* LIGAND DATABASE FILE (OPLS2005)
*
001     114   119    220    362     665
    1     0 S   NP   _N1_     1    28.66497    96.92051   -19.79002
    2     1 S   H    _HN1     2     1.02890    78.55100     0.40590
    3     1 S   H    _H1_     3     1.02889    44.23343   130.68608
    4     1 S   H    _H2_     4     1.02798    86.20179  -108.98659
    5     1 S   CT   _CA1     5     1.50293   154.00891   115.12992
    6     5 S   HC   _HA1     6     1.09551   104.75956    72.95304
    7     5 S   CO3  _C1_     7     1.54149   110.95766   -44.69197
    8     7 S   O2Z  _O11     8     1.26149   115.92881   -88.85222
    9     7 S   O2Z  _O12     9     1.26396   114.32048    88.88112
   10     5 S   CT   _CB1    10     1.53094   107.10639  -170.97714
   11    10 S   HC   HB11    11     1.09836   109.56745   -49.78034
   12    10 S   HC   HB12    12     1.09781   110.53836    66.79780
   13    10 S   CT   _CG1    13     1.52943   112.27923  -170.52539
   14    13 S   HC   HG11    14     1.09421   110.41923   -60.86050
   15    13 S   HC   HG12    15     1.09601   110.00995    58.36108
   16    13 S   C    _CD1    16     1.51722   112.27980   178.82814
   17    16 S   O    _OE1    17     1.22750   123.23957     0.18557
   18    16 S   N    _N2_    18     1.38689   111.75347  -179.82086
   19    18 S   H    _HN2    19     1.01619   119.03604     2.67810
   20    18 S   CT1  _CA2    20     1.46335   123.17265  -178.89642
   21    20 S   HC   _HA2    21     1.09711   109.25339     1.12779
   22    20 S   C    _C2_    22     1.53481   109.36704  -114.90797
   23    22 S   O    _O2_    23     1.23085   121.98451  -154.64170
   24    20 S   CT   _CB2    32     1.53573   111.39180   122.79140
   25    24 S   HC   HB21    33     1.09280   108.79333    63.10269
   26    24 S   HC   HB22    34     1.09508   110.52075  -178.95059
   27    22 S   N    _N3_    24     1.38231   113.98076    32.34833
   28    27 S   H    _HN3    25     1.01599   119.44554    -3.29503
   29    24 S   S    _SG2    35     1.83102   110.93112   -59.15025
   30    27 S   CT   _CA3    26     1.45280   123.28725   177.52093
   31    30 S   HC   HA31    27     1.09547   107.42190   -66.87489
   32    30 S   HC   HA32    28     1.09556   108.09579    49.58999
   33    29 S   CT   _C28    36     1.86731   102.12513   155.69161
   34    30 S   CO3  _C3_    29     1.52966   114.06343   171.60158
   35    34 S   O2Z  _O31    30     1.26379   116.06247    -2.15268
   36    34 S   O2Z  _O32    31     1.26427   114.41850   177.94776
   37    33 S   CM   _C10    37     1.50998   107.56084    68.14407
   38    37 S   HC   _H47    38     1.08808   118.74007   -83.99778
   39    33 S   CM   _C14    52     1.54089   107.92566  -166.97103
   40    33 S   CO4  _C13    63     1.52940   109.93100   -50.70551
   41    40 S   O    _O34    64     1.22694   125.34672   113.30711
   42    37 S   CM   _C11    39     1.33868   123.50997    92.08571
   43    42 S   HC   _H48    40     1.08599   119.16985  -175.39644
   44    39 S   CMA  _C12    53     1.37921   121.98558    83.18620
   45    44 S   OM   _O33    54     1.26809   127.59701   174.01427
   46    42 S   CT   _C29    41     1.50246   121.08354    -0.04423
   47    44 S   CA   _C6_    55     1.51851   114.85834    -2.72225
   48    46 S   CT   _C20    42     1.55008   112.41939   161.37322
   49    48 S   HC   _H57    43     1.09990   110.13864    50.84345
   50    48 S   HC   _H58    44     1.09768   108.56403   162.76929
   51    47 S   CA   _C4_    56     1.40596   121.72390  -155.37011
   52    51 S   HA   _H45    57     1.08846   120.78069     4.44246
   53    46 S   OH   _O42   113     1.43507   104.52896   -83.99512
   54    53 S   HO   _H79   114     0.97216   108.58525   -62.99495
   55    48 S   CT   _C31    45     1.53933   116.60396   -74.86055
   56    51 S   CA   _C5_    58     1.40084   121.41356  -175.60488
