* LIGAND DATABASE FILE (OPLS2005)
*
001     120   125    227    360     660
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02038    79.91746    55.22276
    3     1 S   H    _H1_     3     1.02129    36.16467  -162.13966
    4     1 S   H    _H2_     4     1.02080    98.75700   -52.32623
    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     1.08638   110.54412    58.84088
   26    24 S   HC   HB22    34     1.08575   109.90351   179.01802
   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   _C35    36     1.81961    98.25174  -178.18501
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C32    37     1.53415   113.95368   159.96171
   38    33 S   OH   _O38   119     1.42060   110.61817    40.05208
   39    38 S   HO   _H34   120     0.97045   106.80726  -175.65310
   40    37 S   CM   _C15    38     1.45899   106.76317   144.71652
   41    37 S   CO4  _C33    69     1.34006   127.72269   -34.76151
   42    41 S   O    _O36    70     1.27344   124.53621    -0.64468
   43    40 S   CD   _C16    39     1.33829   130.55150   167.88794
   44    40 S   CD   _C14    84     1.47405   107.50824   -11.21774
   45    43 S   CT   _C17    40     1.50892   124.45560    -0.05595
   46    33 S   CT   _C13    85     1.54678   108.52374   -84.40596
   47    46 S   HC   _H15    86     1.10275   111.04720   -41.04270
   48    45 S   CT   _C18    41     1.53996   100.84724   158.31574
   49    48 S   HC   _H6_    42     1.13248   107.91410   -95.45795
   50    45 S   HC   _H5_    67     1.06186   108.81608    41.76393
   51    45 S   CT   _C29    75     1.52921   110.69887   -78.75310
   52    51 S   HC   _H27    76     1.08721   108.06378    80.03271
   53    51 S   HC   _H28    77     1.08922   106.91255  -163.91175
   54    46 S   CT   _C12    87     1.52712   127.28746    96.42653
   55    54 S   HC   _H4_    88     1.09703   109.46051  -100.67091
   56    48 S   CM   _C19    43     1.51522   100.28030    18.14835
   57    48 S   CT   _C28    63     1.51978   116.05971   142.61598
   58    57 S   HC   _H24    64     1.08971   109.88332   -58.37286
   59    57 S   HC   _H25    65     1.08958   109.89806  -178.31542
   60    57 S   HC   _H26    66     1.08883   109.94439    61.65188
   61    50 S   OH   _O37    68     1.18407   125.14619   -69.49734
   62    51 S   CT   _C30    78     1.51569   111.67812   -43.69490
   63    62 S   HC   _H29    79     1.09720   107.63580   -59.39442
   64    62 S   HC   _H30    80     1.09697   110.15000    56.98398
   65    54 S   CT   _C11    89     1.55050    99.89651   144.73822
   66    65 S   HC   _H3_    90     1.09871   109.15967    80.19070
   67    54 S   CT   _C36   115     1.52477   116.99859    20.96172
   68    67 S   HC   _H35   116     1.08906   109.94497    56.94401
   69    67 S   HC   _H36   117     1.09002   109.93913   -63.00468
   70    67 S   HC   _H37   118     1.08934   109.91239   177.04554
   71    43 S   NI   _N6_    44     1.37339   123.21753   177.90277
   72    56 S   CM   _C20    45     1.46814   121.44002   169.12228
   73    72 S   HC   _H16    46     1.07767   118.50124   -59.96190
   74    61 S   CT   _C34    71     1.42714    98.14667  -130.39368
   75    74 S   HC   _H31    72     1.09327   109.48008     4.11547
   76    74 S   HC   _H32    73     1.09238   109.51057  -116.62780
   77    74 S   HC   _H33    74     1.09259   108.94178   123.68345
   78    62 S   CO3  _C31    81     1.53317   116.87514  -178.58307
   79    78 S   O2Z  _O35    82     1.26185   116.45950  -179.97202
   80    78 S   O2Z  _O34    83     1.26393   114.23006    -0.68500
   81    44 S   NI   _N5_    91     1.28922   131.96849   169.58973
   82    65 S   CT   _C10    92     1.52035   116.55251  -156.95278
   83    82 S   HC   _H13    93     1.09236   110.40767    76.40598
   84    82 S   HC   _H14    94     1.09235   110.22994   -43.72623
   85    72 S   C5A  _C21    47     1.33102   118.56000   119.97904
   86    82 S   C5A  _C9_    95     1.49037   110.31497  -163.37422
   87    85 S   C5BC _C22    48     1.44845   129.52955  -179.97202
   88    86 S   C5BC _C6_    96     1.47231   126.84932    88.85998
   89    87 S   C5BC _C23    49     1.34763   110.07825  -179.95154
   90    87 S   CT   _C27    59     1.49279   121.82407     0.10087
   91    90 S   HC   _H21    60     1.08984   109.86413   -90.09071
   92    90 S   HC   _H22    61     1.09057   109.85462   149.75595
   93    90 S   HC   _H23    62     1.08950   109.83851    30.09901
