* LIGAND DATABASE FILE (OPLS2005)
*
001     110   111    203    306     601
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02128   103.97482     7.81125
    3     1 S   H    _H1_     3     1.02116    43.43024   110.32875
    4     1 S   H    _H2_     4     1.02085    69.75877   -97.26723
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C12    36     1.83045    97.74268   161.84819
   34    33 S   HC   _H6_    37     1.10040   106.96166   -39.16337
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   _C13    38     1.50379   108.17630    80.03124
   39    38 S   HC   _H18    39     1.08461   116.81502    60.41992
   40    33 S   CT   _C11    57     1.54192   109.48259  -156.23021
   41    40 S   HC   _H16    58     1.09553   108.89915    58.18349
   42    40 S   HC   _H17    59     1.09508   110.73856   -58.97082
   43    38 S   CM   _C14    40     1.34295   124.92752  -120.93308
   44    43 S   OS   _O33    41     1.38456   119.14769  -176.01734
   45    43 S   OH   _O37   109     1.38144   120.56459     4.27159
   46    45 S   HO   _H38   110     0.96250   109.73217   179.97202
   47    44 S   CT   _C15    42     1.43690   113.78091   128.28591
   48    47 S   HC   _H7_    43     1.07360   110.62883    -9.22650
   49    47 S   CT   _C5_    44     1.55161   109.33336  -130.03326
   50    49 S   HC   _H3_    45     1.08051   107.14286  -172.79228
   51    47 S   CM   _C16    71     1.50391   108.46247   108.14120
   52    49 S   CT   _C6_    46     1.56069   115.24424    65.95639
   53    52 S   HC   _H4_    47     1.09527   110.95839   -63.28970
   54    49 S   CT   _C4_    67     1.54685   110.67718   -58.32734
   55    54 S   HC   _H9_    68     1.08622   109.47933    64.41733
   56    54 S   HC   _H10    69     1.08653   109.47133   -55.57846
   57    54 S   HC   _H11    70     1.08624   109.44669  -175.58439
   58    51 S   CM   _C17    72     1.34701   125.51147     0.47601
   59    58 S   HC   _H19    73     1.09018   117.44758    -0.16902
   60    51 S   CT   _C29   105     1.50603   114.15087  -179.79442
   61    60 S   HC   _H35   106     1.09495   110.24423   -89.70765
   62    60 S   HC   _H36   107     1.09524   112.52828    30.38620
   63    60 S   HC   _H37   108     1.09597   110.20586   150.48650
   64    52 S   CT   _C7_    48     1.54945   116.84515    62.22200
   65    64 S   HC   _H5_    49     1.10427   111.19559    43.61215
   66    52 S   OH   _O39    65     1.44016   107.26749  -177.97223
   67    66 S   HO   _H42    66     0.96810   106.12283   -66.05419
   68    58 S   CT   _C18    74     1.50502   127.97260  -179.96044
   69    68 S   HC   _H8_    75     1.09267   112.87086    -0.02798
   70    64 S   CM   _C8_    50     1.50591   114.89368   -80.85614
   71    70 S   HC   _H12    51     1.08470   116.20759    92.43839
   72    64 S   OS   _O38    60     1.43559   109.00421   158.88208
   73    68 S   CO4  _C20    76     1.52662   106.76771   118.53727
   74    73 S   O    _O34    77     1.23105   121.74424    88.27706
   75    68 S   CT   _C19   101     1.52773   111.12642  -120.30661
   76    75 S   HC   _H20   102     1.09535   110.58480   -56.31207
   77    75 S   HC   _H21   103     1.09591   110.84217  -176.07120
   78    75 S   HC   _H22   104     1.09606   111.98589    63.36946
   79    70 S   CM   _C9_    52     1.34349   124.92274   -83.74999
   80    79 S   HC   _H13    53     1.09287   119.26647     1.89176
   81    72 S   CT   _C30    61     1.41784   111.19361  -155.07354
   82    81 S   HC   _H39    62     1.09277   109.56150  -179.97202
