* LIGAND DATABASE FILE (OPLS2005)
*
001     116   117    218    333     646
    1     0 S   NP   _N1_     1    29.96024    93.28870   -26.24626
    2     1 S   H    _HN1     2     1.02949    86.28607    12.74894
    3     1 S   H    _H1_     3     1.02828    22.71695  -143.78200
    4     1 S   H    _H2_     4     1.02785   124.68917   -97.07102
    5     1 S   CT   _CA1     5     1.50117   111.30658   123.20403
    6     5 S   HC   _HA1     6     1.09574   105.18944    83.57817
    7     5 S   CO3  _C1_     7     1.53784   112.46046   -36.63571
    8     7 S   O2Z  _O11     8     1.26371   115.00589   -42.54077
    9     7 S   O2Z  _O12     9     1.26241   114.94392   136.56855
   10     5 S   CT   _CB1    10     1.53079   107.41645  -158.45782
   11    10 S   HC   HB11    11     1.09833   109.34896   -49.83539
   12    10 S   HC   HB12    12     1.09813   110.45692    66.76682
   13    10 S   CT   _CG1    13     1.52991   112.61428  -170.82112
   14    13 S   HC   HG11    14     1.09583   110.62316   -65.93731
   15    13 S   HC   HG12    15     1.09671   109.78790    53.29109
   16    13 S   C    _CD1    16     1.51805   112.23090   173.72083
   17    16 S   O    _OE1    17     1.22730   123.29096     6.77477
   18    16 S   N    _N2_    18     1.38655   111.66500  -173.25549
   19    18 S   H    _HN2    19     1.01579   118.93553     1.65304
   20    18 S   CT1  _CA2    20     1.46205   123.39971   177.35758
   21    20 S   HC   _HA2    21     1.09740   109.37045     3.13138
   22    20 S   C    _C2_    22     1.53590   108.69997  -112.32732
   23    22 S   O    _O2_    23     1.23063   122.26182  -148.70190
   24    20 S   CT   _CB2    32     1.53481   111.52591   125.17679
   25    24 S   HC   HB21    33     1.09359   109.56153    56.33927
   26    24 S   HC   HB22    34     1.09436   109.58402   175.12179
   27    22 S   N    _N3_    24     1.38321   113.75212    38.79535
   28    27 S   H    _HN3    25     1.01579   119.58981    -3.35415
   29    24 S   S    _SG2    35     1.83147   111.03926   -65.51614
   30    27 S   CT   _CA3    26     1.45285   123.21892   177.11948
   31    30 S   HC   HA31    27     1.09549   107.51462   -64.51108
   32    30 S   HC   HA32    28     1.09557   107.98165    51.92917
   33    29 S   CT   _C26    36     1.87691   102.43364   171.82346
   34    30 S   CO3  _C3_    29     1.52960   114.07630   173.92514
   35    34 S   O2Z  _O31    30     1.26377   116.07040    -0.56752
   36    34 S   O2Z  _O32    31     1.26429   114.41184   179.48871
   37    33 S   CO4  _C25    37     1.53351   107.65351    48.02533
   38    37 S   O    _O34    38     1.22860   122.55159   -99.11725
   39    33 S   CT   _C17    51     1.56276   110.08266   166.68952
   40    33 S   CT   _C27   113     1.53887   107.56719   -71.80960
   41    40 S   HC   _H30   114     1.09570   111.88455   -62.78920
   42    40 S   HC   _H31   115     1.09581   111.17127   176.92999
   43    40 S   HC   _H32   116     1.09456   112.71347    58.89791
   44    37 S   CA   _C24    39     1.48753   118.11693    79.56597
   45    39 S   CT   _C16    52     1.56011   112.62641   174.76179
   46    45 S   HC   _H24    53     1.09218   110.49210    36.82594
   47    45 S   HC   _H25    54     1.09814   109.28144   -79.15996
   48    39 S   OH   _O35   111     1.43195   109.04626    56.16108
   49    48 S   HO   _H33   112     0.97290   108.02084  -171.51867
   50    44 S   CA   _C23    40     1.39971   119.45584  -169.39943
   51    50 S   HA   _H29    41     1.08710   121.14914    -0.41117
   52    45 S   CM   _C15    55     1.50867   113.89604   161.91243
   53    52 S   HC   _H23    56     1.08958   114.49026    66.51183
   54    50 S   CA   _C22    42     1.39620   120.05224   179.23921
   55    54 S   HA   _H28    43     1.08659   119.93742  -179.98022