   94    88 S   C5BC _C7_    97     1.34695   102.61390   179.93744
   95    88 S   CT   _C5_   108     1.47824   124.80559    -0.06853
   96    95 S   HC   _H10   109     1.09896   109.17756  -148.53199
   97    95 S   HC   _H11   110     1.09846   108.84850   -31.09319
   98    89 S   C5A  _C24    50     1.49288   106.52988    -0.00000
   99    98 S   OM   _O33    51     1.21891   125.88743  -179.97202
  100    89 S   CM   _C25    54     1.42734   130.20132  -179.96044
  101   100 S   HC   _H18    55     1.09857   120.31258   140.05134
  102    94 S   C5A  _C8_    98     1.44355   109.47012    -0.00000
  103    94 S   CT   _C38   104     1.48817   128.35542   180.00000
  104   103 S   HC   _H39   105     1.09132   110.02294    89.99244
  105   103 S   HC   _H40   106     1.09171   110.09445   -30.16217
  106   103 S   HC   _H41   107     1.09178   110.04205  -149.79762
  107    95 S   CT   _C4_   111     1.51942   111.02309    90.04208
  108   107 S   HC   _H7_   112     1.09434   110.95623   -59.00369
  109   107 S   HC   _H8_   113     1.09516   110.73221  -179.36173
  110   107 S   HC   _H9_   114     1.09488   110.86907    61.29137
  111    85 S   NA   _N7_    52     1.36495   124.16641     0.06561
  112   111 S   H    _H17    53     1.01355   124.28733    -0.07662
  113   100 S   CM   _C26    56     1.35071   120.12122   -40.05255
  114   113 S   HC   _H19    57     1.08467   121.06982  -179.97202
  115   113 S   HC   _H20    58     1.08407   121.28951     0.05935
  116    86 S   NA   _N4_    99     1.28432   119.69673   -91.22388
  117   116 S   H    _H12   100     1.01662   128.20660    -0.00000
  118   102 S   CO4  _C37   101     1.44804   128.30936  -180.00000
  119   118 S   O    _O39   102     1.23400   123.22568   180.00000
  120   118 S   HC   _H38   103     1.10967   115.90434    -0.01978
  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  10   5   4   3
  16   2   1   1  16   7   1  16  11   3  16  11  19  11   5  16
   9  12  12   5   4  12   8  10   5   2   1   1   4   5   4   3
  12   6   5   2   1   1   3   8   3   3   2   1   1   2   1   1
   4   9   4   3  11  11  12  16  13   6   2   1   1  14   9   5
   4   6   3   5   3   9   5   2   1   1   3   2   1   1   1   1
   2   1   1   4   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    46    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    41    44    46    47    54    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    43    61    41    42    44    46    47    54    55    65    81    67    38    39  
   35    36  
   36  
    0  
   40    43    45    71    50    61    41    42    74    44    46    47    54    81    38    39  
   39    40    41    44    46    47    54  
   46  
   43    45    48    56    71    50    61    41    42    51    44    46    47    54    65    81  
   42    74    75    76    77    44    46    43    45    50    61  
   74    50    61  
   45    48    49    56    71    72    57    50    61    51    52    53    62    44    46    81  
   46    47    54    55    65    66    81    82    67    45    71  
   48    49    56    71    72    57    58    59    60    50    61    74    51    52    53    62    63    64    78  
   47    54    55    65    66    81    82    67    68    69    70  
   54    55    65    81    67  
   49    56    71    72    73    85    57    58    59    60    50    61    51    52    53    62  
   56    71    72    57    58    59    60    50    51  
   61    74    75    76    77    51    52    53    62    56    57    71  
   52    53    62    63    64    78    79    80    56    57    61    71  
   53    62    63    64    78  
   62    63    64    78  
   55    65    66    81    82    83    84    86    67    68    69    70  
   65    66    81    82    67    68    69    70  
   71    72    73    85    87   111    57    58    59    60  
   58    59    60    71    72  
   59    60  
   60  
    0  
   74    75    76    77  
   63    64    78    79    80  
   64    78    79    80  
   78    79    80  
   66    81    82    83    84    86    88   116    67    68    69    70  
   81    82    83    84    86    67  
   68    69    70    81    82  
   69    70  
   70  
    0  
   72    73    85  
   73    85    87    89    98   111   112    90  
   85    87   111  
   75    76    77  
   76    77  
   77  
    0  
   79    80  
   80  
    0  
   82    83    84    86  
   83    84    86    88    94   102   116   117    95  
   84    86    88   116  
