* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    210    325     609
    1     0 S   NP   _N1_     1    28.65764    96.54566   -20.80866
    2     1 S   H    _HN1     2     1.02951    78.07931    32.57951
    3     1 S   H    _H1_     3     1.02828    42.48860   164.98396
    4     1 S   H    _H2_     4     1.02777    88.83867   -76.49969
    5     1 S   CT   _CA1     5     1.50142   151.86563   143.65213
    6     5 S   HC   _HA1     6     1.09578   105.15944    74.28380
    7     5 S   CO3  _C1_     7     1.53773   112.41672   -45.76479
    8     7 S   O2Z  _O11     8     1.26357   115.00019   -41.49913
    9     7 S   O2Z  _O12     9     1.26221   114.91521   137.44887
   10     5 S   CT   _CB1    10     1.53078   107.38686  -167.86690
   11    10 S   HC   HB11    11     1.09819   109.22054   -50.24432
   12    10 S   HC   HB12    12     1.09808   110.48247    66.31156
   13    10 S   CT   _CG1    13     1.52962   112.65821  -171.33292
   14    13 S   HC   HG11    14     1.09507   110.42606   -65.47595
   15    13 S   HC   HG12    15     1.09673   109.93146    53.51180
   16    13 S   C    _CD1    16     1.51881   112.41285   173.47601
   17    16 S   O    _OE1    17     1.22725   123.32350    -4.25607
   18    16 S   N    _N2_    18     1.38561   111.61374   176.80573
   19    18 S   H    _HN2    19     1.01661   118.78592    -1.93270
   20    18 S   CT1  _CA2    20     1.46229   123.67070   175.36604
   21    20 S   HC   _HA2    21     1.09734   109.46813    -2.13442
   22    20 S   C    _C2_    22     1.53510   108.24148  -117.44391
   23    22 S   O    _O2_    23     1.23049   122.37227  -147.12310
   24    20 S   CT   _CB2    32     1.53267   111.39528   120.26802
   25    24 S   HC   HB21    33     1.09418   109.64421    52.52302
   26    24 S   HC   HB22    34     1.09497   110.72369   171.42513
   27    22 S   N    _N3_    24     1.38372   113.59021    40.46190
   28    27 S   H    _HN3    25     1.01612   119.54916    -3.86959
   29    24 S   S    _SG2    35     1.82718   111.31636   -69.42907
   30    27 S   CT   _CA3    26     1.45286   123.13189   176.92095
   31    30 S   HC   HA31    27     1.09553   107.57226   -62.58960
   32    30 S   HC   HA32    28     1.09558   107.88916    53.80595
   33    29 S   CT   _C18    36     1.85494    99.91751   166.42658
   34    33 S   HC   _H5_    37     1.09878   103.87544    39.86408
   35    30 S   CO3  _C3_    29     1.52938   114.15379   175.75328
   36    35 S   O2Z  _O31    30     1.26364   116.08132    -0.61866
   37    35 S   O2Z  _O32    31     1.26437   114.40492   179.41483
   38    33 S   CT1  _C17    38     1.54664   111.93114   -75.79461
   39    38 S   HC   _H4_    39     1.09677   108.24234    67.12115
   40    38 S   CO4  _C22    40     1.52321   114.71143  -175.86857
   41    40 S   O    _O34    41     1.22789   122.19581  -169.70235
   42    38 S   N    _N4_    78     1.45725   114.28771   -53.68157
   43    42 S   H    _H28    79     1.01483   118.33284   -73.02698
   44    40 S   C3T  _C21    42     1.47856   118.61751    15.04054
   45    44 S   HC   _H7_    43     1.08418   116.02315   159.64610
   46    42 S   C    _C16    80     1.38102   123.27468   107.24400
   47    46 S   O    _O33    81     1.22539   126.79461     3.46972
   48    44 S   C3T  _C20    44     1.50024   121.06490     7.46056
   49    48 S   HC   _H6_    45     1.08247   119.29825   153.03972
   50    46 S   CM   _C14    82     1.48694   111.71465  -175.73391
   51    33 S   CT   _C19    46     1.56892   112.80846   154.85399
   52    44 S   O3T  _O35    77     1.43713   114.45642   -59.14176
   53    50 S   CM   _C13    83     1.34408   115.45078  -103.56304
   54    53 S   HC   _H24    84     1.08995   119.29001    -0.76438
   55    50 S   CT   _C15   111     1.49559   116.04668    78.82360
   56    55 S   HC   _H25   112     1.09406   110.33776   -81.08490
   57    55 S   HC   _H26   113     1.09328   112.49404   157.80433
   58    55 S   HC   _H27   114     1.09466   110.65477    38.37088
   59    51 S   CM   _C23    47     1.52194   113.34665    54.77199
   60    59 S   HC   _H29    48     1.08981   115.36422   -70.79740
   61    51 S   OH   _O39    75     1.43788   108.17277   -61.71852
   62    61 S   HO   _H41    76     0.97270   107.98992   -57.51535
   63    53 S   CM   _C11    85     1.45808   126.64196  -178.99322
   64    59 S   CM   _C24    49     1.34333   126.60794   109.17750
   65    64 S   HC   _H30    50     1.08623   120.39342    -0.23070
   66    63 S   CM   _C10    86     1.34815   121.47724   -53.92855
   67    66 S   HC   _H20    87     1.09046   118.33660     0.99367
   68    63 S   CT   _C12   107     1.50368   113.52554   127.54264
   69    68 S   HC   _H21   108     1.09520   110.29141    77.05264
