* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    221    361     671
    1     0 S   NP   _N1_     1    29.23431    95.55621   -25.35324
    2     1 S   H    _HN1     2     1.02828    29.61222  -175.71980
    3     1 S   H    _H1_     3     1.02787   117.42244   -97.98749
    4     1 S   H    _H2_     4     1.02949    77.48646     6.40925
    5     1 S   CT   _CA1     5     1.50114   123.82454   112.73852
    6     5 S   HC   _HA1     6     1.09573   105.18769    89.35838
    7     5 S   CO3  _C1_     7     1.53792   112.47825   -30.87735
    8     7 S   O2Z  _O11     8     1.26376   115.00671   -42.09879
    9     7 S   O2Z  _O12     9     1.26241   114.95292   137.02186
   10     5 S   CT   _CB1    10     1.53077   107.41918  -152.64011
   11    10 S   HC   HB11    11     1.09834   109.38651   -49.46004
   12    10 S   HC   HB12    12     1.09812   110.45036    67.16281
   13    10 S   CT   _CG1    13     1.52983   112.58855  -170.41472
   14    13 S   HC   HG11    14     1.09579   110.65659   -65.84315
   15    13 S   HC   HG12    15     1.09672   109.75780    53.38454
   16    13 S   C    _CD1    16     1.51795   112.20614   173.86633
   17    16 S   O    _OE1    17     1.22732   123.29090     8.07820
   18    16 S   N    _N2_    18     1.38670   111.65383  -171.92751
   19    18 S   H    _HN2    19     1.01573   118.98346     1.90259
   20    18 S   CT1  _CA2    20     1.46223   123.38217   177.73462
   21    20 S   HC   _HA2    21     1.09712   109.20540     7.36189
   22    20 S   C    _C2_    22     1.53707   109.43458  -108.44241
   23    22 S   O    _O2_    23     1.23100   122.00006  -154.95988
   24    20 S   CT   _CB2    32     1.53432   111.43367   129.31491
   25    24 S   HC   HB21    33     1.09396   109.53447    57.84602
   26    24 S   HC   HB22    34     1.09485   110.03086   176.67970
   27    22 S   N    _N3_    24     1.38231   114.08610    31.96053
   28    27 S   H    _HN3    25     1.01545   119.50159    -2.57162
   29    24 S   S    _SG2    35     1.82662   111.50516   -63.01193
   30    27 S   CT   _CA3    26     1.45267   123.50725   178.22150
   31    30 S   HC   HA31    27     1.09434   107.49561   -67.48539
   32    30 S   HC   HA32    28     1.09546   108.12142    49.09929
   33    29 S   CT   _C30    36     1.86071   100.18637  -170.31276
   34    33 S   HC   _H7_    37     1.08904   105.16879    36.05030
   35    30 S   CO3  _C3_    29     1.52967   114.02013   171.41634
   36    35 S   O2Z  _O31    30     1.26381   116.06953     2.41435
   37    35 S   O2Z  _O32    31     1.26425   114.40968  -177.62430
   38    33 S   CM   _C29    38     1.51402   105.73899   153.41849
   39    38 S   HC   _H35    39     1.09406   112.53267    68.81469
   40    33 S   CT   _C31   104     1.56584   113.51943   -81.86948
   41    38 S   CMA  _C28    40     1.35848   132.55780  -111.54169
   42    41 S   OM   _O37    41     1.26782   125.19483  -178.95059
   43    40 S   CT   _C32   105     1.53641   114.77718   -50.31571
   44    43 S   HC   _H36   106     1.09467   111.82991    64.40815
   45    43 S   HC   _H37   107     1.09376   112.21034   -58.39108
   46    43 S   HC   _H38   108     1.09692   110.52432  -178.62044
   47    40 S   CT   _C33   109     1.53842   111.37798  -174.68183
   48    47 S   HC   _H39   110     1.09482   110.81690   -57.50541
   49    47 S   HC   _H40   111     1.09415   112.41951    64.70145
   50    47 S   HC   _H41   112     1.09673   110.81098  -174.63834
   51    40 S   OH   _O36   113     1.43659   107.90186    69.70857
   52    51 S   HO   _H42   114     0.97252   108.13786  -179.54716
   53    41 S   CT   _C26    42     1.58480   123.48154     0.88537
   54    53 S   CT   _C8_    43     1.57508   112.32845    66.20659
   55    54 S   HC   _H4_    44     1.09251   105.33526   -54.88223