   86    88   116  
   87    89    98    99   111   112   100    90    91    92    93  
   88    94   102   116   117   118   103    95    96    97   107  
   89    98    99   111   112   100   101   113    90    91    92    93  
   94   102   116   117   118   103   104   105   106    95    96    97   107   108   109   110  
   98    99   111   112   100   101   113   114   115    90    91    92    93  
   91    92    93    98   100   111  
   92    93  
   93  
    0  
  102   116   117   118   119   120   103   104   105   106    95    96    97   107  
   96    97   107   108   109   110   102   103   116  
   97   107   108   109   110  
  107   108   109   110  
   99   111   112   100   101   113  
  111   112   100  
  101   113   114   115   111  
  113   114   115  
  116   117   118   119   120   103   104   105   106  
  104   105   106   116   118  
  105   106  
  106  
    0  
  108   109   110  
  109   110  
  110  
    0  
  112  
    0  
  114   115  
  115  
    0  
  117   118   119   120  
  118  
  119   120  
  120  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760  -0.006600   2.0020   1.7750   0.023028004  -0.852763146
   41   3.7500   0.1050   0.302500   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   43   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.655000   1.7000   1.5000   0.001000000  -0.126889456
   62   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.160200   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.175000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   81   3.2800   0.1700  -0.609900   1.8540   1.6400   0.005000000   0.000000000
   82   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0700  -0.008000   2.0020   1.7750   0.001000000  -0.843144165
   86   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
   87   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   88   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   89   3.5500   0.0700  -0.031000   2.0020   1.7750   0.001000000  -0.843144165
   90   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
   95   3.5000   0.0660  -0.005000   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   3.5500   0.0700  -0.178000   2.5000   1.7750   0.001000000  -0.843144165
   99   3.1500   0.2500  -0.430000   1.7825   1.5750   0.001000000  -0.126889456
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
  103   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.2500   0.1700  -0.639000   1.8650   1.6500   0.001000000  -0.511443539
  112   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  113   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
  114   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  115   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  116   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
  117   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  118   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
  119   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
  120   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    46   268.000  1.529
   33    38   320.000  1.410
   37    40   549.000  1.340
   37    41   320.000  1.462
   40    43   320.000  1.464
   40    44   320.000  1.464
   43    45   270.000  1.508
   43    71   500.000  1.261
   45    48   268.000  1.529
   45    50   340.000  1.090
   45    51   268.000  1.529
   48    49   340.000  1.090
   48    56   317.000  1.510
   48    57   268.000  1.529
   56    71   405.000  1.380
   56    72   549.000  1.340
   72    73   340.000  1.080
   72    85   375.000  1.423
   85    87   546.000  1.367
   85   111   427.000  1.381
   87    89   469.000  1.424
   87    90   285.000  1.502
   89    98   546.000  1.367
   89   100   320.000  1.460
   98    99   485.000  1.345
   98   111   427.000  1.381
  111   112   434.000  1.010
  100   101   340.000  1.080
  100   113   549.000  1.340
  113   114   340.000  1.080
  113   115   340.000  1.080
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   50    61   665.000  0.945
   61    41   450.000  1.364
   61    74   320.000  1.410
   41    42   570.000  1.229
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    78   317.000  1.522
   78    79   656.000  1.250
   78    80   656.000  1.250
   44    46   270.000  1.508
   44    81   500.000  1.261
   46    47   340.000  1.090
   46    54   268.000  1.529
   54    55   340.000  1.090
   54    65   268.000  1.529