   56    52 S   CM   _C14    57     1.34783   127.60578  -110.72650
   57    54 S   CA   _C21    44     1.39386   120.16391    -0.12195
   58    57 S   HA   _H27    45     1.08590   120.04964   179.87805
   59    56 S   CT   _C28    58     1.50554   125.56197    -2.95274
   60    59 S   HC   _H34    59     1.09460   110.51340   120.90242
   61    59 S   HC   _H35    60     1.09090   113.96127     0.35277
   62    59 S   HC   _H36    61     1.09522   109.84394  -119.85691
   63    56 S   CT   _C13    62     1.51569   119.87468   175.37996
   64    63 S   HC   _H21    63     1.09752   110.61716    28.75658
   65    63 S   HC   _H22    64     1.09707   109.38989   145.09295
   66    57 S   CA   _C20    46     1.39378   120.09105     0.13562
   67    66 S   HA   _H26    47     1.08705   119.01726   179.24075
   68    63 S   CT   _C12    65     1.53374   110.80307   -92.70657
   69    68 S   HC   _H19    66     1.09618   109.05323    67.36617
   70    68 S   HC   _H20    67     1.09506   109.52365   -49.21409
   71    44 S   CA   _C19    48     1.39739   120.98816    10.14416
   72    68 S   CT   _C11    68     1.53129   111.63763  -170.69097
   73    72 S   HC   _H17    69     1.09769   109.26299   -54.30453
   74    72 S   HC   _H18    70     1.09721   108.83118    60.68616
   75    71 S   CO4  _C18    49     1.47774   120.40353     2.66212
   76    75 S   O    _O33    50     1.22759   120.31392  -164.71179
   77    72 S   CT   _C9_    71     1.54433   114.83876  -177.02204
   78    77 S   HC   _H4_    72     1.09855   106.78005  -171.26999
   79    77 S   CT   _C10    73     1.53312   110.92254    72.72556
   80    79 S   HC   _H14    74     1.09458   111.78458   -67.32396
   81    79 S   HC   _H15    75     1.09545   110.56496   172.73510
   82    79 S   HC   _H16    76     1.09504   110.91985    53.50840
   83    77 S   CT   _C8_    77     1.54219   114.76771   -52.00315
   84    83 S   HC   _H12    78     1.09810   108.61848  -178.11841
   85    83 S   HC   _H13    79     1.09707   109.97279    66.29836
   86    83 S   CT   _C7_    80     1.53264   113.82855   -57.19357
   87    86 S   HC   _H10    81     1.09545   108.88433   -57.82445
   88    86 S   HC   _H11    82     1.09489   110.34259    59.96522
   89    86 S   CT   _C6_    83     1.53416   110.98068  -179.32681
   90    89 S   HC   _H8_    84     1.09722   109.38629    65.29424
   91    89 S   HC   _H9_    85     1.09576   107.82836   -50.48890
   92    89 S   CT   _C5_    86     1.54276   113.62473  -171.59833
   93    92 S   HC   _H3_    87     1.09804   108.36222    59.12476
   94    92 S   CT   _C4_    88     1.53318   111.74826   -59.31162
   95    94 S   HC   _H5_    89     1.09520   111.18984   -56.60078
   96    94 S   HC   _H6_    90     1.09414   111.42945    64.31294
   97    94 S   HC   _H7_    91     1.09548   110.86651  -176.74190
   98    92 S   CT   _C29    92     1.54497   112.04204   178.12216
   99    98 S   HC   _H37    93     1.09778   108.51170   176.69951
  100    98 S   HC   _H38    94     1.09753   109.78186    60.57444
  101    98 S   CT   _C30    95     1.53335   113.87358   -62.30533
  102   101 S   HC   _H39    96     1.09382   109.39583    67.84208
  103   101 S   HC   _H40    97     1.09634   109.65420   -50.03124
  104   101 S   CT   _C31    98     1.53297   111.20898  -171.20315
  105   104 S   HC   _H41    99     1.09747   109.48564   -60.41482
  106   104 S   HC   _H42   100     1.09769   108.52859    55.61318
  107   104 S   CT   _C32   101     1.54022   113.36694   176.56367
  108   107 S   HC   _H43   102     1.09730   108.78608   -53.63715
  109   107 S   CT   _C33   103     1.52944   112.41083    66.32503
  110   109 S   HC   _H44   104     1.09525   111.23932    57.05089
  111   109 S   HC   _H45   105     1.09546   110.70948   177.05516
  112   109 S   HC   _H46   106     1.09333   111.53003   -63.72692