   56    53 S   CT   _C27    98     1.53811   110.17833   -61.46869
   57    56 S   HC   _H32    99     1.09487   111.66413  -157.17732
   58    56 S   HC   _H33   100     1.09069   113.30998    81.07313
   59    56 S   HC   _H34   101     1.09699   110.77161   -40.58376
   60    53 S   OH   _O38   102     1.44962   110.22743  -174.45331
   61    60 S   HO   _H43   103     0.97417   106.56712    -0.05595
   62    54 S   CT   _C7_    45     1.56756   112.54729    63.07670
   63    62 S   HC   _H3_    46     1.09488   112.37594    31.23139
   64    62 S   CT   _C6_    47     1.54765   107.49236   151.65289
   65    64 S   HC   _H11    48     1.09580   112.24841   133.67336
   66    64 S   HC   _H12    49     1.09617   109.62234  -107.55245
   67    62 S   OH   _O39    96     1.42226   110.07277   -88.84868
   68    67 S   HO   _H44    97     0.97181   107.43653   174.71365
   69    64 S   CT   _C5_    50     1.54570   104.75961    11.06719
   70    69 S   CT   _C13    51     1.56284   115.18822  -154.32068
   71    70 S   HC   _H5_    52     1.09829   104.67569    50.08050
   72    54 S   CT   _C9_    83     1.56813   121.83713  -175.95320
   73    69 S   CT   _C4_    92     1.56140   105.37084    82.78680
   74    73 S   HC   _H8_    93     1.08710   113.75900  -165.22383
   75    73 S   HC   _H9_    94     1.09402   111.34544    72.54809
   76    73 S   HC   _H10    95     1.09312   113.06893   -44.74097
   77    70 S   CT   _C14    53     1.53951   114.75538   -61.90476
   78    77 S   HC   _H15    54     1.09818   108.89270   143.12724
   79    77 S   HC   _H16    55     1.09553   110.42327    27.93513
   80    72 S   CT   _C25    84     1.56298   110.15678   -47.45511
   81    80 S   HC   _H29    85     1.09359   112.91613   -50.53261
   82    80 S   HC   _H30    86     1.09311   113.38907  -171.97471
   83    80 S   HC   _H31    87     1.09425   110.99817    70.29991
   84    77 S   CM   _C15    56     1.49351   115.79920   -96.37962
   85    84 S   HC   _H17    57     1.08568   113.51511   168.40877
   86    84 S   CM   _C16    58     1.34590   125.86822   -10.59325
   87    86 S   CT   _C17    59     1.53093   121.11718    -2.13973
   88    87 S   HC   _H6_    60     1.09483   106.94836   106.95933
   89    87 S   CM   _C18    61     1.52012   111.01342  -140.72817
   90    89 S   HC   _H18    62     1.08757   117.23350   171.30600
   91    70 S   CT   _C12    77     1.57727   114.40874   167.10883
   92    89 S   CM   _C19    63     1.33688   125.60200    -9.00966
   93    91 S   CO4  _C11    78     1.55821   111.22292   -38.45690
   94    93 S   O    _O33    79     1.23511   121.42375  -147.81034
   95    91 S   CT   _C24    88     1.55859   106.55191  -155.27264
   96    95 S   HC   _H26    89     1.09460   112.01312   -65.32233
   97    95 S   HC   _H27    90     1.09521   112.67400   173.53273
   98    95 S   HC   _H28    91     1.09660   110.79757    55.13945
   99    92 S   CO4  _C20    64     1.48718   119.94406    -3.92556
  100    99 S   O    _O34    65     1.23174   118.35528   170.65439
  101    92 S   OH   _O35    75     1.37793   121.46288   177.44212
  102   101 S   HO   _H25    76     0.97446   106.71463  -179.57250
  103    93 S   CT   _C10    80     1.52626   119.65044    35.94658
  104   103 S   HC   _H13    81     1.09285   109.01788    76.06266
  105   103 S   HC   _H14    82     1.09415   106.97090  -169.36464
  106    86 S   CT   _C21    66     1.53702   122.84045   177.65040
  107   106 S   CT   _C22    67     1.54559   114.67068     6.22983
  108   107 S   HC   _H19    68     1.09705   111.31150   178.33823
  109   107 S   HC   _H20    69     1.09654   111.52581    59.27823
  110   107 S   HC   _H21    70     1.09608   111.68918   -62.41172
  111   106 S   CT   _C23    71     1.54021   110.63859  -115.18466