   54    67   268.000  1.529
   65    66   340.000  1.090
   65    81   315.000  1.435
   65    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    86   295.000  1.489
   86    88   546.000  1.367
   86   116   427.000  1.381
   88    94   469.000  1.424
   88    95   285.000  1.502
   94   102   546.000  1.367
   94   103   285.000  1.502
  102   116   427.000  1.381
  102   118   335.000  1.450
  116   117   434.000  1.010
  118   119   570.000  1.229
  118   120   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   95    96   340.000  1.090
   95    97   340.000  1.090
   95   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   38    39   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    46    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    41    65.00000  116.34900
   33    46    44    70.00000  111.76100
   33    46    47    37.50000  110.70000
   33    46    54    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    43    60.00000  120.31500
   37    40    44    60.00000  120.31500
   37    41    61    90.00000  111.55000
   37    41    42    80.00000  123.72100
   40    43    45    65.00000  117.24000
   40    43    71    70.00000  121.86000
   40    44    46    65.00000  117.24000
   40    44    81    70.00000  121.86000
   43    45    48    70.00000  111.76100
   43    45    50    45.00000  109.49600
   43    45    51    70.00000  111.76100
   43    71    56    75.00000  115.77100
   45    48    49    37.50000  110.70000
   45    48    56    70.00000  112.02700
   45    48    57    58.35000  112.70000
   45    50    61    60.00000  109.50000
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    62    58.35000  112.70000
   48    56    71    65.00000  119.96000
   48    56    72    70.00000  124.00000
   48    57    58    37.50000  110.70000
   48    57    59    37.50000  110.70000
   48    57    60    37.50000  110.70000
   56    48    49    35.00000  109.50000
   56    72    73    35.00000  120.00000
   56    72    85    55.00000  128.24000
   71    43    45    65.00000  122.10100
   72    56    71    70.00000  120.83400
   72    85    87    50.00000  133.16000
   72    85   111    70.00000  120.38000
   85    72    73    40.00000  117.26300
   85    87    89    70.00000  107.30000
   85    87    90    60.00000  130.00000
   85   111    98    70.00000  109.80000
   85   111   112    35.00000  120.00000
   87    89    98    70.00000  107.30000
   87    89   100    60.00000  120.93500
   87    90    91    35.00000  109.50000
   87    90    92    35.00000  109.50000
   87    90    93    35.00000  109.50000
   89    98    99    70.00000  112.00000
   89    98   111    70.00000  107.70000
   89   100   101    40.00000  117.26300
   89   100   113    60.00000  123.20500
   98   111   112    35.00000  120.00000
  111    85    87    70.00000  107.70000
  111    98    99    90.00000  118.26000
  100    89    98    60.00000  120.93500
  100   113   114    35.00000  120.00000
  100   113   115    35.00000  120.00000
  113   100   101    35.00000  120.00000
  115   113   114    35.00000  117.00000
   90    87    89    60.00000  130.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   57    48    49    37.50000  110.70000
   57    48    56    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   50    45    48    37.50000  110.70000
   50    61    41    35.00000  113.00000
   50    61    74    55.00000  108.00000
   61    41    42   100.00000  123.32000
   61    74    75    35.00000  109.50000
   61    74    76    35.00000  109.50000
   61    74    77    35.00000  109.50000
   41    37    40    65.00000  118.96000
   74    61    41    83.00000  116.90000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   51    45    48    58.35000  112.70000
   51    45    50    37.50000  110.70000
   51    62    63    37.50000  110.70000
   51    62    64    37.50000  110.70000
   51    62    78    70.00000  109.69300
   53    51    52    33.00000  107.80000
   62    51    52    37.50000  110.70000
   62    51    53    37.50000  110.70000
   62    78    79    70.00000  117.00000
   62    78    80    70.00000  117.00000
   64    62    63    33.00000  107.80000
   78    62    63    35.00000  109.50000
   78    62    64    35.00000  109.50000
   80    78    79    80.00000  126.00000
   44    40    43    60.00000  120.31500
   44    46    47    45.00000  109.49600
   44    46    54    70.00000  111.76100
   44    81    65    70.00000  113.48600
