* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    221    361     671
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02103    41.13307  -144.82811
    3     1 S   H    _H1_     3     1.02075   102.80123   -41.03451
    4     1 S   H    _H2_     4     1.02113    72.62810    64.84886
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C31    36     1.84104    97.56365  -178.14649
   34    33 S   HC   _H3_    37     1.09635   105.26850    42.87352
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C10    38     1.51905   106.90288   159.95090
   39    38 S   HC   _H41    39     1.08862   114.28063    64.71528
   40    33 S   CT   _C33   104     1.55822   112.94192   -74.61639
   41    38 S   CMA  _C11    40     1.35587   125.82679  -113.83202
   42    41 S   OM   _O33    41     1.26543   129.15030  -179.77794
   43    40 S   CT   _C29   105     1.53691   112.11358   -34.13889
   44    43 S   HC   _H70   106     1.09497   111.81802    56.99616
   45    43 S   HC   _H71   107     1.09475   111.52602   -65.20586
   46    43 S   HC   _H72   108     1.09642   110.69552   174.31769
   47    40 S   CT   _C30   109     1.53784   111.00958  -155.71723
   48    47 S   HC   _H73   110     1.09530   111.59930   -56.34545
   49    47 S   HC   _H74   111     1.09476   111.54745    65.61193
   50    47 S   HC   _H75   112     1.09654   110.82097  -173.74859
   51    40 S   OH   _O39   113     1.43153   109.45371    85.60943
   52    51 S   HO   _H80   114     0.96761   106.18060   177.73869
   53    41 S   CT   _C32    42     1.56881   119.42611     0.00000
   54    53 S   CT   _C17    43     1.52693   114.46744    59.98435
   55    54 S   HC   _H50    44     1.09753   105.21424   -60.02830
   56    53 S   CT   _C28    98     1.54458   110.48312   -65.33366
   57    56 S   HC   _H67    99     1.09549   112.09592  -180.00000
   58    56 S   HC   _H68   100     1.09634   110.45536    59.43331
   59    56 S   HC   _H69   101     1.09760   111.34874   -58.42760
   60    53 S   OH   _O38   102     1.44419   110.62096   179.67076
   61    60 S   HO   _H79   103     0.96387   105.45408    59.98751
   62    54 S   CT   _C18    45     1.55105   112.29519    59.66092
   63    62 S   HC   _H51    46     1.09570   112.46590    28.18462
   64    62 S   CT   _C14    47     1.55107   106.69323   148.18653
   65    64 S   HC   _H46    48     1.09612   112.27525   131.59282
   66    64 S   HC   _H47    49     1.09611   109.55706  -109.55232
   67    62 S   OH   _O37    96     1.42085   110.48718   -92.03053
   68    67 S   HO   _H78    97     0.97064   106.82666  -177.65665
   69    64 S   CT   _C22    50     1.55189   104.80035     8.86051
   70    69 S   CT   _C16    51     1.56139   115.81796  -152.19377
   71    70 S   HC   _H49    52     1.09899   104.64605    49.71878
   72    54 S   CT   _C21    83     1.54765   116.98743   177.97841
   73    69 S   CT   _C27    92     1.56067   105.11612    84.20607
   74    73 S   HC   _H64    93     1.07793   108.12398  -179.98022
   75    73 S   HC   _H65    94     1.07793   108.12964    59.98402
   76    73 S   HC   _H66    95     1.07794   108.09575   -59.96051
   77    70 S   CT   _C12    53     1.53880   114.61887   -62.56357
   78    77 S   HC   _H42    54     1.09854   108.95358   143.78846
   79    77 S   HC   _H43    55     1.09502   110.32864    28.56969
   80    72 S   CT   _C26    84     1.56732   108.79624   -45.64850
   81    80 S   HC   _H61    85     1.07633   107.80384   -53.11300
   82    80 S   HC   _H62    86     1.07514   107.81293  -173.12522
   83    80 S   HC   _H63    87     1.07546   107.82483    66.85012
   84    77 S   CM   _C5_    56     1.49382   115.70713   -95.67784
   85    84 S   HC   _H40    57     1.08558   113.55177   167.99738
   86    84 S   CM   _C7_    58     1.34522   125.84360   -11.09290
   87    86 S   CT   _C15    59     1.52979   121.18203    -2.21797
   88    87 S   HC   _H48    60     1.09481   106.95131   107.30168
   89    87 S   CM   _C4_    61     1.52012   111.05237  -140.47893
   90    89 S   HC   _H39    62     1.08793   117.10779   171.59323
   91    70 S   CT   _C20    77     1.58018   114.38978   166.58733
   92    89 S   CM   _C6_    63     1.33708   125.62050    -8.98389
   93    91 S   CO4  _C9_    78     1.56139   111.35195   -38.71465
   94    93 S   O    _O35    79     1.23478   121.64165  -147.11564
   95    91 S   CT   _C25    88     1.55838   106.55591  -155.61357
   96    95 S   HC   _H58    89     1.07811   108.28424   -60.57618
   97    95 S   HC   _H59    90     1.07860   108.27276   179.45285
   98    95 S   HC   _H60    91     1.07825   108.25798    59.48498
   99    92 S   CO4  _C8_    64     1.48695   119.73038    -3.68254
  100    99 S   O    _O34    65     1.23144   118.76855   169.60166
  101    92 S   OH   _O36    75     1.37716   121.41027   177.69488
  102   101 S   HO   _H77    76     0.96307   110.01653  -179.95577
  103    93 S   CT   _C13    80     1.52563   119.36734    36.48599
  104   103 S   HC   _H44    81     1.09238   108.95964    75.66168
  105   103 S   HC   _H45    82     1.09751   108.20575  -169.05905
  106    86 S   CT   _C19    66     1.53647   122.91376   177.62892
  107   106 S   CT   _C23    67     1.54575   114.63864     5.73504
  108   107 S   HC   _H52    68     1.08228   108.90590  -179.96044
  109   107 S   HC   _H53    69     1.08230   108.91392    59.98107
  110   107 S   HC   _H54    70     1.08269   108.87609   -60.03217
  111   106 S   CT   _C24    71     1.54211   110.82723  -115.72192
  112   111 S   HC   _H55    72     1.08348   109.10391   179.97202
  113   111 S   HC   _H56    73     1.08443   109.07226    59.99625
  114   111 S   HC   _H57    74     1.08390   109.06963   -59.96358
  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
    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
   37    30    35    36  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