   83    81 S   HC   _H40    63     1.09265   109.49194    59.19863
   84    81 S   HC   _H41    64     1.09254   108.97719   -60.40599
   85    73 S   CT   _C21    78     1.52308   116.11028   -91.66510
   86    85 S   HC   _H23    79     1.09533   109.09375    30.02457
   87    85 S   HC   _H24    80     1.09592   106.86590   -86.58877
   88    79 S   CT   _C10    54     1.50264   124.53084   179.65226
   89    88 S   HC   _H14    55     1.09445   111.39794     2.26365
   90    88 S   HC   _H15    56     1.09551   107.26551   118.82974
   91    85 S   CT   _C22    81     1.52839   113.68747   152.75842
   92    91 S   HC   _H25    82     1.09648   108.41824   179.96574
   93    91 S   HC   _H26    83     1.09659   110.34526    63.28459
   94    91 S   CT   _C23    84     1.53036   112.28972   -59.70440
   95    94 S   HC   _H27    85     1.09613   109.83993   -59.09888
   96    94 S   HC   _H28    86     1.09611   110.38290    58.78736
   97    94 S   CT   _C24    87     1.52592   111.42288   179.90309
   98    97 S   HC   _H29    88     1.07790   107.71609    40.85904
   99    97 S   CT   _C25    89     1.52501   110.93876   -78.57024
  100    99 S   HC   _H30    90     1.09019   110.21963    61.05855
  101    99 S   HC   _H31    91     1.08963   110.46015   -58.91746
  102    99 S   C    _C26    92     1.51069   111.40169  -179.85873
  103   102 S   O    _O35    93     1.23091   121.41779  -152.95984
  104   102 S   N    _N4_    94     1.39001   115.57209    29.81319
  105   104 S   H    _H32    95     1.01543   115.93484   178.01929
  106   104 S   C    _C27    96     1.39124   128.15987    -1.05499
  107   106 S   O    _O36    97     1.23039   122.92276   178.22073
  108    97 S   CT   _C28    98     1.52500   110.93807   160.23358
  109   108 S   HC   _H33    99     1.09001   110.44577    58.89492
  110   108 S   HC   _H34   100     1.09137   110.20340   -61.00178
  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
  13   7   2   1   1  10   4   9   5   4   7  11   2   1  19   7
  16   9  12  14   7   5   2   1   1  14   5   4   2   1   1  13
   6   3   1  11   7   8   4   5  12   5   4   2   1   1   4   3
   3   2   1   1   9   5   4   2   1   1   9   5   4  12   5   4
  12   8  10   5   4   6   3   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43    88    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    79    88    89    90    40    41    42    45  
   38    39    43    88    40    41    42  
   36    37  
   37  
    0  
   39    43    44    47    88    40    41    42    45    46  
   43    44    40    45  
   41    42    43    70    79    80    88    89    90  
   42    79    88    89    90  
   79    88    89    90  
   44    47    48    49    51    45    46  
   47    48    49    50    52    54    51    58    60    45    46  
   46    47  
    0  
   48    49    50    52    53    64    66    54    55    56    57    51    58    59    68    60    61    62    63  
   49    50    52    54    51    58    60  
   50    52    53    64    65    70    72    66    67    54    55    56    57    51    58    60  
   52    53    64    66    54    55    56    57    51  
   58    59    68    69    73    75    60    61    62    63    52    54  
   53    64    65    70    71    79    72    81    66    67    54    55    56    57  
   64    65    70    72    66    67    54  
   55    56    57    64    66  
   56    57  
   57  
    0  
   59    68    69    73    74    85    75    76    77    78    60    61    62    63  
   68    69    73    75    60  
