* LIGAND DATABASE FILE (OPLS2005)
*
001     126   128    233    359     689
    1     0 S   NP   _N1_     1    28.65193    94.54572   -19.32595
    2     1 S   H    _HN1     2     1.02949    84.68531    10.51994
    3     1 S   H    _H1_     3     1.02831    38.72121   136.54888
    4     1 S   H    _H2_     4     1.02790    86.16710   -98.33605
    5     1 S   CT   _CA1     5     1.50134   149.41578   132.62297
    6     5 S   HC   _HA1     6     1.09581   105.14571    61.92470
    7     5 S   CO3  _C1_     7     1.53763   112.37295   -58.15133
    8     7 S   O2Z  _O11     8     1.26362   115.01100   -44.38751
    9     7 S   O2Z  _O12     9     1.26232   114.90323   134.47427
   10     5 S   CT   _CB1    10     1.53067   107.38329   179.73166
   11    10 S   HC   HB11    11     1.09836   109.21261   -50.39778
   12    10 S   HC   HB12    12     1.09810   110.52824    66.16137
   13    10 S   CT   _CG1    13     1.53001   112.66183  -171.41647
   14    13 S   HC   HG11    14     1.09602   110.58340   -67.61070
   15    13 S   HC   HG12    15     1.09675   109.80657    51.60620
   16    13 S   C    _CD1    16     1.51860   112.18193   171.89494
   17    16 S   O    _OE1    17     1.22742   123.28111     6.63439
   18    16 S   N    _N2_    18     1.38623   111.69643  -173.18704
   19    18 S   H    _HN2    19     1.01593   118.93856     0.88360
   20    18 S   CT1  _CA2    20     1.46297   123.50609   177.54242
   21    20 S   HC   _HA2    21     1.09738   109.36756     3.38553
   22    20 S   C    _C2_    22     1.53577   108.76200  -112.13299
   23    22 S   O    _O2_    23     1.23071   122.25812  -149.27847
   24    20 S   CT   _CB2    32     1.53473   111.40097   125.45524
   25    24 S   HC   HB21    33     1.09276   108.98854    55.15478
   26    24 S   HC   HB22    34     1.09415   110.20439   174.28756
   27    22 S   N    _N3_    24     1.38321   113.76968    38.27504
   28    27 S   H    _HN3    25     1.01579   119.56022    -3.53685
   29    24 S   S    _SG2    35     1.82558   110.85758   -65.39885
   30    27 S   CT   _CA3    26     1.45285   123.23994   177.11066
   31    30 S   HC   HA31    27     1.09551   107.52309   -64.35889
   32    30 S   HC   HA32    28     1.09558   107.97284    52.08444
   33    29 S   CT   _C20    36     1.87853   102.21756  -177.43471
   34    30 S   CO3  _C3_    29     1.52965   114.06648   174.06849
   35    34 S   O2Z  _O31    30     1.26378   116.06257    -0.53559
   36    34 S   O2Z  _O32    31     1.26425   114.41699   179.52112
   37    33 S   CM   _C15    37     1.53265   108.17195   -68.37829
   38    33 S   OH   _O35   125     1.43060   109.19514    51.36422
   39    38 S   HO   _H15   126     0.97222   106.10714    33.98332
   40    37 S   CMA  _C16    38     1.36217   119.81987   -85.85399
   41    40 S   OM   _O38    39     1.26260   130.53369   179.36944
   42    37 S   CT   _C14    64     1.53443   118.24241    93.22794
   43    42 S   HC   _H13    65     1.09600   111.98475    -4.77983
   44    42 S   HC   _H14    66     1.09717   107.49721  -117.43346
   45    40 S   CM   _C17    40     1.48367   118.04415     0.00000
   46    42 S   CA   _C12    67     1.52223   115.12883   118.33006
   47    45 S   CMA  _C18    41     1.36215   124.59086   -22.06347
   48    47 S   OM   _O36    42     1.26613   130.52525  -178.23841
   49    45 S   CO4  _C23    52     1.51069   120.44114   156.60935
   50    49 S   O    _O37    53     1.23000   121.09747    98.20950
   51    46 S   CA   _C13    68     1.40805   120.28859   111.52053
   52    33 S   CT   _C19    43     1.59529   110.73187   170.03050
   53    49 S   CT   _C24    54     1.52003   115.77892   -83.50900
   54    53 S   HC   _H22    55     1.09613   109.31424    27.49446
   55    53 S   HC   _H23    56     1.09577   107.90327   -89.62216
   56    51 S   CA   _C8_    69     1.40378   121.12218  -173.99452
   57    51 S   OH   _O34   123     1.37381   117.82146     5.18810
   58    57 S   HO   _H12   124     0.97218   109.81256   173.25837
   59    52 S   CT   _C21    44     1.55946   110.54518  -172.54325
   60    59 S   HC   _H16    45     1.09548   111.45787    61.50771
   61    59 S   HC   _H17    46     1.09464   112.52759   -59.69434
   62    59 S   HC   _H18    47     1.09699   111.09464  -179.39672
   63    52 S   CT   _C22    48     1.56683   109.76046   -57.33694
   64    63 S   HC   _H19    49     1.09540   111.49585   -52.17124
   65    63 S   HC   _H20    50     1.09735   111.48907  -170.58195
   66    63 S   HC   _H21    51     1.09488   112.55588    69.14297