   57    56 S   HA   _H46    59     1.08826   118.49850  -179.61235
   58    55 S   CT   _C16    46     1.52528   110.81301   -48.28002
   59    58 S   HC   _H49    47     1.09616   111.55726   -71.11330
   60    58 S   HC   _H50    48     1.09672   111.08653   171.46176
   61    56 S   CA   _C8_    60     1.40236   121.23474     0.50358
   62    55 S   CT   _C34   107     1.53197   113.26515    77.50873
   63    62 S   HC   _H72   108     1.09593   110.80813    52.38621
   64    62 S   HC   _H73   109     1.09274   112.91081   -69.52853
   65    62 S   HC   _H74   110     1.09656   110.50017   169.75886
   66    55 S   OH   _O43   111     1.43489   107.47048  -164.89281
   67    66 S   HO   _H80   112     0.97265   107.94757   -59.76009
   68    58 S   CO4  _C15    49     1.51408   109.78764    50.19249
   69    68 S   O    _O35    50     1.23231   119.49851   115.62591
   70    61 S   CA   _C9_    61     1.40043   117.85913    -0.60749
   71    61 S   CT   _C21    67     1.51552   120.33784   179.09691
   72    71 S   HC   _H59    68     1.09661   109.74832   171.07883
   73    46 S   CT   _C30    51     1.57144   110.90725    35.25597
   74    47 S   CA   _C7_    62     1.39885   121.33340    28.47098
   75    70 S   OH   _O38    65     1.37087   118.09749  -179.13611
   76    75 S   HO   _H75    66     0.97378   109.05798  -172.04118
   77    71 S   CT   _C19    69     1.53119   111.63614   -67.79418
   78    77 S   HC   _H55    70     1.09715   111.06028   -59.31182
   79    77 S   HC   _H56    71     1.09841   110.85568    58.10988
   80    77 S   CT   _C23    72     1.52632   110.47613   178.25258
   81    80 S   HC   _H61    73     1.09674   110.38270    70.30840
   82    73 S   OS   _O44    87     1.44312   113.08967  -176.11445
   83    80 S   CT   _C24    74     1.53207   110.69448   -51.69934
   84    83 S   HC   _H62    75     1.09710   108.93526   -70.97830
   85    80 S   OH   _O40    85     1.42575   109.39344  -172.10141
   86    85 S   HO   _H77    86     0.97238   107.60522   -58.00932
   87    82 S   CO   _C27    88     1.43077   118.48054    64.72549
   88    87 S   HC   _H65    89     1.09526   110.60826    23.25484
   89    83 S   CT   _C26    76     1.53511   110.81800    50.42821
   90    89 S   HC   _H64    77     1.09813   110.29206    66.05843
   91    83 S   OH   _O41    83     1.42708   109.70549   172.20180
   92    91 S   HO   _H78    84     0.97223   108.06989   -59.37206
   93    87 S   CT   _C18    90     1.54020   108.24091   141.35178
   94    93 S   HC   _H53    91     1.09801   110.29900    29.07527
   95    93 S   HC   _H54    92     1.09543   109.78750   -87.06365
   96    71 S   OS   _O36    78     1.43439   109.04686    53.95526
   97    89 S   CT   _C33    79     1.52444   111.53899  -174.71124
   98    97 S   HC   _H69    80     1.09505   110.93165    60.43236
   99    97 S   HC   _H70    81     1.09400   111.66696   -60.90712
  100    97 S   HC   _H71    82     1.09505   110.31415   178.59277
  101    93 S   CT   _C17    93     1.51862   111.32144   150.85200
  102   101 S   HC   _H51    94     1.09778   109.50624    63.39443
  103   101 S   HC   _H52    95     1.09625   110.40999   179.71607
  104   101 S   CT   _C22    96     1.53068   110.66744   -58.72770
  105   104 S   HC   _H60    97     1.09628   110.57242   -94.61459
  106   104 S   CT   _C25    98     1.53972   111.52618    26.18045
  107   106 S   HC   _H63    99     1.09812   109.67229   -84.11412
  108   104 S   OH   _O39   105     1.42693   108.14064   148.81711
  109   108 S   HO   _H76   106     0.97247   107.50560    56.83254
  110    87 S   OS   _O37   100     1.43782   111.70254   -95.70575
  111   106 S   CT   _C32   101     1.52340   113.39323   155.04349
  112   111 S   HC   _H66   102     1.09534   111.51281   -66.44879
  113   111 S   HC   _H67   103     1.09527   110.19207   175.89034