   61    62    63    68  
   62    63  
   63  
    0  
   65    70    71    79    80    88    72    81    82    83    84    66    67  
   70    71    79    72    81    66  
   67    70    72  
    0  
   69    73    74    85    86    87    91    75    76    77    78  
   73    74    85    75    76    77    78  
   71    79    80    88    89    90    72    81  
   79    80    88    72  
   81    82    83    84    79  
   74    85    86    87    91    92    93    94    75    76    77    78  
   85    86    87    91    75  
   76    77    78    85  
   77    78  
   78  
    0  
   80    88    89    90  
   88    89    90  
   82    83    84  
   83    84  
   84  
    0  
   86    87    91    92    93    94    95    96    97  
   87    91    92    93    94  
   91    92    93    94  
   89    90  
   90  
    0  
   92    93    94    95    96    97    98    99   108  
   93    94    95    96    97  
   94    95    96    97  
   95    96    97    98    99   100   101   102   106   108   109   110  
   96    97    98    99   108  
   97    98    99   108  
   98    99   100   101   102   103   104   106   107   108   109   110  
   99   100   101   102   106   108   109   110  
  100   101   102   103   104   105   106   108   109   110  
  101   102   103   104   108  
  102   103   104   108  
  103   104   105   106   107   108  
  104   105   106  
  105   106   107   108   109   110  
  106   107   108  
  107   108   109   110  
  108   109   110  
  109   110  
  110  
    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  -0.115000   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  -0.120000   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   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   44   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
  104   3.2500   0.1700  -0.481700   1.8100   1.6000   0.054801302  -1.445846770
  105   0.5000   0.0300   0.356700   1.5900   1.4000   0.030040813  -0.651083722
  106   3.7500   0.1050   0.570500   1.9250   1.7000   0.001000000  -0.126889456
  107   2.9600   0.2100  -0.508000   1.5250   1.4250   0.001000000  -1.480495490
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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
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    43   549.000  1.340
   43    44   440.000  1.360
   43    45   510.000  1.338
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   268.000  1.529
   47    51   317.000  1.510
   49    50   340.000  1.090
   49    52   268.000  1.529
   49    54   268.000  1.529
   52    53   340.000  1.090
   52    64   268.000  1.529
   52    66   320.000  1.410
   64    65   340.000  1.090
   64    70   317.000  1.510
   64    72   320.000  1.410
   70    71   340.000  1.080
   70    79   549.000  1.340
   79    80   340.000  1.080
   79    88   317.000  1.510
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   72    81   320.000  1.410
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   51    58   549.000  1.340
   51    60   317.000  1.510
   58    59   340.000  1.080
   58    68   317.000  1.510
   68    69   340.000  1.090
   68    73   317.000  1.522
   68    75   268.000  1.529
   73    74   570.000  1.229
   73    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   268.000  1.529
   97    98   340.000  1.090
   97    99   268.000  1.529
   97   108   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   317.000  1.522
  102   103   570.000  1.229
  102   104   490.000  1.335
  104   105   434.000  1.010
