52  -0.30950 -1.0 2.0
   50    47    49    52   0.27300  1.0 3.0
   98    94    96    97   0.00000  1.0 1.0
   98    94    96   100   0.09850  1.0 1.0
   98    94    96   100   0.15250 -1.0 2.0
   98    94    96   100  -0.50650  1.0 3.0
   99    98   102   103   0.15000  1.0 3.0
   99    98   102   104   0.15000  1.0 3.0
   99    98   102   105   0.15000  1.0 3.0
   99    98   106   107   0.19450  1.0 3.0
  102    98   106   107  -0.11600  1.0 1.0
  102    98   106   107  -0.09450 -1.0 2.0
  102    98   106   107   0.21250  1.0 3.0
  106    98   102   103   0.23400  1.0 3.0
  106    98   102   104   0.23400  1.0 3.0
  106    98   102   105   0.23400  1.0 3.0
   86    79    83    84   0.15000  1.0 3.0
   86    79    83    85   0.15000  1.0 3.0
   86    79    83    90   0.56750  1.0 1.0
   86    79    83    90  -0.07550 -1.0 2.0
   86    79    83    90   0.20000  1.0 3.0
   81    75    79    80   0.23400  1.0 3.0
   81    75    79    83   0.86500  1.0 1.0
   81    75    79    83  -0.17500 -1.0 2.0
   81    75    79    83   0.20800  1.0 3.0
   81    75    79    86   0.86500  1.0 1.0
   81    75    79    86  -0.17500 -1.0 2.0
   81    75    79    86   0.20800  1.0 3.0
   52    49    51    56   0.56750  1.0 1.0
   52    49    51    56  -0.07550 -1.0 2.0
   52    49    51    56   0.20000  1.0 3.0
   52    49    51    77   0.56750  1.0 1.0
   52    49    51    77  -0.07550 -1.0 2.0
   52    49    51    77   0.20000  1.0 3.0
   52    49    51    59   0.56750  1.0 1.0
   52    49    51    59  -0.07550 -1.0 2.0
   52    49    51    59   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   62    71    66    69   1.10000 -1.0 2.0
   77    70    69    66   1.10000 -1.0 2.0
   65    75    67    68  10.50000 -1.0 2.0
   94    97    96   100   1.10000 -1.0 2.0
  108   101   100    96   1.10000 -1.0 2.0
  100   109   108   110   1.10000 -1.0 2.0
  112   111   110   108   1.10000 -1.0 2.0
  110    50   112   113  10.50000 -1.0 2.0
END