  113   107 S   CT   _C34   107     1.53083   109.82360  -171.41039
  114   113 S   HC   _H47   108     1.09539   111.28797   -61.60961
  115   113 S   HC   _H48   109     1.09517   110.83489    58.66465
  116   113 S   HC   _H49   110     1.09522   110.83577   178.12018
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  15   5  17   7   2   1   1  10  12   6   5   5
   1   8   4  11   3   6   3  11   5   3   7   3   2   1   9   5
   4   4   2   9   5   4   2  12   5   4   1   1  12   8   7   3
   2   1   9   5   4   9   5   4  12   5   4  12   8   7   3   2
   1   9   5   4   9   5   4  12   5   4   9   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    75    39    45    48    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    50    71    75    76    39    45    46    47    52    48    49    40    41    42    43  
   35    36  
   36  
    0  
   38    44    50    51    54    66    71    75    39    45    48    40    41    42    43  
   44    50    71    39    40  
   45    46    47    52    53    56    48    49    40    41    42    43    44    66    71    75    76  
   41    42    43    44    45    48    75  
   42    43  
   43  
    0  
   50    51    54    55    57    66    67    71    75    76  
   46    47    52    53    56    59    63    48    49    71    75    76  
   47    52    53    56    48    75  
   52    53    56    48    75  
   49    52    71    75    76  
   75  
   51    54    55    57    58    66    71    75  
   54    55    57    71  
   53    56    59    60    61    62    63    64    65    68    75  
   56    59    63  
   55    57    58    66    67    71  
   57    58    66  
   59    60    61    62    63    64    65    68    69    70    72  
   58    66    67    71    75  
   66    67    71  
   60    61    62    63    64    65    68  
   61    62    63  
   62    63  
   63  
   64    65    68    69    70    72    73    74    77  
   65    68    69    70    72  
   68    69    70    72  
   67    71    75    76  
   71    75  
   69    70    72    73    74    77    78    79    83  
   70    72    73    74    77  
   72    73    74    77  
   75    76  
   73    74    77    78    79    80    81    82    83    84    85    86  
   74    77    78    79    83  
   77    78    79    83  
   76  
    0  
   78    79    80    81    82    83    84    85    86    87    88    89  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84    85    86  
   81    82    83  
   82    83  
   83  
   84    85    86    87    88    89    90    91    92  
   85    86    87    88    89  
   86    87    88    89  
   87    88    89    90    91    92    93    94    98  
   88    89    90    91    92  
   89    90    91    92  
   90    91    92    93    94    95    96    97    98    99   100   101  
   91    92    93    94    98  
   92    93    94    98  
   93    94    95    96    97    98    99   100   101   102   103   104  
   94    95    96    97    98    99   100   101  
   95    96    97    98    99   100   101  
   96    97    98  
   97    98  
   98  
   99   100   101   102   103   104   105   106   107  
  100   101   102   103   104  
  101   102   103   104  
  102   103   104   105   106   107   108   109   113  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107   108   109   110   111   112   113   114   115   116  
  106   107   108   109   113  
  107   108   109   113  
  108   109   110   111   112   113   114   115   116  
  109   110   111   112   113   114   115   116  
  110   111   112   113   114   115   116  
  111   112   113  
  112   113  
  113  
  114   115   116  
  115   116  
  116  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    50   469.000  1.400
   44    71   469.000  1.400
   50    51   367.000  1.080
   50    54   469.000  1.400
   54    55   367.000  1.080
   54    57   469.000  1.400
   57    58   367.000  1.080