  104   106   490.000  1.335
  106   107   570.000  1.229
  106   108   317.000  1.522
  108   109   340.000  1.090
  108   110   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   45    46   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    43    70.00000  124.00000
   33    40    88    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    80.00000  120.01400
   38    43    45    80.00000  121.38400
   43    38    39    35.00000  120.00000
   43    44    47    90.00000  111.18400
   43    45    46    70.00000  107.45700
   44    47    48    35.00000  109.50000
   44    47    49    50.00000  109.50000
   44    47    51    85.00000  110.90400
   47    49    50    37.50000  110.70000
   47    49    52    58.35000  112.70000
   47    49    54    58.35000  112.70000
   47    51    58    70.00000  124.00000
   47    51    60    65.00000  117.92700
   49    47    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    64    58.35000  112.70000
   49    52    66    50.00000  109.50000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   52    49    50    37.50000  110.70000
   52    64    65    37.50000  110.70000
   52    64    70    70.00000  112.02700
   52    64    72    50.00000  109.50000
   52    66    67    55.00000  108.50000
   64    52    53    37.50000  110.70000
   64    70    71    35.00000  117.00000
   64    70    79    70.00000  124.00000
   64    72    81    60.00000  109.50000
   70    64    65    35.00000  109.50000
   70    79    80    35.00000  120.00000
   70    79    88    70.00000  124.00000
   79    70    71    35.00000  120.00000
   79    88    89    35.00000  109.50000
   79    88    90    35.00000  109.50000
   79    88    40    70.00000  112.02700
   88    79    80    35.00000  117.00000
   88    40    41    37.50000  110.70000
   88    40    42    37.50000  110.70000
   90    88    89    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.02700
   40    88    89    37.50000  110.70000
   40    88    90    37.50000  110.70000
   42    40    41    33.00000  107.80000
   72    64    65    35.00000  109.50000
   72    64    70    85.00000  110.90400
   72    81    82    35.00000  109.50000
   72    81    83    35.00000  109.50000
   72    81    84    35.00000  109.50000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    52    53    35.00000  109.50000
   66    52    64    50.00000  109.50000
   54    49    50    37.50000  110.70000
   54    49    52    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   51    47    48    35.00000  109.50000
   51    47    49    70.00000  112.02700
   51    58    59    35.00000  120.00000
   51    58    68    70.00000  124.00000
   51    60    61    35.00000  109.50000
   51    60    62    35.00000  109.50000
   51    60    63    35.00000  109.50000
   58    68    69    35.00000  109.50000
   58    68    73    70.00000  109.06800
   58    68    75    70.00000  112.02700
   68    58    59    35.00000  117.00000
   68    73    74    80.00000  120.40000
   68    73    85    70.00000  116.00000
   68    75    76    37.50000  110.70000
   68    75    77    37.50000  110.70000
   68    75    78    37.50000  110.70000
   73    68    69    35.00000  109.50000
   73    85    86    35.00000  109.50000
   73    85    87    35.00000  109.50000
   73    85    91    63.00000  111.10000
   85    73    74    80.00000  120.40000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    58.35000  112.70000
   87    85    86    33.00000  107.80000
   91    85    86    37.50000  110.70000
   91    85    87    37.50000  110.70000