  112   111 S   HC   _H22    72     1.09668   110.92311   179.57158
  113   111 S   HC   _H23    73     1.09613   111.02903    59.61464
  114   111 S   HC   _H24    74     1.09509   112.75371   -61.40807
  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   9   5   4   3
  17   7   2   1   1  11   4  11  12   4   9   4   3   2   5   3
   2   1   1   1  16  26  10   7   3   2   1   3   1  12   7  16
   6   5   3   1  22  24  10  15   7   2   1   1  10   5   4   7
   3   2   1  10   3  19  17   7  10   4  11   7   8   4   4   2
   1   1  12   4   2   1   2   1   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    43    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    53    40    43    44    45    46    47    48    49    50    51    52  
   38    39    41    40    43    47    51  
   36    37  
   37  
    0  
   39    41    42    53    54    56    60    40    43    47    51  
   41    42    53    40  
   43    44    45    46    47    48    49    50    51    52    41  
   42    53    54    55    62    72    56    57    58    59    60    61  
   53    54    56    60  
   44    45    46    47    48    49    50    51    52  
   45    46    47    51  
   46    47    51  
   47    51  
   48    49    50    51    52  
   49    50    51  
   50    51  
   51  
   52  
    0  
   54    55    62    63    64    69   103    72    80    67    56    57    58    59    60    61  
   55    62    63    64    65    66    69    70    93   103   104   105    72    80    81    82    83    73    67    68    56    57    58    59    60    61  
   62    63    64    69   103    72    80    67    56    60  
   57    58    59    60    61    62    72  
   58    59    60  
   59    60  
   60  
   61    62    72  
    0  
   63    64    65    66    69    70   103    72    80    73    67    68  
   64    65    66    69    72    67    68  
   65    66    69    70    71    77    91   103    72    80    73    74    75    76    67    68  
   66    69    70    72    73    67  
   69    70    72    73    67  
   68    69    72  
    0  
   70    71    77    78    79    84    87    91    93   103   104   105    72    80    81    82    83    95    73    74    75    76  
   71    77    78    79    84    85    86    87    88    89    91    93    94   103    72    80    95    96    97    98    73    74    75    76  
   77    78    79    84    87    91    93    72    95    73  
   80    81    82    83    73    74    75    76    77    91    93    94   103   104   105  
   74    75    76    77    80    91   103  
   75    76  
   76  
    0  
   78    79    84    85    86    87   106    91    93    95  
   79    84    85    86    91  
   84    85    86    91  
   81    82    83    93   103   104   105  
   82    83   103  
   83   103  
  103  
   85    86    87    88    89    99   106   107   111    91  
   86    87   106  
   87    88    89    90    92    99   100   106   107   108   109   110   111   112   113   114    91    93    95  
   88    89    90    92    99   106   107   111   101    91    93    94   103    95    96    97    98  
   89    90    92   106    91    93    95  
   90    92    99   100   106   101   102    91    93    95  
   92    99   101    91  
   93    94   103   104   105    95    96    97    98    92   106  
   99   100   106   107   111   101   102  
   94   103   104   105    95    96    97    98  
  103   104   105    95  
   96    97    98   103  
   97    98  
   98  
    0  
  100   106   107   108   109   110   111   112   113   114   101   102  
  106   107   111   101  
  102   106  
    0  
  104   105  
  105  
    0  
  107   108   109   110   111   112   113   114  
  108   109   110   111   112   113   114  
  109   110   111  
  110   111  
  111  
  112   113   114  
  113   114  