   67    53 S   CT   _C25    57     1.52532   111.70392   148.85621
   68    67 S   HC   _H24    58     1.09643   110.04491    61.66509
   69    67 S   HC   _H25    59     1.09654   109.92058   -55.63799
   70    56 S   CA   _C9_    70     1.40029   119.77056    -2.07113
   71    56 S   CO4  _C7_   111     1.48517   119.39309   176.24840
   72    71 S   O    _O33   112     1.22841   118.67938    49.47296
   73    67 S   CT   _C26    60     1.52004   111.37905  -177.02244
   74    73 S   HC   _H26    61     1.09462   110.92752    60.53861
   75    73 S   HC   _H27    62     1.09442   110.30928  -179.74977
   76    73 S   HC   _H28    63     1.09468   111.01085   -59.92949
   77    70 S   CA   _C10    71     1.40427   120.89074    -0.88027
   78    70 S   OH   _O44   109     1.36999   118.26659  -179.33618
   79    78 S   HO   _H45   110     0.97359   108.27314  -144.50151
   80    71 S   CT   _C6_   113     1.51797   118.36191  -128.71145
   81    80 S   HC   _H10   114     1.09597   109.63390    19.91516
   82    80 S   HC   _H11   115     1.09536   108.27929   -98.35716
   83    46 S   CA   _C11    72     1.40855   122.06610   -67.18909
   84    77 S   CT   _C27    75     1.52151   122.24395  -179.23332
   85    84 S   HC   _H30    76     1.09626   111.36824    17.46257
   86    84 S   HC   _H31    77     1.09865   107.37225   130.74471
   87    80 S   CT   _C5_   116     1.52708   111.05662   140.56577
   88    87 S   HC   _H8_   117     1.09650   110.06463    61.30256
   89    87 S   HC   _H9_   118     1.09668   109.86620   -55.94591
   90    83 S   OH   _O39    73     1.37316   121.46658    -7.15278
   91    90 S   HO   _H29    74     0.97149   110.42143     0.19383
   92    84 S   CT   _C28    78     1.54074   112.95813  -107.47185
   93    92 S   HC   _H3_    79     1.09570   108.99442   -47.55769
   94    87 S   CT   _C4_   119     1.51990   111.49099  -177.39098
   95    94 S   HC   _H5_   120     1.09474   111.01030    60.48454
   96    94 S   HC   _H6_   121     1.09468   110.98102   -60.03231
   97    94 S   HC   _H7_   122     1.09447   110.26819  -179.78694
   98    92 S   CO4  _C29    80     1.51857   113.39692    71.36826
   99    98 S   O    _O40    81     1.22849   123.07203     4.20160
  100    98 S   CT   _C30    82     1.51633   114.55896  -175.41944
  101   100 S   HC   _H4_    83     1.09808   107.05612    61.64975
  102   100 S   CO4  _C31    84     1.52462   111.51107   -53.53308
  103   102 S   O    _O41    85     1.23377   120.72487  -147.69646
  104   100 S   CO4  _C36    97     1.52509   111.49095   178.26201
  105   104 S   O    _O43    98     1.23082   121.63420    85.11281
  106   102 S   CT   _C32    86     1.53981   118.14397    39.13065
  107   104 S   CT   _C37    99     1.52145   115.97204   -92.57575
  108   107 S   HC   _H38   100     1.09582   107.95222    54.57897
  109   107 S   HC   _H39   101     1.09566   107.85688   -62.57473
  110    92 S   CO4  _C33    87     1.52456   112.27612  -165.37593
  111   110 S   O    _O42    88     1.23152   121.61561     6.53888
  112   106 S   CT   _C34    89     1.53880   108.65347  -153.57048
  113   112 S   HC   _H32    90     1.09610   111.65964  -177.95905
  114   112 S   HC   _H33    91     1.09647   110.83037    62.08336
  115   112 S   HC   _H34    92     1.09603   111.76756   -57.81227
  116   106 S   CT   _C35    93     1.53342   108.03999    87.87971
  117   116 S   HC   _H35    94     1.09593   111.31893  -178.52634
  118   116 S   HC   _H36    95     1.09605   111.27159    60.84938
  119   116 S   HC   _H37    96     1.09506   111.55910   -58.60329
  120   107 S   CT   _C38   102     1.52547   112.60750   175.92451
  121   120 S   HC   _H40   103     1.09658   109.94896   -58.08081
  122   120 S   HC   _H41   104     1.09652   109.96133    59.24366
  123   120 S   CT   _C39   105     1.51995   111.46490  -179.38866
  124   123 S   HC   _H42   106     1.09469   111.00065   -60.19465
  125   123 S   HC   _H43   107     1.09449   110.26905  -179.95154
  126   123 S   HC   _H44   108     1.09475   110.99285    60.31753
  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
  21   2   1   1  16   7   1  12   4  11   4   3  11  11  13   4
   9   4  11   8   9   5   4  14   4   1   7   3   2   1   3   2
   1   1   6   5   4  12  10   4   3   2   1   1  12   3   1   9
   5   4   6  11   5   4   6   5   4   1   1  12   6   3   2   1
   1  11   5  13   6  15   5   9   4  10   9   5   4   9   2   7
   3   2   1   3   2   1   1   6   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    47    52    59    63    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    45    47    48    52    59    60    61    62    63    64    65    66    42    43    44    46    38    39  