   46    33    37    70.00000  112.02700
   46    54    55    37.50000  110.70000
   46    54    65    58.35000  112.70000
   46    54    67    58.35000  112.70000
   54    46    47    37.50000  110.70000
   54    65    66    37.50000  110.70000
   54    65    81    80.00000  110.18800
   54    65    82    58.35000  112.70000
   54    67    68    37.50000  110.70000
   54    67    69    37.50000  110.70000
   54    67    70    37.50000  110.70000
   65    54    55    37.50000  110.70000
   65    82    83    37.50000  110.70000
   65    82    84    37.50000  110.70000
   65    82    86    70.00000  113.44400
   81    44    46    65.00000  122.10100
   81    65    66    50.00000  110.29200
   82    65    66    37.50000  110.70000
   82    65    81    80.00000  110.18800
   82    86    88    50.00000  133.50000
   82    86   116    65.00000  122.56900
   84    82    83    33.00000  107.80000
   86    82    83    45.00000  110.47400
   86    82    84    45.00000  110.47400
   86    88    94    70.00000  107.30000
   86    88    95    60.00000  130.00000
   86   116   102    70.00000  109.80000
   86   116   117    35.00000  120.00000
   88    94   102    70.00000  107.30000
   88    94   103    60.00000  130.00000
   88    95    96    35.00000  109.50000
   88    95    97    35.00000  109.50000
   88    95   107    70.00000  112.17500
   94   102   116    70.00000  107.70000
   94   102   118    55.00000  130.80000
   94   103   104    35.00000  109.50000
   94   103   105    35.00000  109.50000
   94   103   106    35.00000  109.50000
  102   116   117    35.00000  120.00000
  102   118   119    80.00000  122.40000
  102   118   120    35.00000  115.00000
  116    86    88    70.00000  107.70000
  118   102   116    70.00000  119.02500
  120   118   119    35.00000  123.00000
  103    94   102    60.00000  130.00000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   95    88    94    60.00000  130.00000
   95   107   108    37.50000  110.70000
   95   107   109    37.50000  110.70000
   95   107   110    37.50000  110.70000
   97    95    96    33.00000  107.80000
  107    95    96    37.50000  110.70000
  107    95    97    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
   67    54    55    37.50000  110.70000
   67    54    65    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    46    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
    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  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    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    54   0.44750  1.0 1.0
   29    33    46    54  -0.17800 -1.0 2.0
   29    33    46    54   0.20200  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    43   7.00000 -1.0 2.0
   33    37   -40    44   7.00000 -1.0 2.0
   33    37    41    61  -0.23000  1.0 1.0
   33    37    41    61   0.83800 -1.0 2.0
   33    37    41    61   0.07650  1.0 3.0
   33    37    41    42  -0.64400  1.0 1.0
   33    37    41    42   0.26850 -1.0 2.0
   33    46    54    55   0.15000  1.0 3.0
   33    46    54    65   0.56750  1.0 1.0
   33    46    54    65  -0.07550 -1.0 2.0
   33    46    54    65   0.20000  1.0 3.0
   33    46    54    67   0.56750  1.0 1.0
   33    46    54    67  -0.07550 -1.0 2.0
   33    46    54    67   0.20000  1.0 3.0
   37    33   -46    44   0.31000  1.0 1.0
   37    33   -46    44   0.14700 -1.0 2.0
   37    33   -46    44   0.07550  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    54   0.34400  1.0 1.0
   37    33    46    54   0.09450 -1.0 2.0
   37    33    46    54   0.11100  1.0 3.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40    43    45   0.69550 -1.0 2.0
   37    40    43    71   1.09650  1.0 1.0
   37    40    43    71   0.48950 -1.0 2.0
   37    40    43    71   0.49400  1.0 3.0
   37    40   -44    46   0.69550 -1.0 2.0
   37    40    44    81   1.09650  1.0 1.0
   37    40    44    81   0.48950 -1.0 2.0
   37    40    44    81   0.49400  1.0 3.0
   40    37    41    61  -0.01000  1.0 1.0
   40    37    41    61   1.29850 -1.0 2.0
   40    37    41    61  -0.09550  1.0 3.0
   40    37    41    42   1.00000 -1.0 2.0
   40    43    45    48   0.09850  1.0 1.0
   40    43    45    48   0.15250 -1.0 2.0
   40    43    45    48  -0.50650  1.0 3.0
   40    43    45    50   0.00000  1.0 1.0
   40    43    45    51   0.09850  1.0 1.0
   40    43    45    51   0.15250 -1.0 2.0
   40    43    45    51  -0.50650  1.0 3.0