  114   111 S   HC   _H68   104     1.09410   111.29895    55.69059
  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  12   5  17  10   3  11   4  11   4  14   9  17
   7   6   7   4   5   1  12   9   3  12   6   5  12   6   3   2
   1   2   1   4   2   7  14   6   5   2   1   1  11   6   5  11
   6   8  12   7   3   1  12   6   8   6   3   1  10   6   5   4
   3   2   1   1  10   5   4  10   6   8   6   3   1   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    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    73    39    44    74    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    68    73    39    44    45    47    70    74    40    41    82  
   35    36  
   36  
    0  
   38    42    43    46    48    73    39    44    74    40    41    53  
   42    43    46    39    40  
   44    45    47    51    74    40    41    82    87    53    42    46    48    58    68    69    73  
   41    75    42    44    47    51    61    70    73    74  
   47    70    74  
   43    46    48    49    50    55    68    73    82    53    54  
   46    48    73    53  
   45    47    51    52    56    70    74    82    46    68    73  
   47    51    74    73  
   48    49    50    55    58    68    69    73    82    87    62    66    53    54  
   51    52    56    57    61    70    74    75    73  
   49    50    55    58    59    60    68    73    82    62    63    64    65    66    67    53    54  
   50    55    58    73    62    66    53  
   55    58    73    62    66    53  
   52    56    57    61    70    74    71  
   56    57    61    74  
   54    55    68    73    82  
   73  
   58    59    60    68    69    73    62    63    64    65    66    67  
   57    61    70    74    75    71    72    77    96  
   61    70    71  
   59    60    68    69    73    82    62    63    64    65    66    67  
   60    68    69    73    62    66  
   68    69    73    62    66  
   70    74    75    76    71    72    77    78    79    80    89    96  
   63    64    65    66    67    68  
   64    65    66  
   65    66  
   66  
   67    68  
    0  
   69    73    82    87  
   73    82  
   74    75    76    71    72    77    96  
   72    77    78    79    80    81    83    89    90    96    97    85    74    75  
   77    78    79    80    89    96  
   82    87    88    93   110  
   75    76  
   76  
    0  
   78    79    80    81    83    84    89    96    91    85    86  
   79    80    81    83    96    85  
   80    81    83    96    85  
   81    83    84    89    90    96    97    91    92    85    86  
   83    84    89    91    85    86  
   87    88    93    94    95   101   106   110  
   84    89    90    96    97    98    99   100    91    92    85    86  
   89    90    96    97    91    92    85  
   86    89    91  
    0  
   88    93    94    95   101   102   103   104   106   107   110   111  
   93    94    95   101   106   110  
   90    96    97    98    99   100    91    92  
   96    97    98    99   100    91  
   92    96    97  
    0  
   94    95   101   102   103   104   105   106   110   108  
   95   101   102   103   104   110  
  101   102   103   104   110  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   110   111   108   109  
  103   104   105   106   108  
  104   105   106   108  
  105   106   107   110   111   112   113   114   108   109  
  106   107   110   111   108   109  
  107   110   111   112   113   114   108   109  
  110   111   112   113   114   108  
  109   110   111  
    0  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   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   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   87   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
  107   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