   35    36  
   36  
    0  
   40    41    45    47    52    59    63    49    42    43    44    46    51    83    38    39  
   39    40    42    47    52    59    63  
   52  
   41    45    47    48    52    49    50    53    42    43    44    46  
   45    47    49    42  
   43    44    46    51    56    77    83    90    57    45    52  
   44    46    51    83  
   46    51    83  
   47    48    52    59    63    49    50    53    54    55    67  
   51    56    70    77    83    90    91    84    71    57    58  
   48    52    59    60    61    62    63    64    65    66    49    50    53  
   52    59    63    49  
   50    53    54    55    67    68    69    73    52  
   53    54    55    67  
   56    70    77    83    90    78    71    72    80    57    58  
   59    60    61    62    63    64    65    66  
   54    55    67    68    69    73    74    75    76  
   55    67    68    69    73  
   67    68    69    73  
   70    77    83    84    78    79    71    72    80    81    82    87    57    58  
   58    70    71    83  
    0  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    73    74    75    76  
   69    73    74    75    76  
   73    74    75    76  
   77    83    90    84    85    86    92    78    79    71    72    80  
   72    80    81    82    87    88    89    94    77    78  
   80    81    82    87  
   74    75    76  
   75    76  
   76  
    0  
   83    90    91    84    85    86    92    93    98   110    78    79  
   79    83    84  
    0  
   81    82    87    88    89    94    95    96    97  
   82    87    88    89    94  
   87    88    89    94  
   90    91    84    85    86    92  
   85    86    92    93    98    99   100   106   110   111    90  
   86    92    93    98   110  
   92    93    98   110  
   88    89    94    95    96    97  
   89    94    95    96    97  
   94    95    96    97  
   91  
    0  
   93    98    99   100   101   102   106   110   111   112   116   104  
   98    99   100   106   110   111  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   106   110   111   104   105   107  
  100   101   102   110   104  
  101   102   103   106   110   112   116   104   105   107   108   109   120  
  102   103   106   104   105   107  
  103   106   110   111   112   113   114   115   116   117   118   119   104   105   107  
  106   110   112   116   104  
  105   107   108   109   120   121   122   123   106  
  107   108   109   120  
  110   111   112   113   114   115   116   117   118   119  
  108   109   120   121   122   123   124   125   126  
  109   120   121   122   123  
  120   121   122   123  
  111   112   113   114   115   116   117   118   119  
  112   116  
  113   114   115   116   117   118   119  
  114   115   116  
  115   116  
  116  
  117   118   119  
  118   119  
  119  
    0  
  121   122   123   124   125   126  
  122   123   124   125   126  
  123   124   125   126  
  124   125   126  
  125   126  
  126  
    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  -0.601200   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   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -1.202400   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   84   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   99   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  100   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  103   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  104   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  105   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  106   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  111   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  118   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  119   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  120   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  121   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  122   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  123   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  124   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  125   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  126   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    52   268.000  1.529
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    45   465.000  1.376
   45    47   465.000  1.376
   45    49   320.000  1.462
   47    48   745.000  1.250
   47    52   270.000  1.512