   40    43    71    56   6.00000 -1.0 2.0
   40    44   -46    33   0.09850  1.0 1.0
   40    44   -46    33   0.15250 -1.0 2.0
   40    44   -46    33  -0.50650  1.0 3.0
   40    44    46    47   0.00000  1.0 1.0
   40    44    46    54   0.09850  1.0 1.0
   40    44    46    54   0.15250 -1.0 2.0
   40    44    46    54  -0.50650  1.0 3.0
   40    44    81    65   6.00000 -1.0 2.0
   43    40    44    46   0.69550 -1.0 2.0
   43    40    44    81   1.09650  1.0 1.0
   43    40    44    81   0.48950 -1.0 2.0
   43    40    44    81   0.49400  1.0 3.0
   43    45    48    49   0.15000  1.0 3.0
   43    45   -48    56   0.31000  1.0 1.0
   43    45   -48    56   0.14700 -1.0 2.0
   43    45   -48    56   0.07550  1.0 3.0
   43    45    48    57   0.34400  1.0 1.0
   43    45    48    57   0.09450 -1.0 2.0
   43    45    48    57   0.11100  1.0 3.0
   43    45    50    61   0.00000  1.0 1.0
   43    45    51    52   0.15000  1.0 3.0
   43    45    51    53   0.15000  1.0 3.0
   43    45    51    62   0.34400  1.0 1.0
   43    45    51    62   0.09450 -1.0 2.0
   43    45    51    62   0.11100  1.0 3.0
   45    43   -71    56   6.00000 -1.0 2.0
   45    48   -56    71   0.09700  1.0 1.0
   45    48   -56    71   0.15600 -1.0 2.0
   45    48   -56    71  -0.50800  1.0 3.0
   45    48    56    72   0.09850  1.0 1.0
   45    48    56    72   0.15250 -1.0 2.0
   45    48    56    72  -0.50650  1.0 3.0
   45    48    57    58   0.15000  1.0 3.0
   45    48    57    59   0.15000  1.0 3.0
   45    48    57    60   0.15000  1.0 3.0
   45    50    61    41   0.00000  1.0 1.0
   45    50    61    74   0.00000  1.0 1.0
   45    51    62    63   0.15000  1.0 3.0
   45    51    62    64   0.15000  1.0 3.0
   45    51    62    78  -1.63150  1.0 1.0
   45    51    62    78  -0.43550 -1.0 2.0
   45    51    62    78   0.24500  1.0 3.0
   48    45    50    61   0.00000  1.0 1.0
   48    45    51    52   0.15000  1.0 3.0
   48    45    51    53   0.15000  1.0 3.0
   48    45    51    62   0.56750  1.0 1.0
   48    45    51    62  -0.07550 -1.0 2.0
   48    45    51    62   0.20000  1.0 3.0
   48    56   -71    43   1.00000 -1.0 2.0
   48    56    72    73   7.00000 -1.0 2.0
   48    56    72    85   7.00000 -1.0 2.0
   49    48    56    71   0.00000  1.0 1.0
   49    48    56    72   0.00000  1.0 1.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    59   0.15000  1.0 3.0
   49    48    57    60   0.15000  1.0 3.0
   56    48    57    58   0.15000  1.0 3.0
   56    48    57    59   0.15000  1.0 3.0
   56    48    57    60   0.15000  1.0 3.0
   56    72    85    87   0.15800  1.0 1.0
   56    72    85    87   1.85350 -1.0 2.0
   56    72    85    87  -0.48700  1.0 3.0
   56    72    85   111   0.11450  1.0 1.0
   56    72    85   111   1.85100 -1.0 2.0
   56    72    85   111  -0.49050  1.0 3.0
   71    43   -45    48   0.00000  1.0 1.0
   71    43    45    50   0.00000  1.0 1.0
   71    43    45    51   0.00000  1.0 1.0
   71    56    72    73   7.00000 -1.0 2.0
   71    56    72    85   7.00000 -1.0 2.0
   72    56    71    43   1.00000 -1.0 2.0
   72    85    87    89   3.62500 -1.0 2.0
   72    85    87    90   3.62500 -1.0 2.0
   72    85   111    98   3.62500 -1.0 2.0
   72    85   111   112   2.00000 -1.0 2.0
   73    72    85    87   0.56550  1.0 3.0
   73    72    85   111   0.54250  1.0 3.0
   85    87   -89    98   3.62500 -1.0 2.0
   85    87    89   100   3.62500 -1.0 2.0
   85    87    90    91   0.00000  1.0 1.0
   85    87    90    92   0.00000  1.0 1.0
   85    87    90    93   0.00000  1.0 1.0
   87    85  -111    98   3.62500 -1.0 2.0
   87    85   111   112   2.00000 -1.0 2.0
   87    89    98    99   3.62500 -1.0 2.0
   87    89   -98   111   3.62500 -1.0 2.0
   87    89   100   101   0.56550  1.0 3.0
   87    89   100   113   0.15800  1.0 1.0
   87    89   100   113   1.85350 -1.0 2.0
   87    89   100   113  -0.48700  1.0 3.0
   89    87    90    91   0.00000  1.0 1.0
   89    87    90    92   0.00000  1.0 1.0
   89    87    90    93   0.00000  1.0 1.0
   89    98  -111    85   3.62500 -1.0 2.0
   89    98   111   112   2.00000 -1.0 2.0
   89   100   113   114   7.00000 -1.0 2.0
   89   100   113   115   7.00000 -1.0 2.0
   98    89   100   101   0.56550  1.0 3.0
   98    89   100   113   0.15800  1.0 1.0
   98    89   100   113   1.85350 -1.0 2.0
   98    89   100   113  -0.48700  1.0 3.0
   99    98   111    85   3.62500 -1.0 2.0
   99    98   111   112   2.00000 -1.0 2.0