   91    94    95    37.50000  110.70000
   91    94    96    37.50000  110.70000
   91    94    97    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    97    98    37.50000  110.70000
   94    97    99    58.35000  112.70000
   94    97   108    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    37.50000  110.70000
   97    94    96    37.50000  110.70000
   97    99   100    37.50000  110.70000
   97    99   101    37.50000  110.70000
   97    99   102    63.00000  111.10000
   97   108   106    63.00000  111.10000
   97   108   109    37.50000  110.70000
   97   108   110    37.50000  110.70000
   99    97    98    37.50000  110.70000
   99   102   103    80.00000  120.40000
   99   102   104    70.00000  116.60000
  101    99   100    33.00000  107.80000
  102    99   100    35.00000  109.50000
  102    99   101    35.00000  109.50000
  102   104   105    35.00000  119.80000
  102   104   106    70.00000  121.37400
  104   102   103    80.00000  122.90000
  104   106   107    80.00000  122.90000
  104   106   108    70.00000  116.60000
  106   104   105    35.00000  119.80000
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  108    97    98    37.50000  110.70000
  108    97    99    58.35000  112.70000
  108   106   107    80.00000  120.40000
  110   108   109    33.00000  107.80000
   75    68    69    37.50000  110.70000
   75    68    73    63.00000  111.10000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   60    51    58    70.00000  124.00000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   45    43    44   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    40    88   0.44750  1.0 1.0
   29    33    40    88  -0.17800 -1.0 2.0
   29    33    40    88   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    45   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    88   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33    40    88   0.34400  1.0 1.0
   38    33    40    88   0.09450 -1.0 2.0
   38    33    40    88   0.11100  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    44    47  -2.26850  1.0 1.0
   38    43    44    47   3.39050 -1.0 2.0
   38    43    45    46  -0.66100  1.0 1.0
   38    43    45    46   1.20850 -1.0 2.0
   38    43    45    46  -0.36000  1.0 3.0
   39    38    43    44   7.00000 -1.0 2.0
   39    38    43    45   7.00000 -1.0 2.0
   43    44    47    48   0.08050  1.0 3.0
   43    44    47    49  -0.46850  1.0 1.0
   43    44    47    49   0.09300 -1.0 2.0
   43    44    47    49  -0.12850  1.0 3.0
   43    44    47    51  -0.48150  1.0 1.0
   43    44    47    51   0.09250 -1.0 2.0
   43    44    47    51  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   44    47    49    50   0.23400  1.0 3.0
   44    47    49    52   0.62750  1.0 1.0
   44    47    49    52  -0.30950 -1.0 2.0
   44    47    49    52   0.27300  1.0 3.0
   44    47    49    54   0.62750  1.0 1.0
   44    47    49    54  -0.30950 -1.0 2.0
   44    47    49    54   0.27300  1.0 3.0
   44    47    51    58   0.39000  1.0 1.0
   44    47    51    58  -0.05800 -1.0 2.0
   44    47    51    58  -0.55150  1.0 3.0
   44    47    51    60   0.09700  1.0 1.0
   44    47    51    60   0.15600 -1.0 2.0
   44    47    51    60  -0.50800  1.0 3.0
   47    49    52    53   0.15000  1.0 3.0
   47    49    52    64   0.56750  1.0 1.0
   47    49    52    64  -0.07550 -1.0 2.0
   47    49    52    64   0.20000  1.0 3.0
   47    49    52    66   0.86500  1.0 1.0
   47    49    52    66  -0.17500 -1.0 2.0
   47    49    52    66   0.20800  1.0 3.0