   52    59   268.000  1.529
   52    63   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   49    50   570.000  1.229
   49    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    46   317.000  1.510
   46    51   469.000  1.400
   46    83   469.000  1.400
   51    56   469.000  1.400
   51    57   450.000  1.364
   56    70   469.000  1.400
   56    71   310.000  1.470
   70    77   469.000  1.400
   70    78   450.000  1.364
   77    83   469.000  1.400
   77    84   317.000  1.510
   83    90   450.000  1.364
   90    91   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    92   268.000  1.529
   92    93   340.000  1.090
   92    98   317.000  1.522
   92   110   317.000  1.522
   98    99   570.000  1.229
   98   100   317.000  1.522
  100   101   340.000  1.090
  100   102   317.000  1.522
  100   104   317.000  1.522
  102   103   570.000  1.229
  102   106   317.000  1.522
  106   110   317.000  1.522
  106   112   268.000  1.529
  106   116   268.000  1.529
  110   111   570.000  1.229
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  116   117   340.000  1.090
  116   118   340.000  1.090
  116   119   340.000  1.090
  104   105   570.000  1.229
  104   107   317.000  1.522
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   120   268.000  1.529
  120   121   340.000  1.090
  120   122   340.000  1.090
  120   123   268.000  1.529
  123   124   340.000  1.090
  123   125   340.000  1.090
  123   126   340.000  1.090
   78    79   553.000  0.945
   71    72   570.000  1.229
   71    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    94   268.000  1.529
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   57    58   553.000  0.945
   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    52    75.00000  111.63000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    52    47    70.00000  112.02700
   33    52    59    58.35000  112.70000
   33    52    63    58.35000  112.70000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    45    70.00000  123.01800
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    46    70.00000  112.99600
   40    45    47    70.00000  117.34000
   40    45    49    60.00000  125.92000
   45    40    41    65.00000  137.10300
   45    47    48    65.00000  137.10300
   45    47    52    65.00000  122.18000
   45    49    50    80.00000  123.72100
   45    49    53    65.00000  118.62400
   47    52    59    70.00000  112.02700
   47    52    63    70.00000  112.02700
   52    33    37    70.00000  112.02700
   52    47    48    85.00000  112.85300
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   52    63    64    37.50000  110.70000
   52    63    65    37.50000  110.70000
   52    63    66    37.50000  110.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    52    59    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   49    45    47    60.00000  125.92000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    67    63.00000  111.10000
   53    49    50    80.00000  120.40000
   53    67    68    37.50000  110.70000
   53    67    69    37.50000  110.70000
   53    67    73    58.35000  112.70000
   55    53    54    33.00000  107.80000
   67    53    54    37.50000  110.70000
   67    53    55    37.50000  110.70000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    76    37.50000  110.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   42    37    40    70.00000  124.00000
   42    46    51    70.00000  120.00000
   42    46    83    70.00000  120.00000
   44    42    43    33.00000  107.80000
   46    42    43    35.00000  109.50000
   46    42    44    35.00000  109.50000
   46    51    56    63.00000  120.00000
   46    51    57    70.00000  120.00000
   46    83    77    63.00000  120.00000
   46    83    90    70.00000  120.00000
   51    56    70    63.00000  120.00000
   51    56    71    60.00000  119.52600
   51    57    58    35.00000  113.00000
   56    70    77    63.00000  120.00000
   56    70    78    70.00000  120.00000
   56    71    72    75.00000  123.78400
   56    71    80    65.00000  115.47100
   70    77    83    63.00000  120.00000
   70    77    84    70.00000  120.00000
   70    78    79    35.00000  113.00000
   77    83    90    70.00000  120.00000
   77    84    85    35.00000  109.50000
   77    84    86    35.00000  109.50000
   77    84    92    70.00000  112.17500
   83    46    51    63.00000  120.00000
   83    90    91    35.00000  113.00000
   84    77    83    70.00000  120.00000
   84    92    93    37.50000  110.70000
   84    92    98    63.00000  111.10000