  111    85   -87    89   3.62500 -1.0 2.0
  111    85    87    90   3.62500 -1.0 2.0
  100    89    98    99   3.62500 -1.0 2.0
  100    89    98   111   3.62500 -1.0 2.0
  101   100   113   114   7.00000 -1.0 2.0
  101   100   113   115   7.00000 -1.0 2.0
   90    87    89    98   3.62500 -1.0 2.0
   90    87    89   100   3.62500 -1.0 2.0
   57    48    56    71   0.09700  1.0 1.0
   57    48    56    71   0.15600 -1.0 2.0
   57    48    56    71  -0.50800  1.0 3.0
   57    48    56    72   0.09850  1.0 1.0
   57    48    56    72   0.15250 -1.0 2.0
   57    48    56    72  -0.50650  1.0 3.0
   50    45    48    49   0.15000  1.0 3.0
   50    45    48    56   0.15000  1.0 3.0
   50    45    48    57   0.15000  1.0 3.0
   50    45    51    52   0.15000  1.0 3.0
   50    45    51    53   0.15000  1.0 3.0
   50    45    51    62   0.15000  1.0 3.0
   50    61    41    37   2.00000 -1.0 2.0
   50    61    41    42   3.00000 -1.0 2.0
   50    61    74    75   0.37500  1.0 3.0
   50    61    74    76   0.37500  1.0 3.0
   50    61    74    77   0.37500  1.0 3.0
   41    37    40    43   7.00000 -1.0 2.0
   41    37    40    44   7.00000 -1.0 2.0
   41    61    74    75   0.08050  1.0 3.0
   41    61    74    76   0.08050  1.0 3.0
   41    61    74    77   0.08050  1.0 3.0
   74    61    41    37   2.00000 -1.0 2.0
   74    61    41    42   3.00000 -1.0 2.0
   51    45    48    49   0.15000  1.0 3.0
   51    45    48    56   0.34400  1.0 1.0
   51    45    48    56   0.09450 -1.0 2.0
   51    45    48    56   0.11100  1.0 3.0
   51    45    48    57   0.56750  1.0 1.0
   51    45    48    57  -0.07550 -1.0 2.0
   51    45    48    57   0.20000  1.0 3.0
   51    45    50    61   0.00000  1.0 1.0
   51    62    78    79   0.41150 -1.0 2.0
   51    62    78    80   0.41150 -1.0 2.0
   52    51    62    63   0.15000  1.0 3.0
   52    51    62    64   0.15000  1.0 3.0
   52    51    62    78  -0.11250  1.0 3.0
   53    51    62    63   0.15000  1.0 3.0
   53    51    62    64   0.15000  1.0 3.0
   53    51    62    78  -0.11250  1.0 3.0
   63    62    78    79   0.00000  1.0 1.0
   63    62    78    80   0.00000  1.0 1.0
   64    62    78    79   0.00000  1.0 1.0
   64    62    78    80   0.00000  1.0 1.0
   44    40    43    45   0.69550 -1.0 2.0
   44    40    43    71   1.09650  1.0 1.0
   44    40    43    71   0.48950 -1.0 2.0
   44    40    43    71   0.49400  1.0 3.0
   44    46    54    55   0.15000  1.0 3.0
   44    46   -54    65   0.34400  1.0 1.0
   44    46   -54    65   0.09450 -1.0 2.0
   44    46   -54    65   0.11100  1.0 3.0
   44    46    54    67   0.34400  1.0 1.0
   44    46    54    67   0.09450 -1.0 2.0
   44    46    54    67   0.11100  1.0 3.0
   46    33   -37    40   0.09850  1.0 1.0
   46    33   -37    40   0.15250 -1.0 2.0
   46    33   -37    40  -0.50650  1.0 3.0
   46    33    37    41   0.09700  1.0 1.0
   46    33    37    41   0.15600 -1.0 2.0
   46    33    37    41  -0.50800  1.0 3.0
   46    33    38    39  -0.11600  1.0 1.0
   46    33    38    39  -0.09450 -1.0 2.0
   46    33    38    39   0.21250  1.0 3.0
   46    44   -81    65   6.00000 -1.0 2.0
   46    54    65    66   0.15000  1.0 3.0
   46    54   -65    81   0.56750  1.0 1.0
   46    54   -65    81  -0.07550 -1.0 2.0
   46    54   -65    81   0.20000  1.0 3.0
   46    54    65    82   0.56750  1.0 1.0
   46    54    65    82  -0.07550 -1.0 2.0
   46    54    65    82   0.20000  1.0 3.0
   46    54    67    68   0.15000  1.0 3.0
   46    54    67    69   0.15000  1.0 3.0
   46    54    67    70   0.15000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    65   0.15000  1.0 3.0
   47    46    54    67   0.15000  1.0 3.0
   54    65   -81    44  -0.12500  1.0 1.0
   54    65   -81    44  -0.12500 -1.0 2.0
   54    65   -81    44   0.25000  1.0 3.0
   54    65    82    83   0.15000  1.0 3.0
   54    65    82    84   0.15000  1.0 3.0
   54    65    82    86  -0.03700  1.0 1.0
   54    65    82    86   0.37200 -1.0 2.0
   54    65    82    86  -0.47300  1.0 3.0
   55    54    65    66   0.15000  1.0 3.0
   55    54    65    81   0.15000  1.0 3.0
   55    54    65    82   0.15000  1.0 3.0
   55    54    67    68   0.15000  1.0 3.0
   55    54    67    69   0.15000  1.0 3.0
   55    54    67    70   0.15000  1.0 3.0
   65    54    67    68   0.15000  1.0 3.0
   65    54    67    69   0.15000  1.0 3.0
   65    54    67    70   0.15000  1.0 3.0
   65    82    86    88   0.04150 -1.0 2.0