  114  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   87   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   90   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   92   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   93   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  101   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
  102   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
  103   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    53   270.000  1.512
   53    54   268.000  1.529
   53    56   268.000  1.529
   53    60   320.000  1.410
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    72   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    67   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   268.000  1.529
   69    72   268.000  1.529
   69    73   268.000  1.529
   70    71   340.000  1.090
   70    77   268.000  1.529
   70    91   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   317.000  1.510
   84    85   340.000  1.080
   84    86   549.000  1.340
   86    87   317.000  1.510
   86   106   317.000  1.510
   87    88   340.000  1.090
   87    89   317.000  1.510
   87    91   268.000  1.529
   89    90   340.000  1.080
   89    92   549.000  1.340
   92    99   320.000  1.462
   92   101   510.000  1.338
   99   100   570.000  1.229
   99   106   317.000  1.522
  106   107   268.000  1.529
  106   111   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  101   102   553.000  0.945
   91    93   317.000  1.522
   91    95   268.000  1.529
   93    94   570.000  1.229
   93   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103    72   268.000  1.529
   72    80   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   67    68   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   553.000  0.945
   40    43   268.000  1.529
   40    47   268.000  1.529
   40    51   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    43    58.35000  112.70000
   33    40    47    58.35000  112.70000
   33    40    51    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    53    65.00000  122.18000
   41    38    39    40.00000  120.50800
   41    53    54    70.00000  112.02700
   41    53    56    70.00000  112.02700
   41    53    60    90.00000  110.39200
   53    41    42    85.00000  112.85300
   53    54    55    37.50000  110.70000
   53    54    62    58.35000  112.70000
   53    54    72    58.35000  112.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    37.50000  110.70000
   53    60    61    55.00000  108.50000
   54    62    63    37.50000  110.70000
   54    62    64    58.35000  112.70000
   54    62    67    50.00000  109.50000
   54    72    69    58.35000  112.70000
   54    72   103    58.35000  112.70000
   54    72    80    58.35000  112.70000
   62    54    55    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    69    58.35000  112.70000
   62    67    68    55.00000  108.50000
   64    62    63    37.50000  110.70000
   64    69    70    58.35000  112.70000
   64    69    72    58.35000  112.70000
   64    69    73    58.35000  112.70000
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    70    71    37.50000  110.70000
   69    70    77    58.35000  112.70000
   69    70    91    58.35000  112.70000
   69    72   103    58.35000  112.70000
   69    72    80    58.35000  112.70000
   69    73    74    37.50000  110.70000
   69    73    75    37.50000  110.70000
   69    73    76    37.50000  110.70000
   70    77    78    37.50000  110.70000
   70    77    79    37.50000  110.70000
   70    77    84    70.00000  112.02700
   70    91    87    58.35000  112.70000
   70    91    93    63.00000  111.10000
   70    91    95    58.35000  112.70000
   77    70    71    37.50000  110.70000
   77    84    85    35.00000  117.00000
   77    84    86    70.00000  124.00000
   79    77    78    33.00000  107.80000