   84    92   110    63.00000  111.10000
   86    84    85    33.00000  107.80000
   92    84    85    37.50000  110.70000
   92    84    86    37.50000  110.70000
   92    98    99    80.00000  120.40000
   92    98   100    70.00000  116.00000
   92   110   106    70.00000  116.00000
   92   110   111    80.00000  120.40000
   98    92    93    35.00000  109.50000
   98   100   101    35.00000  109.50000
   98   100   102    75.00000  107.99600
   98   100   104    75.00000  107.99600
  100    98    99    80.00000  120.40000
  100   102   103    80.00000  120.40000
  100   102   106    70.00000  116.00000
  100   104   105    80.00000  120.40000
  100   104   107    70.00000  116.00000
  102   100   101    35.00000  109.50000
  102   106   110    75.00000  107.99600
  102   106   112    63.00000  111.10000
  102   106   116    63.00000  111.10000
  106   102   103    80.00000  120.40000
  106   110   111    80.00000  120.40000
  106   112   113    37.50000  110.70000
  106   112   114    37.50000  110.70000
  106   112   115    37.50000  110.70000
  106   116   117    37.50000  110.70000
  106   116   118    37.50000  110.70000
  106   116   119    37.50000  110.70000
  110    92    93    35.00000  109.50000
  110    92    98    75.00000  107.99600
  112   106   110    63.00000  111.10000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  116   106   110    63.00000  111.10000
  116   106   112    58.35000  112.70000
  118   116   117    33.00000  107.80000
  119   116   117    33.00000  107.80000
  119   116   118    33.00000  107.80000
  104   100   101    35.00000  109.50000
  104   100   102    75.00000  107.99600
  104   107   108    35.00000  109.50000
  104   107   109    35.00000  109.50000
  104   107   120    63.00000  111.10000
  107   104   105    80.00000  120.40000
  107   120   121    37.50000  110.70000
  107   120   122    37.50000  110.70000
  107   120   123    58.35000  112.70000
  109   107   108    33.00000  107.80000
  120   107   108    37.50000  110.70000
  120   107   109    37.50000  110.70000
  120   123   124    37.50000  110.70000
  120   123   125    37.50000  110.70000
  120   123   126    37.50000  110.70000
  122   120   121    33.00000  107.80000
  123   120   121    37.50000  110.70000
  123   120   122    37.50000  110.70000
  125   123   124    33.00000  107.80000
  126   123   124    33.00000  107.80000
  126   123   125    33.00000  107.80000
   78    70    77    70.00000  120.00000
   71    56    70    60.00000  119.52600
   71    80    81    35.00000  109.50000
   71    80    82    35.00000  109.50000
   71    80    87    63.00000  111.10000
   80    71    72    80.00000  120.40000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    94    58.35000  112.70000
   82    80    81    33.00000  107.80000
   87    80    81    37.50000  110.70000
   87    80    82    37.50000  110.70000
   87    94    95    37.50000  110.70000
   87    94    96    37.50000  110.70000
   87    94    97    37.50000  110.70000
   89    87    88    33.00000  107.80000
   94    87    88    37.50000  110.70000
   94    87    89    37.50000  110.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   57    51    56    70.00000  120.00000
   38    33    37    90.00000  110.39200
   38    33    52    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    59   0.44750  1.0 1.0
   29    33    52    59  -0.17800 -1.0 2.0
   29    33    52    59   0.20200  1.0 3.0
   29    33    52    63   0.44750  1.0 1.0
   29    33    52    63  -0.17800 -1.0 2.0
   29    33    52    63   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    41   7.00000 -1.0 2.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    46   0.09700  1.0 1.0
   33    37    42    46   0.15600 -1.0 2.0
   33    37    42    46  -0.50800  1.0 3.0
   33    52    59    60   0.15000  1.0 3.0
   33    52    59    61   0.15000  1.0 3.0
   33    52    59    62   0.15000  1.0 3.0
   33    52    63    64   0.15000  1.0 3.0
   33    52    63    65   0.15000  1.0 3.0
   33    52    63    66   0.15000  1.0 3.0
   37    33    52    47   0.31000  1.0 1.0
   37    33    52    47   0.14700 -1.0 2.0
   37    33    52    47   0.07550  1.0 3.0
   37    33    52    59   0.34400  1.0 1.0
   37    33    52    59   0.09450 -1.0 2.0
   37    33    52    59   0.11100  1.0 3.0
   37    33    52    63   0.34400  1.0 1.0
   37    33    52    63   0.09450 -1.0 2.0
   37    33    52    63   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   -45    47   7.00000 -1.0 2.0
   37    40    45    49   7.00000 -1.0 2.0
   37    42    46    51   0.18050 -1.0 2.0