   57    66   469.000  1.400
   66    67   367.000  1.080
   66    71   469.000  1.400
   71    75   310.000  1.470
   75    76   570.000  1.229
   75    39   317.000  1.522
   39    45   268.000  1.529
   39    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   317.000  1.510
   52    53   340.000  1.080
   52    56   549.000  1.340
   56    59   317.000  1.510
   56    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    83   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   268.000  1.529
   92    93   340.000  1.090
   92    94   268.000  1.529
   92    98   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   268.000  1.529
  107   113   268.000  1.529
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  113   114   340.000  1.090
  113   115   340.000  1.090
  113   116   340.000  1.090
   48    49   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  110.18000
   29    33    39    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    75    63.00000  111.10000
   33    39    45    58.35000  112.70000
   33    39    48    50.00000  109.50000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    50    60.00000  119.52600
   37    44    71    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    50    51    35.00000  120.00000
   44    50    54    63.00000  120.00000
   44    71    66    63.00000  120.00000
   44    71    75    60.00000  119.52600
   50    54    55    35.00000  120.00000
   50    54    57    63.00000  120.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  120.00000
   54    57    66    63.00000  120.00000
   57    54    55    35.00000  120.00000
   57    66    67    35.00000  120.00000
   57    66    71    63.00000  120.00000
   66    57    58    35.00000  120.00000
   66    71    75    60.00000  119.52600
   71    44    50    63.00000  120.00000
   71    66    67    35.00000  120.00000
   71    75    76    75.00000  123.78400
   71    75    39    65.00000  115.47100
   75    39    45    63.00000  111.10000
   75    39    48    90.00000  109.61100
   39    33    37    63.00000  111.10000
   39    75    76    80.00000  120.40000
   39    45    46    37.50000  110.70000
   39    45    47    37.50000  110.70000
   39    45    52    70.00000  112.02700
   39    48    49    55.00000  108.50000
   45    52    53    35.00000  117.00000
   45    52    56    70.00000  124.00000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    56    59    70.00000  124.00000
   52    56    63    70.00000  124.00000
   56    52    53    35.00000  120.00000
   56    59    60    35.00000  109.50000
   56    59    61    35.00000  109.50000
   56    59    62    35.00000  109.50000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    68    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    56    59    65.00000  117.92700
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    72    73    37.50000  110.70000
   68    72    74    37.50000  110.70000
   68    72    77    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    77    78    37.50000  110.70000
   72    77    79    58.35000  112.70000
   72    77    83    58.35000  112.70000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    82    37.50000  110.70000
   77    83    84    37.50000  110.70000
   77    83    85    37.50000  110.70000
   77    83    86    58.35000  112.70000
   79    77    78    37.50000  110.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   83    77    78    37.50000  110.70000
   83    77    79    58.35000  112.70000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    37.50000  110.70000
   86    83    85    37.50000  110.70000
   86    89    90    37.50000  110.70000
   86    89    91    37.50000  110.70000
   86    89    92    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    37.50000  110.70000
   89    86    88    37.50000  110.70000