  108   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  110   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   317.000  1.510
   33    40   317.000  1.522
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   317.000  1.510
   46    48   268.000  1.529
   46    73   268.000  1.529
   46    53   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    58   268.000  1.529
   55    62   268.000  1.529
   55    66   320.000  1.410
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    68   317.000  1.522
   68    69   570.000  1.229
   68    73   317.000  1.522
   73    39   317.000  1.510
   73    82   320.000  1.410
   39    44   465.000  1.376
   44    45   745.000  1.250
   44    47   320.000  1.460
   47    51   469.000  1.400
   47    74   469.000  1.400
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    70   469.000  1.400
   61    71   317.000  1.510
   70    74   469.000  1.400
   70    75   450.000  1.364
   74    40   310.000  1.470
   40    41   570.000  1.229
   75    76   553.000  0.945
   71    72   340.000  1.090
   71    77   268.000  1.529
   71    96   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   268.000  1.529
   80    81   340.000  1.090
   80    83   268.000  1.529
   80    85   320.000  1.410
   83    84   340.000  1.090
   83    89   268.000  1.529
   83    91   320.000  1.410
   89    90   340.000  1.090
   89    96   320.000  1.410
   89    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   91    92   553.000  0.945
   85    86   553.000  0.945
   82    87   320.000  1.380
   87    88   340.000  1.090
   87    93   250.000  1.527
   87   110   320.000  1.380
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   101   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   268.000  1.529
  104   108   320.000  1.410
  106   107   340.000  1.090
  106   110   320.000  1.410
  106   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  108   109   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   553.000  0.945
   53    54   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    39    75.00000  112.20000
   29    33    40    75.00000  110.18000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    39    73    65.00000  117.92700
   33    39    44    70.00000  124.00000
   33    40    74    65.00000  115.47100
   33    40    41    80.00000  120.40000
   37    42    43    35.00000  120.00000
   37    42    46    70.00000  124.00000
   42    37    38    35.00000  120.00000
   42    46    48    70.00000  112.02700
   42    46    73    70.00000  112.02700
   42    46    53    90.00000  110.39200
   46    42    43    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    73    68    63.00000  111.10000
   46    73    39    70.00000  112.02700
   46    73    82    50.00000  109.50000
   46    53    54    55.00000  108.50000
   48    55    58    58.35000  112.70000
   48    55    62    58.35000  112.70000
   48    55    66    50.00000  109.50000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    68    63.00000  111.10000
   55    62    63    37.50000  110.70000
   55    62    64    37.50000  110.70000
   55    62    65    37.50000  110.70000
   55    66    67    55.00000  108.50000
   58    68    69    80.00000  120.40000
   58    68    73    70.00000  116.00000
   60    58    59    33.00000  107.80000
   68    58    59    35.00000  109.50000
   68    58    60    35.00000  109.50000
   68    73    39    70.00000  109.06800
   68    73    82    90.00000  108.74100
   73    46    48    58.35000  112.70000
   73    68    69    80.00000  120.40000
   73    39    44    70.00000  124.00000
   73    82    87    60.00000  109.50000
   39    33    37    70.00000  110.12100
   39    44    45    65.00000  137.10300
   39    44    47    60.00000  123.20500
   44    47    51    60.00000  120.93500
   44    47    74    60.00000  120.93500
   47    44    45    85.00000  114.86500