   37    42    46    83   0.18050 -1.0 2.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    46   1.44450  1.0 1.0
   40    37    42    46   0.06600 -1.0 2.0
   40    37    42    46   0.29250  1.0 3.0
   40    45    47    48   7.00000 -1.0 2.0
   40    45    47    52   7.00000 -1.0 2.0
   40    45    49    50   1.00000 -1.0 2.0
   40    45    49    53  -0.33500  1.0 1.0
   40    45    49    53   1.06600 -1.0 2.0
   40    45    49    53  -0.14000  1.0 3.0
   41    40    45    47   7.00000 -1.0 2.0
   41    40    45    49   7.00000 -1.0 2.0
   45    47   -52    33   0.09850  1.0 1.0
   45    47   -52    33   0.15250 -1.0 2.0
   45    47   -52    33  -0.50650  1.0 3.0
   45    47    52    59   0.09850  1.0 1.0
   45    47    52    59   0.15250 -1.0 2.0
   45    47    52    59  -0.50650  1.0 3.0
   45    47    52    63   0.09850  1.0 1.0
   45    47    52    63   0.15250 -1.0 2.0
   45    47    52    63  -0.50650  1.0 3.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    67   0.65300  1.0 1.0
   45    49    53    67  -0.03850 -1.0 2.0
   45    49    53    67   0.33900  1.0 3.0
   47    45    49    50   1.00000 -1.0 2.0
   47    45    49    53  -0.33500  1.0 1.0
   47    45    49    53   1.06600 -1.0 2.0
   47    45    49    53  -0.14000  1.0 3.0
   47    52    59    60   0.15000  1.0 3.0
   47    52    59    61   0.15000  1.0 3.0
   47    52    59    62   0.15000  1.0 3.0
   47    52    63    64   0.15000  1.0 3.0
   47    52    63    65   0.15000  1.0 3.0
   47    52    63    66   0.15000  1.0 3.0
   48    47    52    33   0.09700  1.0 1.0
   48    47    52    33   0.15600 -1.0 2.0
   48    47    52    33  -0.50800  1.0 3.0
   48    47    52    59   0.09700  1.0 1.0
   48    47    52    59   0.15600 -1.0 2.0
   48    47    52    59  -0.50800  1.0 3.0
   48    47    52    63   0.09700  1.0 1.0
   48    47    52    63   0.15600 -1.0 2.0
   48    47    52    63  -0.50800  1.0 3.0
   52    33   -37    40   0.09850  1.0 1.0
   52    33   -37    40   0.15250 -1.0 2.0
   52    33   -37    40  -0.50650  1.0 3.0
   52    33    37    42   0.46850  1.0 1.0
   52    33    37    42   0.08550 -1.0 2.0
   52    33    37    42   0.09800  1.0 3.0
   52    33    38    39  -0.11600  1.0 1.0
   52    33    38    39  -0.09450 -1.0 2.0
   52    33    38    39   0.21250  1.0 3.0
   59    52    63    64   0.15000  1.0 3.0
   59    52    63    65   0.15000  1.0 3.0
   59    52    63    66   0.15000  1.0 3.0
   63    52    59    60   0.15000  1.0 3.0
   63    52    59    61   0.15000  1.0 3.0
   63    52    59    62   0.15000  1.0 3.0
   49    45    47    48   7.00000 -1.0 2.0
   49    45    47    52   7.00000 -1.0 2.0
   49    53    67    68  -0.11250  1.0 3.0
   49    53    67    69  -0.11250  1.0 3.0
   49    53    67    73  -0.95700  1.0 1.0
   49    53    67    73  -0.18200 -1.0 2.0
   49    53    67    73   0.29450  1.0 3.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    55   0.00000  1.0 1.0
   50    49    53    67   0.30150 -1.0 2.0
   53    67    73    74   0.15000  1.0 3.0
   53    67    73    75   0.15000  1.0 3.0
   53    67    73    76   0.15000  1.0 3.0
   54    53    67    68   0.15000  1.0 3.0
   54    53    67    69   0.15000  1.0 3.0
   54    53    67    73   0.15000  1.0 3.0
   55    53    67    68   0.15000  1.0 3.0
   55    53    67    69   0.15000  1.0 3.0
   55    53    67    73   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    76   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    76   0.15000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    45   7.00000 -1.0 2.0
   42    46    51    56   3.62500 -1.0 2.0
   42    46    51    57   3.62500 -1.0 2.0
   42    46    83    77   3.62500 -1.0 2.0
   42    46    83    90   3.62500 -1.0 2.0
   43    42    46    51   0.00000  1.0 1.0
   43    42    46    83   0.00000  1.0 1.0
   44    42    46    51   0.00000  1.0 1.0
   44    42    46    83   0.00000  1.0 1.0
   46    51    56    70   3.62500 -1.0 2.0
   46    51    56    71   3.62500 -1.0 2.0
   46    51    57    58   0.84100 -1.0 2.0
   46    83    90    91   0.84100 -1.0 2.0
   51    46    83    77   3.62500 -1.0 2.0
   51    46    83    90   3.62500 -1.0 2.0
   51    56   -70    77   3.62500 -1.0 2.0
   51    56    70    78   3.62500 -1.0 2.0
   51    56    71    72   1.05000 -1.0 2.0
   51    56    71    80   2.26350  1.0 1.0
   51    56    71    80   0.76750 -1.0 2.0
   51    56    71    80   0.22500  1.0 3.0
   56    51    57    58   0.84100 -1.0 2.0
   56    70    77    83   3.62500 -1.0 2.0
   56    70    77    84   3.62500 -1.0 2.0
   56    70    78    79   0.84100 -1.0 2.0