   47    49    54    55   0.15000  1.0 3.0
   47    49    54    56   0.15000  1.0 3.0
   47    49    54    57   0.15000  1.0 3.0
   47    51    58    59   7.00000 -1.0 2.0
   47    51    58    68   7.00000 -1.0 2.0
   47    51    60    61   0.34800  1.0 3.0
   47    51    60    62   0.34800  1.0 3.0
   47    51    60    63   0.34800  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.15000  1.0 3.0
   48    47    49    54   0.15000  1.0 3.0
   48    47    51    58   0.00000  1.0 1.0
   48    47    51    60   0.34800  1.0 3.0
   49    47    51    58   0.09850  1.0 1.0
   49    47    51    58   0.15250 -1.0 2.0
   49    47    51    58  -0.50650  1.0 3.0
   49    47    51    60   0.46850  1.0 1.0
   49    47    51    60   0.08550 -1.0 2.0
   49    47    51    60   0.09800  1.0 3.0
   49    52    64    65   0.15000  1.0 3.0
   49    52    64    70   0.34400  1.0 1.0
   49    52    64    70   0.09450 -1.0 2.0
   49    52    64    70   0.11100  1.0 3.0
   49    52    64    72   0.62750  1.0 1.0
   49    52    64    72  -0.30950 -1.0 2.0
   49    52    64    72   0.27300  1.0 3.0
   49    52    66    67  -0.11600  1.0 1.0
   49    52    66    67  -0.09450 -1.0 2.0
   49    52    66    67   0.21250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    64   0.15000  1.0 3.0
   50    49    52    66   0.23400  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   52    49    54    55   0.15000  1.0 3.0
   52    49    54    56   0.15000  1.0 3.0
   52    49    54    57   0.15000  1.0 3.0
   52    64    70    71   0.00000  1.0 1.0
   52    64    70    79   0.09850  1.0 1.0
   52    64    70    79   0.15250 -1.0 2.0
   52    64    70    79  -0.50650  1.0 3.0
   52    64    72    81   0.06250  1.0 1.0
   52    64    72    81  -0.01100 -1.0 2.0
   52    64    72    81   0.28050  1.0 3.0
   53    52    64    65   0.15000  1.0 3.0
   53    52    64    70   0.15000  1.0 3.0
   53    52    64    72   0.23400  1.0 3.0
   53    52    66    67   0.19450  1.0 3.0
   64    52    66    67  -0.11600  1.0 1.0
   64    52    66    67  -0.09450 -1.0 2.0
   64    52    66    67   0.21250  1.0 3.0
   64    70    79    80   7.00000 -1.0 2.0
   64    70    79    88   7.00000 -1.0 2.0
   64    72    81    82   0.37050  1.0 3.0
   64    72    81    83   0.37050  1.0 3.0
   64    72    81    84   0.37050  1.0 3.0
   65    64    70    71   0.33100  1.0 3.0
   65    64    70    79   0.00000  1.0 1.0
   65    64    72    81   0.37050  1.0 3.0
   70    64    72    81  -0.77900  1.0 1.0
   70    64    72    81  -0.36900 -1.0 2.0
   70    64    72    81   0.40400  1.0 3.0
   70    79    88    89   0.00000  1.0 1.0
   70    79    88    90   0.00000  1.0 1.0
   70    79    88    40   0.09850  1.0 1.0
   70    79    88    40   0.15250 -1.0 2.0
   70    79    88    40  -0.50650  1.0 3.0
   71    70    79    80   7.00000 -1.0 2.0
   71    70    79    88   7.00000 -1.0 2.0
   79    88    40    33   0.34400  1.0 1.0
   79    88    40    33   0.09450 -1.0 2.0
   79    88    40    33   0.11100  1.0 3.0
   79    88    40    41   0.15000  1.0 3.0
   79    88    40    42   0.15000  1.0 3.0
   80    79    88    89   0.33100  1.0 3.0
   80    79    88    90   0.33100  1.0 3.0
   80    79    88    40   0.00000  1.0 1.0
   89    88    40    33   0.15000  1.0 3.0
   89    88    40    41   0.15000  1.0 3.0
   89    88    40    42   0.15000  1.0 3.0
   90    88    40    33   0.15000  1.0 3.0
   90    88    40    41   0.15000  1.0 3.0
   90    88    40    42   0.15000  1.0 3.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    43   0.09850  1.0 1.0