   84    77    78    35.00000  109.50000
   84    77    79    35.00000  109.50000
   84    86    87    70.00000  124.00000
   84    86   106    70.00000  124.00000
   86    84    85    35.00000  120.00000
   86    87    88    35.00000  109.50000
   86    87    89    70.00000  110.12100
   86    87    91    70.00000  112.02700
   86   106    99    70.00000  109.06800
   86   106   107    70.00000  112.02700
   86   106   111    70.00000  112.02700
   87    89    90    35.00000  117.00000
   87    89    92    70.00000  124.00000
   87    91    93    63.00000  111.10000
   87    91    95    58.35000  112.70000
   89    87    88    35.00000  109.50000
   89    92    99    65.00000  118.96000
   89    92   101    80.00000  121.38400
   92    89    90    35.00000  120.00000
   92    99   100    80.00000  123.72100
   92    99   106    65.00000  118.62400
   92   101   102    70.00000  107.45700
   99   106   107    63.00000  111.10000
   99   106   111    63.00000  111.10000
  106    86    87    65.00000  117.92700
  106    99   100    80.00000  120.40000
  106   107   108    37.50000  110.70000
  106   107   109    37.50000  110.70000
  106   107   110    37.50000  110.70000
  106   111   112    37.50000  110.70000
  106   111   113    37.50000  110.70000
  106   111   114    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  111   106   107    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  101    92    99    85.00000  116.28000
   91    70    71    37.50000  110.70000
   91    70    77    58.35000  112.70000
   91    87    88    37.50000  110.70000
   91    87    89    70.00000  112.02700
   91    93    94    80.00000  120.40000
   91    93   103    70.00000  116.00000
   91    95    96    37.50000  110.70000
   91    95    97    37.50000  110.70000
   91    95    98    37.50000  110.70000
   93   103   104    35.00000  109.50000
   93   103   105    35.00000  109.50000
   93   103    72    63.00000  111.10000
  103    93    94    80.00000  120.40000
  103    72    80    58.35000  112.70000
  105   103   104    33.00000  107.80000
   72    54    55    37.50000  110.70000
   72    54    62    58.35000  112.70000
   72    69    70    58.35000  112.70000
   72   103   104    37.50000  110.70000
   72   103   105    37.50000  110.70000
   72    80    81    37.50000  110.70000
   72    80    82    37.50000  110.70000
   72    80    83    37.50000  110.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   95    91    93    63.00000  111.10000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   73    69    70    58.35000  112.70000
   73    69    72    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   67    62    63    35.00000  109.50000
   67    62    64    50.00000  109.50000
   56    53    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    53    54    50.00000  109.50000
   60    53    56    50.00000  109.50000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   40    51    52    55.00000  108.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    40    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    40    43    50.00000  109.50000
   51    40    47    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
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   87    91    95    98   0.15000  1.0 3.0
   88    87    89    90   0.33100  1.0 3.0
   88    87    89    92   0.00000  1.0 1.0
   88    87    91    70   0.15000  1.0 3.0
   88    87    91    93  -0.11250  1.0 3.0
   88    87    91    95   0.15000  1.0 3.0
   89    87    91    70   0.34400  1.0 1.0
   89    87    91    70   0.09450 -1.0 2.0
   89    87    91    70   0.11100  1.0 3.0
   89    87    91    93  -0.98800  1.0 1.0
   89    87    91    93   0.48800 -1.0 2.0
   89    87    91    93   0.76800  1.0 3.0
   89    87    91    95   0.34400  1.0 1.0