   56    71    80    81   0.00000  1.0 1.0
   56    71    80    82   0.00000  1.0 1.0
   56    71    80    87   0.05850 -1.0 2.0
   56    71    80    87   0.17250  1.0 3.0
   70    56    71    72   1.05000 -1.0 2.0
   70    56    71    80   2.26350  1.0 1.0
   70    56    71    80   0.76750 -1.0 2.0
   70    56    71    80   0.22500  1.0 3.0
   70    77   -83    46   3.62500 -1.0 2.0
   70    77    83    90   3.62500 -1.0 2.0
   70    77    84    85   0.00000  1.0 1.0
   70    77    84    86   0.00000  1.0 1.0
   70    77    84    92   0.04150 -1.0 2.0
   77    70    78    79   0.84100 -1.0 2.0
   77    83    90    91   0.84100 -1.0 2.0
   77    84    92    93   0.43200  1.0 3.0
   77    84    92    98   0.56750  1.0 1.0
   77    84    92    98  -0.07550 -1.0 2.0
   77    84    92    98   0.20000  1.0 3.0
   77    84    92   110   0.56750  1.0 1.0
   77    84    92   110  -0.07550 -1.0 2.0
   77    84    92   110   0.20000  1.0 3.0
   83    46   -51    56   3.62500 -1.0 2.0
   83    46    51    57   3.62500 -1.0 2.0
   83    77    84    85   0.00000  1.0 1.0
   83    77    84    86   0.00000  1.0 1.0
   83    77    84    92   0.04150 -1.0 2.0
   84    77    83    46   3.62500 -1.0 2.0
   84    77    83    90   3.62500 -1.0 2.0
   84    92    98    99   0.30150 -1.0 2.0
   84    92    98   100   0.60050  1.0 1.0
   84    92    98   100   0.05600 -1.0 2.0
   84    92    98   100   0.26150  1.0 3.0
   84    92   110   106   0.60050  1.0 1.0
   84    92   110   106   0.05600 -1.0 2.0
   84    92   110   106   0.26150  1.0 3.0
   84    92   110   111   0.30150 -1.0 2.0
   85    84    92    93   0.15000  1.0 3.0
   85    84    92    98  -0.11250  1.0 3.0
   85    84    92   110  -0.11250  1.0 3.0
   86    84    92    93   0.15000  1.0 3.0
   86    84    92    98  -0.11250  1.0 3.0
   86    84    92   110  -0.11250  1.0 3.0
   92    98   100   101   0.00000  1.0 1.0
   92    98   100   102   0.65300  1.0 1.0
   92    98   100   102  -0.03850 -1.0 2.0
   92    98   100   102   0.33900  1.0 3.0
   92    98   100   104   0.65300  1.0 1.0
   92    98   100   104  -0.03850 -1.0 2.0
   92    98   100   104   0.33900  1.0 3.0
   93    92    98    99   0.00000  1.0 1.0
   93    92    98   100   0.00000  1.0 1.0
   93    92   110   106   0.00000  1.0 1.0
   93    92   110   111   0.00000  1.0 1.0
   98    92   110   106   0.65300  1.0 1.0
   98    92   110   106  -0.03850 -1.0 2.0
   98    92   110   106   0.33900  1.0 3.0
   98    92   110   111   0.30150 -1.0 2.0
   98   100   102   103   0.30150 -1.0 2.0
   98   100  -102   106   0.65300  1.0 1.0
   98   100  -102   106  -0.03850 -1.0 2.0
   98   100  -102   106   0.33900  1.0 3.0
   98   100   104   105   0.30150 -1.0 2.0
   98   100   104   107   0.65300  1.0 1.0
   98   100   104   107  -0.03850 -1.0 2.0
   98   100   104   107   0.33900  1.0 3.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102   0.30150 -1.0 2.0
   99    98   100   104   0.30150 -1.0 2.0
  100   102   106   110   0.65300  1.0 1.0
  100   102   106   110  -0.03850 -1.0 2.0
  100   102   106   110   0.33900  1.0 3.0
  100   102   106   112   0.60050  1.0 1.0
  100   102   106   112   0.05600 -1.0 2.0
  100   102   106   112   0.26150  1.0 3.0
  100   102   106   116   0.60050  1.0 1.0
  100   102   106   116   0.05600 -1.0 2.0
  100   102   106   116   0.26150  1.0 3.0
  100   104   107   108   0.00000  1.0 1.0
  100   104   107   109   0.00000  1.0 1.0
  100   104   107   120   0.60050  1.0 1.0
  100   104   107   120   0.05600 -1.0 2.0
  100   104   107   120   0.26150  1.0 3.0
  101   100   102   103   0.00000  1.0 1.0
  101   100   102   106   0.00000  1.0 1.0
  101   100   104   105   0.00000  1.0 1.0
  101   100   104   107   0.00000  1.0 1.0
  102   100   104   105   0.30150 -1.0 2.0
  102   100   104   107   0.65300  1.0 1.0
  102   100   104   107  -0.03850 -1.0 2.0
  102   100   104   107   0.33900  1.0 3.0
  102   106  -110    92   0.65300  1.0 1.0
  102   106  -110    92  -0.03850 -1.0 2.0
  102   106  -110    92   0.33900  1.0 3.0
  102   106   110   111   0.30150 -1.0 2.0
  102   106   112   113  -0.11250  1.0 3.0
  102   106   112   114  -0.11250  1.0 3.0
  102   106   112   115  -0.11250  1.0 3.0
  102   106   116   117  -0.11250  1.0 3.0
  102   106   116   118  -0.11250  1.0 3.0
  102   106   116   119  -0.11250  1.0 3.0
  103   102   106   110   0.30150 -1.0 2.0
  103   102   106   112   0.30150 -1.0 2.0
  103   102   106   116   0.30150 -1.0 2.0
  110    92    98    99   0.30150 -1.0 2.0
  110    92   -98   100   0.65300  1.0 1.0
  110    92   -98   100  -0.03850 -1.0 2.0