   40    33    38    43   0.15250 -1.0 2.0
   40    33    38    43  -0.50650  1.0 3.0
   72    64    70    71   0.00000  1.0 1.0
   72    64    70    79   0.39000  1.0 1.0
   72    64    70    79  -0.05800 -1.0 2.0
   72    64    70    79  -0.55150  1.0 3.0
   66    52    64    65   0.23400  1.0 3.0
   66    52    64    70   1.05650  1.0 1.0
   66    52    64    70   0.15600 -1.0 2.0
   66    52    64    70   0.53150  1.0 3.0
   66    52    64    72   3.69350  1.0 1.0
   66    52    64    72  -1.82950 -1.0 2.0
   54    49    52    53   0.15000  1.0 3.0
   54    49    52    64   0.56750  1.0 1.0
   54    49    52    64  -0.07550 -1.0 2.0
   54    49    52    64   0.20000  1.0 3.0
   54    49    52    66   0.86500  1.0 1.0
   54    49    52    66  -0.17500 -1.0 2.0
   54    49    52    66   0.20800  1.0 3.0
   51    47    49    50   0.15000  1.0 3.0
   51    47    49    52   0.34400  1.0 1.0
   51    47    49    52   0.09450 -1.0 2.0
   51    47    49    52   0.11100  1.0 3.0
   51    47    49    54   0.34400  1.0 1.0
   51    47    49    54   0.09450 -1.0 2.0
   51    47    49    54   0.11100  1.0 3.0
   51    58    68    69   0.00000  1.0 1.0
   51    58    68    73  -0.51250  1.0 1.0
   51    58    68    73  -0.88800 -1.0 2.0
   51    58    68    73   0.08850  1.0 3.0
   51    58    68    75   0.09850  1.0 1.0
   51    58    68    75   0.15250 -1.0 2.0
   51    58    68    75  -0.50650  1.0 3.0
   58    51    60    61   0.00000  1.0 1.0
   58    51    60    62   0.00000  1.0 1.0
   58    51    60    63   0.00000  1.0 1.0
   58    68    73    74   0.30150 -1.0 2.0
   58    68    73    85   0.65300  1.0 1.0
   58    68    73    85  -0.03850 -1.0 2.0
   58    68    73    85   0.33900  1.0 3.0
   58    68    75    76   0.15000  1.0 3.0
   58    68    75    77   0.15000  1.0 3.0
   58    68    75    78   0.15000  1.0 3.0
   59    58    68    69   0.33100  1.0 3.0
   59    58    68    73   0.00000  1.0 1.0
   59    58    68    75   0.00000  1.0 1.0
   68    73    85    86   0.00000  1.0 1.0
   68    73    85    87   0.00000  1.0 1.0
   68    73    85    91   0.60050  1.0 1.0
   68    73    85    91   0.05600 -1.0 2.0
   68    73    85    91   0.26150  1.0 3.0
   69    68    73    74   0.00000  1.0 1.0
   69    68    73    85   0.00000  1.0 1.0
   69    68    75    76   0.15000  1.0 3.0
   69    68    75    77   0.15000  1.0 3.0
   69    68    75    78   0.15000  1.0 3.0
   73    68    75    76  -0.11250  1.0 3.0
   73    68    75    77  -0.11250  1.0 3.0
   73    68    75    78  -0.11250  1.0 3.0
   73    85    91    92  -0.11250  1.0 3.0
   73    85    91    93  -0.11250  1.0 3.0
   73    85    91    94  -0.95700  1.0 1.0
   73    85    91    94  -0.18200 -1.0 2.0
   73    85    91    94   0.29450  1.0 3.0
   74    73    85    86   0.00000  1.0 1.0
   74    73    85    87   0.00000  1.0 1.0
   74    73    85    91   0.30150 -1.0 2.0
   85    91    94    95   0.15000  1.0 3.0
   85    91    94    96   0.15000  1.0 3.0
   85    91    94    97   0.56750  1.0 1.0
   85    91    94    97  -0.07550 -1.0 2.0
   85    91    94    97   0.20000  1.0 3.0
   86    85    91    92   0.15000  1.0 3.0
   86    85    91    93   0.15000  1.0 3.0
   86    85    91    94   0.15000  1.0 3.0
   87    85    91    92   0.15000  1.0 3.0
   87    85    91    93   0.15000  1.0 3.0
   87    85    91    94   0.15000  1.0 3.0
   91    94    97    98   0.15000  1.0 3.0
   91    94    97    99   0.56750  1.0 1.0
   91    94    97    99  -0.07550 -1.0 2.0
   91    94    97    99   0.20000  1.0 3.0