   47    51    52    35.00000  120.00000
   47    51    56    63.00000  120.00000
   47    74    70    63.00000  120.00000
   47    74    40    60.00000  119.52600
   51    56    57    35.00000  120.00000
   51    56    61    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    61    70    63.00000  120.00000
   56    61    71    70.00000  120.00000
   61    56    57    35.00000  120.00000
   61    70    74    63.00000  120.00000
   61    70    75    70.00000  120.00000
   61    71    72    35.00000  109.50000
   61    71    77    70.00000  112.17500
   61    71    96    85.00000  111.85700
   70    74    40    60.00000  119.52600
   70    75    76    35.00000  113.00000
   74    47    51    63.00000  120.00000
   74    40    41    75.00000  123.78400
   40    33    37    70.00000  109.06800
   40    33    39    70.00000  109.06800
   75    70    74    70.00000  120.00000
   71    61    70    70.00000  120.00000
   71    77    78    37.50000  110.70000
   71    77    79    37.50000  110.70000
   71    77    80    58.35000  112.70000
   71    96    89    60.00000  109.50000
   77    71    72    37.50000  110.70000
   77    80    81    37.50000  110.70000
   77    80    83    58.35000  112.70000
   77    80    85    50.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    37.50000  110.70000
   80    77    79    37.50000  110.70000
   80    83    84    37.50000  110.70000
   80    83    89    58.35000  112.70000
   80    83    91    50.00000  109.50000
   80    85    86    55.00000  108.50000
   83    80    81    37.50000  110.70000
   83    89    90    37.50000  110.70000
   83    89    96    50.00000  109.50000
   83    89    97    58.35000  112.70000
   83    91    92    55.00000  108.50000
   89    83    84    37.50000  110.70000
   89    97    98    37.50000  110.70000
   89    97    99    37.50000  110.70000
   89    97   100    37.50000  110.70000
   96    71    72    35.00000  109.50000
   96    71    77    50.00000  109.50000
   96    89    90    35.00000  109.50000
   97    89    90    37.50000  110.70000
   97    89    96    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   91    83    84    35.00000  109.50000
   91    83    89    50.00000  109.50000
   85    80    81    35.00000  109.50000
   85    80    83    50.00000  109.50000
   82    73    39    85.00000  110.90400
   82    87    88    35.00000  109.50000
   82    87    93    90.00000  108.56700
   82    87   110    92.60000  111.55000
   87    93    94    45.00000  108.72000
   87    93    95    45.00000  108.72000
   87    93   101    75.00000  109.43000
   87   110   106    60.00000  109.50000
   93    87    88    45.00000  112.01100
   93   101   102    37.50000  110.70000
   93   101   103    37.50000  110.70000
   93   101   104    58.35000  112.70000
   95    93    94    33.00000  107.80000
  101    93    94    37.50000  110.70000
  101    93    95    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    58.35000  112.70000
  101   104   108    50.00000  109.50000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   106   107    37.50000  110.70000
  104   106   110    50.00000  109.50000
  104   106   111    58.35000  112.70000
  104   108   109    55.00000  108.50000
  106   104   105    37.50000  110.70000
  106   111   112    37.50000  110.70000
  106   111   113    37.50000  110.70000
  106   111   114    37.50000  110.70000
  110    87    88    35.00000  109.50000
  110    87    93    90.00000  108.56700
  110   106   107    35.00000  109.50000
  111   106   107    37.50000  110.70000
  111   106   110    50.00000  109.50000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  108   104   105    35.00000  109.50000
  108   104   106    50.00000  109.50000
   62    55    58    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    55    58    50.00000  109.50000
   66    55    62    50.00000  109.50000