  110    92   -98   100   0.33900  1.0 3.0
  110   106   112   113  -0.11250  1.0 3.0
  110   106   112   114  -0.11250  1.0 3.0
  110   106   112   115  -0.11250  1.0 3.0
  110   106   116   117  -0.11250  1.0 3.0
  110   106   116   118  -0.11250  1.0 3.0
  110   106   116   119  -0.11250  1.0 3.0
  112   106   110    92   0.60050  1.0 1.0
  112   106   110    92   0.05600 -1.0 2.0
  112   106   110    92   0.26150  1.0 3.0
  112   106   110   111   0.30150 -1.0 2.0
  112   106   116   117   0.15000  1.0 3.0
  112   106   116   118   0.15000  1.0 3.0
  112   106   116   119   0.15000  1.0 3.0
  116   106   110    92   0.60050  1.0 1.0
  116   106   110    92   0.05600 -1.0 2.0
  116   106   110    92   0.26150  1.0 3.0
  116   106   110   111   0.30150 -1.0 2.0
  116   106   112   113   0.15000  1.0 3.0
  116   106   112   114   0.15000  1.0 3.0
  116   106   112   115   0.15000  1.0 3.0
  104   100   102   103   0.30150 -1.0 2.0
  104   100   102   106   0.65300  1.0 1.0
  104   100   102   106  -0.03850 -1.0 2.0
  104   100   102   106   0.33900  1.0 3.0
  104   107   120   121  -0.11250  1.0 3.0
  104   107   120   122  -0.11250  1.0 3.0
  104   107   120   123  -0.95700  1.0 1.0
  104   107   120   123  -0.18200 -1.0 2.0
  104   107   120   123   0.29450  1.0 3.0
  105   104   107   108   0.00000  1.0 1.0
  105   104   107   109   0.00000  1.0 1.0
  105   104   107   120   0.30150 -1.0 2.0
  107   120   123   124   0.15000  1.0 3.0
  107   120   123   125   0.15000  1.0 3.0
  107   120   123   126   0.15000  1.0 3.0
  108   107   120   121   0.15000  1.0 3.0
  108   107   120   122   0.15000  1.0 3.0
  108   107   120   123   0.15000  1.0 3.0
  109   107   120   121   0.15000  1.0 3.0
  109   107   120   122   0.15000  1.0 3.0
  109   107   120   123   0.15000  1.0 3.0
  121   120   123   124   0.15000  1.0 3.0
  121   120   123   125   0.15000  1.0 3.0
  121   120   123   126   0.15000  1.0 3.0
  122   120   123   124   0.15000  1.0 3.0
  122   120   123   125   0.15000  1.0 3.0
  122   120   123   126   0.15000  1.0 3.0
   78    70    77    83   3.62500 -1.0 2.0
   78    70    77    84   3.62500 -1.0 2.0
   71    56    70    77   3.62500 -1.0 2.0
   71    56    70    78   3.62500 -1.0 2.0
   71    80    87    88  -0.11250  1.0 3.0
   71    80    87    89  -0.11250  1.0 3.0
   71    80    87    94  -0.95700  1.0 1.0
   71    80    87    94  -0.18200 -1.0 2.0
   71    80    87    94   0.29450  1.0 3.0
   72    71    80    81   0.00000  1.0 1.0
   72    71    80    82   0.00000  1.0 1.0
   72    71    80    87   0.30150 -1.0 2.0
   80    87    94    95   0.15000  1.0 3.0
   80    87    94    96   0.15000  1.0 3.0
   80    87    94    97   0.15000  1.0 3.0
   81    80    87    88   0.15000  1.0 3.0
   81    80    87    89   0.15000  1.0 3.0
   81    80    87    94   0.15000  1.0 3.0
   82    80    87    88   0.15000  1.0 3.0
   82    80    87    89   0.15000  1.0 3.0
   82    80    87    94   0.15000  1.0 3.0
   88    87    94    95   0.15000  1.0 3.0
   88    87    94    96   0.15000  1.0 3.0
   88    87    94    97   0.15000  1.0 3.0
   89    87    94    95   0.15000  1.0 3.0
   89    87    94    96   0.15000  1.0 3.0
   89    87    94    97   0.15000  1.0 3.0
   57    51    56    70   3.62500 -1.0 2.0
   57    51    56    71   3.62500 -1.0 2.0
   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    42   0.18000  1.0 1.0
   38    33    37    42   0.16450 -1.0 2.0
   38    33    37    42   0.04450  1.0 3.0
   38    33    52    47   1.05650  1.0 1.0
   38    33    52    47   0.15600 -1.0 2.0
   38    33    52    47   0.53150  1.0 3.0
   38    33    52    59   0.86500  1.0 1.0
   38    33    52    59  -0.17500 -1.0 2.0
   38    33    52    59   0.20800  1.0 3.0
   38    33    52    63   0.86500  1.0 1.0
   38    33    52    63  -0.17500 -1.0 2.0
   38    33    52    63   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    42    37    40   1.10000 -1.0 2.0
   45    41    40    37   1.10000 -1.0 2.0
   40    49    45    47   1.10000 -1.0 2.0
   52    48    47    45   1.10000 -1.0 2.0
   45    53    49    50  10.50000 -1.0 2.0
   51    83    46    42   4.00000 -1.0 2.0
   56    57    51    46   4.00000 -1.0 2.0
   70    71    56    51   4.00000 -1.0 2.0
   77    78    70    56   4.00000 -1.0 2.0
   83    84    77    70   4.00000 -1.0 2.0
   77    90    83    46   4.00000 -1.0 2.0
   92   100    98    99  10.50000 -1.0 2.0
  100   106   102   103  10.50000 -1.0 2.0
   92   106   110   111  10.50000 -1.0 2.0
  100   107   104   105  10.50000 -1.0 2.0
   56    80    71    72  10.50000 -1.0 2.0
END