   91    94    97   108   0.56750  1.0 1.0
   91    94    97   108  -0.07550 -1.0 2.0
   91    94    97   108   0.20000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    96   0.15000  1.0 3.0
   92    91    94    97   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    96   0.15000  1.0 3.0
   93    91    94    97   0.15000  1.0 3.0
   94    97    99   100   0.15000  1.0 3.0
   94    97    99   101   0.15000  1.0 3.0
   94    97    99   102  -0.95700  1.0 1.0
   94    97    99   102  -0.18200 -1.0 2.0
   94    97    99   102   0.29450  1.0 3.0
   94    97   108   106  -0.95700  1.0 1.0
   94    97   108   106  -0.18200 -1.0 2.0
   94    97   108   106   0.29450  1.0 3.0
   94    97   108   109   0.15000  1.0 3.0
   94    97   108   110   0.15000  1.0 3.0
   95    94    97    98   0.15000  1.0 3.0
   95    94    97    99   0.15000  1.0 3.0
   95    94    97   108   0.15000  1.0 3.0
   96    94    97    98   0.15000  1.0 3.0
   96    94    97    99   0.15000  1.0 3.0
   96    94    97   108   0.15000  1.0 3.0
   97    99   102   103   0.30150 -1.0 2.0
   97    99   102   104   1.39750  1.0 1.0
   97    99   102   104  -0.07950 -1.0 2.0
   97    99   102   104  -0.18750  1.0 3.0
   98    97    99   100   0.15000  1.0 3.0
   98    97    99   101   0.15000  1.0 3.0
   98    97    99   102  -0.11250  1.0 3.0
   98    97   108   106  -0.11250  1.0 3.0
   98    97   108   109   0.15000  1.0 3.0
   98    97   108   110   0.15000  1.0 3.0
   99    97   108   106  -0.95700  1.0 1.0
   99    97   108   106  -0.18200 -1.0 2.0
   99    97   108   106   0.29450  1.0 3.0
   99    97   108   109   0.15000  1.0 3.0
   99    97   108   110   0.15000  1.0 3.0
   99   102   104   105   2.45000 -1.0 2.0
   99   102  -104   106   2.45000 -1.0 2.0
  100    99   102   103   0.00000  1.0 1.0
  100    99   102   104   0.00000  1.0 1.0
  101    99   102   103   0.00000  1.0 1.0
  101    99   102   104   0.00000  1.0 1.0
  102   104   106   107   2.22250 -1.0 2.0
  102   104   106   108   2.45000 -1.0 2.0
  103   102   104   105   2.45000 -1.0 2.0
  103   102   104   106   2.22250 -1.0 2.0
  104   106  -108    97   1.39750  1.0 1.0
  104   106  -108    97  -0.07950 -1.0 2.0
  104   106  -108    97  -0.18750  1.0 3.0
  104   106   108   109   0.00000  1.0 1.0
  104   106   108   110   0.00000  1.0 1.0
  105   104   106   107   2.45000 -1.0 2.0
  105   104   106   108   2.45000 -1.0 2.0
  107   106   108    97   0.30150 -1.0 2.0
  107   106   108   109   0.00000  1.0 1.0
  107   106   108   110   0.00000  1.0 1.0
  108    97    99   100   0.15000  1.0 3.0
  108    97    99   101   0.15000  1.0 3.0
  108    97   -99   102  -0.95700  1.0 1.0
  108    97   -99   102  -0.18200 -1.0 2.0
  108    97   -99   102   0.29450  1.0 3.0
   75    68    73    74   0.30150 -1.0 2.0
   75    68    73    85   0.60050  1.0 1.0
   75    68    73    85   0.05600 -1.0 2.0
   75    68    73    85   0.26150  1.0 3.0
   60    51    58    59   7.00000 -1.0 2.0
   60    51    58    68   7.00000 -1.0 2.0
   45    43    44    47   2.00000 -1.0 2.0
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    43   1.10000 -1.0 2.0
   44    45    43    38   1.10000 -1.0 2.0
   64    71    70    79   1.10000 -1.0 2.0
   88    80    79    70   1.10000 -1.0 2.0
   47    60    51    58  15.00000 -1.0 2.0
   68    59    58    51  15.00000 -1.0 2.0
   68    85    73    74  10.50000 -1.0 2.0
   99   104   102   103  10.50000 -1.0 2.0
  105   102   104   106   1.00000 -1.0 2.0
  104   108   106   107  10.50000 -1.0 2.0
END