   89    87    91    95   0.09450 -1.0 2.0
   89    87    91    95   0.11100  1.0 3.0
   89    92    99   100   1.00000 -1.0 2.0
   89    92    99   106  -0.33500  1.0 1.0
   89    92    99   106   1.06600 -1.0 2.0
   89    92    99   106  -0.14000  1.0 3.0
   89    92   101   102  -0.66100  1.0 1.0
   89    92   101   102   1.20850 -1.0 2.0
   89    92   101   102  -0.36000  1.0 3.0
   90    89    92    99   7.00000 -1.0 2.0
   90    89    92   101   7.00000 -1.0 2.0
   92    99  -106    86   0.65300  1.0 1.0
   92    99  -106    86  -0.03850 -1.0 2.0
   92    99  -106    86   0.33900  1.0 3.0
   92    99   106   107   0.65300  1.0 1.0
   92    99   106   107  -0.03850 -1.0 2.0
   92    99   106   107   0.33900  1.0 3.0
   92    99   106   111   0.65300  1.0 1.0
   92    99   106   111  -0.03850 -1.0 2.0
   92    99   106   111   0.33900  1.0 3.0
   99    92   101   102   2.00000 -1.0 2.0
   99   106   107   108  -0.11250  1.0 3.0
   99   106   107   109  -0.11250  1.0 3.0
   99   106   107   110  -0.11250  1.0 3.0
   99   106   111   112  -0.11250  1.0 3.0
   99   106   111   113  -0.11250  1.0 3.0
   99   106   111   114  -0.11250  1.0 3.0
  100    99   106    86   0.30150 -1.0 2.0
  100    99   106   107   0.30150 -1.0 2.0
  100    99   106   111   0.30150 -1.0 2.0
  106    86    87    88   0.34800  1.0 3.0
  106    86   -87    89   0.09700  1.0 1.0
  106    86   -87    89   0.15600 -1.0 2.0
  106    86   -87    89  -0.50800  1.0 3.0
  106    86    87    91   0.46850  1.0 1.0
  106    86    87    91   0.08550 -1.0 2.0
  106    86    87    91   0.09800  1.0 3.0
  107   106   111   112   0.15000  1.0 3.0
  107   106   111   113   0.15000  1.0 3.0
  107   106   111   114   0.15000  1.0 3.0
  111   106   107   108   0.15000  1.0 3.0
  111   106   107   109   0.15000  1.0 3.0
  111   106   107   110   0.15000  1.0 3.0
  101    92    99   100  -0.11900  1.0 1.0
  101    92    99   100   0.76850 -1.0 2.0
  101    92    99   100   0.14100  1.0 3.0
  101    92    99   106   0.32450 -1.0 2.0
  101    92    99   106   0.17400  1.0 3.0
   91    70    77    78   0.15000  1.0 3.0
   91    70    77    79   0.15000  1.0 3.0
   91    70   -77    84   0.34400  1.0 1.0
   91    70   -77    84   0.09450 -1.0 2.0
   91    70   -77    84   0.11100  1.0 3.0
   91    87    89    90   0.00000  1.0 1.0
   91    87    89    92   0.09850  1.0 1.0
   91    87    89    92   0.15250 -1.0 2.0
   91    87    89    92  -0.50650  1.0 3.0
   91    93   103   104   0.00000  1.0 1.0
   91    93   103   105   0.00000  1.0 1.0
   91    93   103    72   0.60050  1.0 1.0
   91    93   103    72   0.05600 -1.0 2.0
   91    93   103    72   0.26150  1.0 3.0
   93    91    95    96  -0.11250  1.0 3.0
   93    91    95    97  -0.11250  1.0 3.0
   93    91    95    98  -0.11250  1.0 3.0
   93   103    72    54  -0.95700  1.0 1.0
   93   103    72    54  -0.18200 -1.0 2.0
   93   103    72    54   0.29450  1.0 3.0
   93   103   -72    69  -0.95700  1.0 1.0
   93   103   -72    69  -0.18200 -1.0 2.0
   93   103   -72    69   0.29450  1.0 3.0
   93   103    72    80  -0.95700  1.0 1.0
   93   103    72    80  -0.18200 -1.0 2.0
   93   103    72    80   0.29450  1.0 3.0
   94    93   103   104   0.00000  1.0 1.0
   94    93   103   105   0.00000  1.0 1.0
   94    93   103    72   0.30150 -1.0 2.0
  103    72    80    81   0.15000  1.0 3.0
  103    72    80    82   0.15000  1.0 3.0
  103    72    80    83   0.15000  1.0 3.0
  104   103    72    54   0.15000  1.0 3.0
  104   103    72    69   0.15000  1.0 3.0
  104   103    72    80   0.15000  1.0 3.0
  105   103    72    54   0.15000  1.0 3.0
  105   103    72    69   0.15000  1.0 3.0
  105   103    72    80   0.15000  1.0 3.0
   72    54    62    63   0.15000  1.0 3.0
   72    54   -62    64   0.56750  1.0 1.0
   72    54   -62    64  -0.07550 -1.0 2.0