   53    46    48    50.00000  109.50000
   53    46    73    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
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   80    83    89    96   0.27300  1.0 3.0
   80    83    89    97   0.56750  1.0 1.0
   80    83    89    97  -0.07550 -1.0 2.0
   80    83    89    97   0.20000  1.0 3.0
   80    83    91    92  -0.11600  1.0 1.0
   80    83    91    92  -0.09450 -1.0 2.0
   80    83    91    92   0.21250  1.0 3.0
   81    80    83    84   0.15000  1.0 3.0
   81    80    83    89   0.15000  1.0 3.0
   81    80    83    91   0.23400  1.0 3.0
   81    80    85    86   0.19450  1.0 3.0
   83    80    85    86  -0.11600  1.0 1.0
   83    80    85    86  -0.09450 -1.0 2.0
   83    80    85    86   0.21250  1.0 3.0
   83    89   -96    71   0.06250  1.0 1.0
   83    89   -96    71  -0.01100 -1.0 2.0
   83    89   -96    71   0.28050  1.0 3.0
   83    89    97    98   0.15000  1.0 3.0
   83    89    97    99   0.15000  1.0 3.0
   83    89    97   100   0.15000  1.0 3.0
   84    83    89    90   0.15000  1.0 3.0
   84    83    89    96   0.23400  1.0 3.0
   84    83    89    97   0.15000  1.0 3.0
   84    83    91    92   0.19450  1.0 3.0
   89    83    91    92  -0.11600  1.0 1.0
   89    83    91    92  -0.09450 -1.0 2.0
   89    83    91    92   0.21250  1.0 3.0
   90    89    96    71   0.37050  1.0 3.0
   90    89    97    98   0.15000  1.0 3.0
   90    89    97    99   0.15000  1.0 3.0
   90    89    97   100   0.15000  1.0 3.0
   96    71    77    78   0.23400  1.0 3.0
   96    71    77    79   0.23400  1.0 3.0
   96    71   -77    80   0.62750  1.0 1.0
   96    71   -77    80  -0.30950 -1.0 2.0
   96    71   -77    80   0.27300  1.0 3.0
   96    89    97    98   0.23400  1.0 3.0
   96    89    97    99   0.23400  1.0 3.0
   96    89    97   100   0.23400  1.0 3.0
   97    89    96    71   0.06250  1.0 1.0
   97    89    96    71  -0.01100 -1.0 2.0
   97    89    96    71   0.28050  1.0 3.0
   91    83    89    90   0.23400  1.0 3.0
   91    83    89    96   3.69350  1.0 1.0
   91    83    89    96  -1.82950 -1.0 2.0
   91    83    89    97   0.86500  1.0 1.0
   91    83    89    97  -0.17500 -1.0 2.0
   91    83    89    97   0.20800  1.0 3.0
   85    80    83    84   0.23400  1.0 3.0
   85    80    83    89   0.86500  1.0 1.0
   85    80    83    89  -0.17500 -1.0 2.0
   85    80    83    89   0.20800  1.0 3.0
   85    80    83    91   3.75450  1.0 1.0
   82    73    39    33   0.09700  1.0 1.0
   82    73    39    33   0.15600 -1.0 2.0
   82    73    39    33  -0.50800  1.0 3.0
   82    73    39    44   0.39000  1.0 1.0
   82    73    39    44  -0.05800 -1.0 2.0
   82    73    39    44  -0.55150  1.0 3.0
   82    87    93    94   0.23400  1.0 3.0
   82    87    93    95   0.23400  1.0 3.0
   82    87    93   101   0.62750  1.0 1.0
   82    87    93   101  -0.30950 -1.0 2.0
   82    87    93   101   0.27300  1.0 3.0
   82    87   110   106  -0.81800  1.0 1.0
   87    93   101   102   0.15000  1.0 3.0
   87    93   101   103   0.15000  1.0 3.0
   87    93   101   104   3.97050  1.0 1.0
   88    87    93    94   0.15000  1.0 3.0
   88    87    93    95   0.15000  1.0 3.0
   88    87    93   101   0.15000  1.0 3.0
   88    87   110   106   0.37050  1.0 3.0
   93    87   110   106   0.06250  1.0 1.0
   93    87   110   106  -0.01100 -1.0 2.0
   93    87   110   106   0.28050  1.0 3.0
   93   101   104   105   0.15000  1.0 3.0
   93   101  -104   106   0.56750  1.0 1.0
   93   101  -104   106  -0.07550 -1.0 2.0
   93   101  -104   106   0.20000  1.0 3.0
   93   101   104   108   0.86500  1.0 1.0
   93   101   104   108  -0.17500 -1.0 2.0
   93   101   104   108   0.20800  1.0 3.0
   94    93   101   102   0.15000  1.0 3.0
   94    93   101   103   0.15000  1.0 3.0
   94    93   101   104   0.15000  1.0 3.0
   95    93   101   102   0.15000  1.0 3.0