   65    82    86   116   0.39850  1.0 1.0
   65    82    86   116   0.06450 -1.0 2.0
   65    82    86   116   0.32400  1.0 3.0
   66    65    81    44  -0.15000  1.0 3.0
   66    65    82    83   0.15000  1.0 3.0
   66    65    82    84   0.15000  1.0 3.0
   66    65    82    86   0.43200  1.0 3.0
   81    44    46    33   0.00000  1.0 1.0
   81    44    46    47   0.00000  1.0 1.0
   81    44   -46    54   0.00000  1.0 1.0
   81    65    82    83   0.15000  1.0 3.0
   81    65    82    84   0.15000  1.0 3.0
   81    65    82    86   0.56750  1.0 1.0
   81    65    82    86  -0.07550 -1.0 2.0
   81    65    82    86   0.20000  1.0 3.0
   82    65    81    44  -0.12500  1.0 1.0
   82    65    81    44  -0.12500 -1.0 2.0
   82    65    81    44   0.25000  1.0 3.0
   82    86    88    94   3.62500 -1.0 2.0
   82    86    88    95   3.62500 -1.0 2.0
   82    86   116   102   3.62500 -1.0 2.0
   82    86   116   117   2.00000 -1.0 2.0
   83    82    86    88   0.00000  1.0 1.0
   83    82    86   116   0.00000  1.0 1.0
   84    82    86    88   0.00000  1.0 1.0
   84    82    86   116   0.00000  1.0 1.0
   86    88   -94   102   3.62500 -1.0 2.0
   86    88    94   103   3.62500 -1.0 2.0
   86    88    95    96   0.00000  1.0 1.0
   86    88    95    97   0.00000  1.0 1.0
   86    88    95   107   0.04150 -1.0 2.0
   88    86  -116   102   3.62500 -1.0 2.0
   88    86   116   117   2.00000 -1.0 2.0
   88    94  -102   116   3.62500 -1.0 2.0
   88    94   102   118   3.62500 -1.0 2.0
   88    94   103   104   0.00000  1.0 1.0
   88    94   103   105   0.00000  1.0 1.0
   88    94   103   106   0.00000  1.0 1.0
   88    95   107   108   0.43200  1.0 3.0
   88    95   107   109   0.43200  1.0 3.0
   88    95   107   110   0.43200  1.0 3.0
   94    88    95    96   0.00000  1.0 1.0
   94    88    95    97   0.00000  1.0 1.0
   94    88    95   107   0.04150 -1.0 2.0
   94   102  -116    86   3.62500 -1.0 2.0
   94   102   116   117   2.00000 -1.0 2.0
   94   102   118   119   1.05000 -1.0 2.0
   94   102   118   120   0.56600 -1.0 2.0
  102    94   103   104   0.00000  1.0 1.0
  102    94   103   105   0.00000  1.0 1.0
  102    94   103   106   0.00000  1.0 1.0
  116    86   -88    94   3.62500 -1.0 2.0
  116    86    88    95   3.62500 -1.0 2.0
  116   102   118   119   1.85000 -1.0 2.0
  116   102   118   120   0.56600 -1.0 2.0
  118   102   116    86   3.62500 -1.0 2.0
  118   102   116   117   2.00000 -1.0 2.0
  103    94   102   116   3.62500 -1.0 2.0
  103    94   102   118   3.62500 -1.0 2.0
   95    88    94   102   3.62500 -1.0 2.0
   95    88    94   103   3.62500 -1.0 2.0
   96    95   107   108   0.15000  1.0 3.0
   96    95   107   109   0.15000  1.0 3.0
   96    95   107   110   0.15000  1.0 3.0
   97    95   107   108   0.15000  1.0 3.0
   97    95   107   109   0.15000  1.0 3.0
   97    95   107   110   0.15000  1.0 3.0
   67    54    65    66   0.15000  1.0 3.0
   67    54    65    81   0.56750  1.0 1.0
   67    54    65    81  -0.07550 -1.0 2.0
   67    54    65    81   0.20000  1.0 3.0
   67    54    65    82   0.56750  1.0 1.0
   67    54    65    82  -0.07550 -1.0 2.0
   67    54    65    82   0.20000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    46    44   1.05650  1.0 1.0
   38    33    46    44   0.15600 -1.0 2.0
   38    33    46    44   0.53150  1.0 3.0
   38    33    46    47   0.23400  1.0 3.0
   38    33    46    54   0.86500  1.0 1.0
   38    33    46    54  -0.17500 -1.0 2.0
   38    33    46    54   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    41    37    40   1.10000 -1.0 2.0
   43    44    40    37   1.10000 -1.0 2.0
   40    45    43    71  10.50000 -1.0 2.0
   48    71    56    72   1.10000 -1.0 2.0
   85    73    72    56   1.10000 -1.0 2.0
   87   111    85    72   4.00000 -1.0 2.0
   89    90    87    85   4.00000 -1.0 2.0
   98   100    89    87   4.00000 -1.0 2.0
  111    99    98    89   4.00000 -1.0 2.0
  112    85   111    98   1.00000 -1.0 2.0
   89   101   100   113  15.00000 -1.0 2.0
  114   115   113   100  15.00000 -1.0 2.0
   37    61    41    42  10.50000 -1.0 2.0
   79    62    78    80  10.50000 -1.0 2.0
   40    46    44    81  10.50000 -1.0 2.0
   88   116    86    82   4.00000 -1.0 2.0
   94    95    88    86   4.00000 -1.0 2.0
  102   103    94    88   4.00000 -1.0 2.0
  118   116   102    94   4.00000 -1.0 2.0
  117    86   116   102   1.00000 -1.0 2.0
  102   120   118   119  10.50000 -1.0 2.0
END