   72    54   -62    64   0.20000  1.0 3.0
   72    54    62    67   0.86500  1.0 1.0
   72    54    62    67  -0.17500 -1.0 2.0
   72    54    62    67   0.20800  1.0 3.0
   72    69    70    71   0.15000  1.0 3.0
   72    69    70    77   0.56750  1.0 1.0
   72    69    70    77  -0.07550 -1.0 2.0
   72    69    70    77   0.20000  1.0 3.0
   72    69   -70    91   0.56750  1.0 1.0
   72    69   -70    91  -0.07550 -1.0 2.0
   72    69   -70    91   0.20000  1.0 3.0
   72    69    73    74   0.15000  1.0 3.0
   72    69    73    75   0.15000  1.0 3.0
   72    69    73    76   0.15000  1.0 3.0
   95    91    93    94   0.30150 -1.0 2.0
   95    91    93   103   0.60050  1.0 1.0
   95    91    93   103   0.05600 -1.0 2.0
   95    91    93   103   0.26150  1.0 3.0
   73    69    70    71   0.15000  1.0 3.0
   73    69    70    77   0.56750  1.0 1.0
   73    69    70    77  -0.07550 -1.0 2.0
   73    69    70    77   0.20000  1.0 3.0
   73    69    70    91   0.56750  1.0 1.0
   73    69    70    91  -0.07550 -1.0 2.0
   73    69    70    91   0.20000  1.0 3.0
   73    69    72    54   0.56750  1.0 1.0
   73    69    72    54  -0.07550 -1.0 2.0
   73    69    72    54   0.20000  1.0 3.0
   73    69    72   103   0.56750  1.0 1.0
   73    69    72   103  -0.07550 -1.0 2.0
   73    69    72   103   0.20000  1.0 3.0
   73    69    72    80   0.56750  1.0 1.0
   73    69    72    80  -0.07550 -1.0 2.0
   73    69    72    80   0.20000  1.0 3.0
   67    62    64    65   0.23400  1.0 3.0
   67    62    64    66   0.23400  1.0 3.0
   67    62    64    69   0.86500  1.0 1.0
   67    62    64    69  -0.17500 -1.0 2.0
   67    62    64    69   0.20800  1.0 3.0
   56    53    54    55   0.15000  1.0 3.0
   56    53    54    62   0.56750  1.0 1.0
   56    53    54    62  -0.07550 -1.0 2.0
   56    53    54    62   0.20000  1.0 3.0
   56    53    54    72   0.56750  1.0 1.0
   56    53    54    72  -0.07550 -1.0 2.0
   56    53    54    72   0.20000  1.0 3.0
   56    53    60    61  -0.11600  1.0 1.0
   56    53    60    61  -0.09450 -1.0 2.0
   56    53    60    61   0.21250  1.0 3.0
   60    53    54    55   0.23400  1.0 3.0
   60    53    54    62   0.86500  1.0 1.0
   60    53    54    62  -0.17500 -1.0 2.0
   60    53    54    62   0.20800  1.0 3.0
   60    53    54    72   0.86500  1.0 1.0
   60    53    54    72  -0.17500 -1.0 2.0
   60    53    54    72   0.20800  1.0 3.0
   60    53    56    57   0.23400  1.0 3.0
   60    53    56    58   0.23400  1.0 3.0
   60    53    56    59   0.23400  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41   0.09850  1.0 1.0
   40    33    38    41   0.15250 -1.0 2.0
   40    33    38    41  -0.50650  1.0 3.0
   43    40    47    48   0.15000  1.0 3.0
   43    40    47    49   0.15000  1.0 3.0
   43    40    47    50   0.15000  1.0 3.0
   43    40    51    52  -0.11600  1.0 1.0
   43    40    51    52  -0.09450 -1.0 2.0
   43    40    51    52   0.21250  1.0 3.0
   47    40    43    44   0.15000  1.0 3.0
   47    40    43    45   0.15000  1.0 3.0
   47    40    43    46   0.15000  1.0 3.0
   47    40    51    52  -0.11600  1.0 1.0
   47    40    51    52  -0.09450 -1.0 2.0
   47    40    51    52   0.21250  1.0 3.0
   51    40    43    44   0.23400  1.0 3.0
   51    40    43    45   0.23400  1.0 3.0
   51    40    43    46   0.23400  1.0 3.0
   51    40    47    48   0.23400  1.0 3.0
   51    40    47    49   0.23400  1.0 3.0
   51    40    47    50   0.23400  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   53    42    41    38  15.00000 -1.0 2.0
   77    85    84    86   1.10000 -1.0 2.0
   87   106    86    84   1.10000 -1.0 2.0
   87    90    89    92   1.10000 -1.0 2.0
   99   101    92    89   1.10000 -1.0 2.0
   92   106    99   100  10.50000 -1.0 2.0
   91   103    93    94  10.50000 -1.0 2.0
END