   95    93   101   103   0.15000  1.0 3.0
   95    93   101   104   0.15000  1.0 3.0
  101   104   106   107   0.15000  1.0 3.0
  101   104   106   110   0.62750  1.0 1.0
  101   104   106   110  -0.30950 -1.0 2.0
  101   104   106   110   0.27300  1.0 3.0
  101   104   106   111   0.56750  1.0 1.0
  101   104   106   111  -0.07550 -1.0 2.0
  101   104   106   111   0.20000  1.0 3.0
  101   104   108   109  -0.11600  1.0 1.0
  101   104   108   109  -0.09450 -1.0 2.0
  101   104   108   109   0.21250  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   108   0.23400  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   108   0.23400  1.0 3.0
  104   106  -110    87   0.06250  1.0 1.0
  104   106  -110    87  -0.01100 -1.0 2.0
  104   106  -110    87   0.28050  1.0 3.0
  104   106   111   112   0.15000  1.0 3.0
  104   106   111   113   0.15000  1.0 3.0
  104   106   111   114   0.15000  1.0 3.0
  105   104   106   107   0.15000  1.0 3.0
  105   104   106   110   0.23400  1.0 3.0
  105   104   106   111   0.15000  1.0 3.0
  105   104   108   109   0.19450  1.0 3.0
  106   104   108   109  -0.11600  1.0 1.0
  106   104   108   109  -0.09450 -1.0 2.0
  106   104   108   109   0.21250  1.0 3.0
  107   106   110    87   0.37050  1.0 3.0
  107   106   111   112   0.15000  1.0 3.0
  107   106   111   113   0.15000  1.0 3.0
  107   106   111   114   0.15000  1.0 3.0
  110    87    93    94   0.23400  1.0 3.0
  110    87    93    95   0.23400  1.0 3.0
  110    87   -93   101   0.62750  1.0 1.0
  110    87   -93   101  -0.30950 -1.0 2.0
  110    87   -93   101   0.27300  1.0 3.0
  110   106   111   112   0.23400  1.0 3.0
  110   106   111   113   0.23400  1.0 3.0
  110   106   111   114   0.23400  1.0 3.0
  111   106   110    87   0.06250  1.0 1.0
  111   106   110    87  -0.01100 -1.0 2.0
  111   106   110    87   0.28050  1.0 3.0
  108   104   106   107   0.23400  1.0 3.0
  108   104   106   110   3.69350  1.0 1.0
  108   104   106   110  -1.82950 -1.0 2.0
  108   104   106   111   0.86500  1.0 1.0
  108   104   106   111  -0.17500 -1.0 2.0
  108   104   106   111   0.20800  1.0 3.0
   62    55    58    59   0.15000  1.0 3.0
   62    55    58    60   0.15000  1.0 3.0
   62    55    58    68  -0.95700  1.0 1.0
   62    55    58    68  -0.18200 -1.0 2.0
   62    55    58    68   0.29450  1.0 3.0
   62    55    66    67  -0.11600  1.0 1.0
   62    55    66    67  -0.09450 -1.0 2.0
   62    55    66    67   0.21250  1.0 3.0
   66    55    58    59   0.23400  1.0 3.0
   66    55    58    60   0.23400  1.0 3.0
   66    55    58    68  -0.09450  1.0 1.0
   66    55    58    68  -1.12950 -1.0 2.0
   66    55    58    68   0.54000  1.0 3.0
   66    55    62    63   0.23400  1.0 3.0
   66    55    62    64   0.23400  1.0 3.0
   66    55    62    65   0.23400  1.0 3.0
   53    46    48    49   0.23400  1.0 3.0
   53    46    48    50   0.23400  1.0 3.0
   53    46    48    55   0.86500  1.0 1.0
   53    46    48    55  -0.17500 -1.0 2.0
   53    46    48    55   0.20800  1.0 3.0
   53    46    73    68  -0.09450  1.0 1.0
   53    46    73    68  -1.12950 -1.0 2.0
   53    46    73    68   0.54000  1.0 3.0
   53    46    73    39   1.05650  1.0 1.0
   53    46    73    39   0.15600 -1.0 2.0
   53    46    73    39   0.53150  1.0 3.0
   53    46    73    82   3.69350  1.0 1.0
   53    46    73    82  -1.82950 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   58    73    68    69  10.50000 -1.0 2.0
   33    73    39    44   1.10000 -1.0 2.0
   47    45    44    39   1.10000 -1.0 2.0
   51    74    47    44   4.00000 -1.0 2.0
   56    52    51    47   1.10000 -1.0 2.0
   61    57    56    51   1.10000 -1.0 2.0
   70    71    61    56   4.00000 -1.0 2.0
   74    75    70    61   4.00000 -1.0 2.0
   70    40    74    47   4.00000 -1.0 2.0
   33    74    40    41  10.50000 -1.0 2.0
END