   89    92    93    37.50000  110.70000
   89    92    94    58.35000  112.70000
   89    92    98    58.35000  112.70000
   91    89    90    33.00000  107.80000
   92    89    90    37.50000  110.70000
   92    89    91    37.50000  110.70000
   92    94    95    37.50000  110.70000
   92    94    96    37.50000  110.70000
   92    94    97    37.50000  110.70000
   92    98    99    37.50000  110.70000
   92    98   100    37.50000  110.70000
   92    98   101    58.35000  112.70000
   94    92    93    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   98    92    93    37.50000  110.70000
   98    92    94    58.35000  112.70000
   98   101   102    37.50000  110.70000
   98   101   103    37.50000  110.70000
   98   101   104    58.35000  112.70000
  100    98    99    33.00000  107.80000
  101    98    99    37.50000  110.70000
  101    98   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    58.35000  112.70000
  104   107   113    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   109   110    37.50000  110.70000
  107   109   111    37.50000  110.70000
  107   109   112    37.50000  110.70000
  107   113   114    37.50000  110.70000
  107   113   115    37.50000  110.70000
  107   113   116    37.50000  110.70000
  109   107   108    37.50000  110.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
  113   107   108    37.50000  110.70000
  113   107   109    58.35000  112.70000
  115   113   114    33.00000  107.80000
  116   113   114    33.00000  107.80000
  116   113   115    33.00000  107.80000
   48    39    45    50.00000  109.50000
   40    33    37    63.00000  111.10000
   40    33    39    58.35000  112.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
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  104   107   109   110   0.15000  1.0 3.0
  104   107   109   111   0.15000  1.0 3.0
  104   107   109   112   0.15000  1.0 3.0
  104   107   113   114   0.15000  1.0 3.0
  104   107   113   115   0.15000  1.0 3.0
  104   107   113   116   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   113   0.15000  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   113   0.15000  1.0 3.0
  108   107   109   110   0.15000  1.0 3.0
  108   107   109   111   0.15000  1.0 3.0
  108   107   109   112   0.15000  1.0 3.0
  108   107   113   114   0.15000  1.0 3.0
  108   107   113   115   0.15000  1.0 3.0
  108   107   113   116   0.15000  1.0 3.0
  109   107   113   114   0.15000  1.0 3.0
  109   107   113   115   0.15000  1.0 3.0
  109   107   113   116   0.15000  1.0 3.0
  113   107   109   110   0.15000  1.0 3.0
  113   107   109   111   0.15000  1.0 3.0
  113   107   109   112   0.15000  1.0 3.0
   48    39    45    46   0.23400  1.0 3.0
   48    39    45    47   0.23400  1.0 3.0
   48    39    45    52   1.05650  1.0 1.0
   48    39    45    52   0.15600 -1.0 2.0
   48    39    45    52   0.53150  1.0 3.0
   40    33    37    38   0.30150 -1.0 2.0
   40    33    37    44   0.05850 -1.0 2.0
   40    33    37    44   0.17250  1.0 3.0
   40    33    39    75  -0.95700  1.0 1.0
   40    33    39    75  -0.18200 -1.0 2.0
   40    33    39    75   0.29450  1.0 3.0
   40    33    39    45   0.56750  1.0 1.0
   40    33    39    45  -0.07550 -1.0 2.0
   40    33    39    45   0.20000  1.0 3.0
   40    33    39    48   0.86500  1.0 1.0
   40    33    39    48  -0.17500 -1.0 2.0
   40    33    39    48   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   50    71    44    37   4.00000 -1.0 2.0
   54    51    50    44   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
   66    58    57    54   1.10000 -1.0 2.0
   71    67    66    57   1.10000 -1.0 2.0
   66    75    71    44   4.00000 -1.0 2.0
   71    39    75    76  10.50000 -1.0 2.0
   45    53    52    56  15.00000 -1.0 2.0
   59    63    56    52  15.00000 -1.0 2.0
END