   70    68 S   HC   _H22   109     1.09566   110.77245   -42.57660
   71    68 S   HC   _H23   110     1.09274   113.04101  -161.55949
   72    64 S   CM   _C25    51     1.44621   123.04512  -177.95464
   73    72 S   HC   _H31    52     1.08780   117.23134    -4.35919
   74    66 S   CT   _C8_    88     1.51223   127.41655  -178.78373
   75    74 S   HC   _H3_    89     1.09467   111.01405    10.78509
   76    72 S   CM   _C26    53     1.34140   122.67668   174.13325
   77    76 S   HC   _H32    54     1.08802   119.91587     0.62087
   78    74 S   CT   _C9_    90     1.53105   108.99690  -107.81309
   79    78 S   HC   _H17    91     1.09617   111.56262   -61.97279
   80    78 S   HC   _H18    92     1.09535   110.69972   177.91343
   81    78 S   HC   _H19    93     1.09585   111.01637    58.47080
   82    74 S   CT   _C7_    94     1.54125   111.77638   130.55624
   83    82 S   HC   _H15    95     1.09737   108.78298   175.31007
   84    82 S   HC   _H16    96     1.09613   109.86056    58.94534
   85    76 S   CM   _C27    55     1.44629   123.11346  -178.23975
   86    85 S   HC   _H33    56     1.08743   117.07439    -2.40102
   87    82 S   CT   _C6_    97     1.53196   113.42621   -63.74629
   88    87 S   HC   _H13    98     1.09669   109.50581   -56.73087
   89    87 S   HC   _H14    99     1.09609   110.23749    61.03634
   90    85 S   CM   _C28    57     1.34008   122.44408   176.52571
   91    90 S   HC   _H34    58     1.08501   121.48056     0.15195
   92    87 S   CT   _C5_   100     1.52947   111.00188  -177.91578
   93    92 S   HC   _H11   101     1.09597   109.79838   -59.69285
   94    92 S   HC   _H12   102     1.09620   109.96105    58.06335
   95    90 S   C    _C29    59     1.48743   120.10310  -178.58598
   96    95 S   O    _O36    60     1.22584   122.71612   -10.28727
   97    92 S   CT   _C4_   103     1.52008   111.50372   179.28893
   98    97 S   HC   _H8_   104     1.09466   110.99851   -60.34068
   99    97 S   HC   _H9_   105     1.09449   110.25170   179.92087
  100    97 S   HC   _H10   106     1.09468   110.99900    60.18293
  101    95 S   N    _N5_    61     1.38282   111.84368   169.16349
  102   101 S   H    _H35    62     1.01564   119.76246     0.29541
  103   101 S   CT1  _C30    63     1.44236   122.11616  -178.36781
  104   103 S   HC   _H36    64     1.09333   112.54504   -34.81755
  105   103 S   CO4  _C31    65     1.51042   110.41202  -158.70494
  106   105 S   O    _O37    66     1.22392   124.74210    51.14049
  107   105 S   CT   _C32    67     1.50861   111.30120  -130.61462
  108   107 S   HC   _H37    68     1.09280   110.92940   140.28004
  109   107 S   HC   _H38    69     1.09425   108.57666   -98.75415
  110   107 S   CT   _C33    70     1.52878   104.91114    19.85674
  111   110 S   HC   _H39    71     1.09274   111.44365  -138.45842
  112   110 S   HC   _H40    72     1.09445   110.59761    98.86648
  113   103 S   CO4  _C34    73     1.51343   110.35367    88.20556
  114   113 S   O    _O38    74     1.22431   124.82533   -58.20246
  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
  18   8   2   1   1  15   7  10   5   8   3   7   4   9   3   8
   4   9   8   2  13   4   4   2   1   1   8   4   2   1  10   6
   3  15   5   4   2   1   1   6   3  12   8   6   3   7   3   2
   1   9   5   4   6   3   9   5   4   6   3   6   5   4   7   3
   3   2   1   1   9   4  11   6   9   5   7   5   4   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    51    59    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    51    59    60    64    61    62    52    42    43    46  
   38    39    40    48    51    59    61    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    51    59    61    52    42    43    46    47    50  
   40    41    44    51    42    43    46  
   41    44    45    48    49    51    52    42    43    46  
   44    45    48    52    42  
   43    46    47    50    53    55    44    51  
   46    47    50  
   45    48    49    51    59    61    52  
   48    49    51    52  
   47    50    53    54    63    55    56    57    58  
   50    53    55  
   49    51    59    60    64    61    62    52  
   51    59    61    52  
   53    54    63    66    68    55    56    57    58  
   59    60    64    65    72    61    62    52  
   59    61  
   54    63    66    67    74    68    69    70    71    55    56    57    58  
   63    66    68    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    65    72    73    76    61    62  
   64    65    72    61  
   62    64  
    0  
   66    67    74    75    78    82    68    69    70    71  
   65    72    73    76    77    85  
   72    73    76  
   67    74    75    78    79    80    81    82    83    84    87    68    69    70    71  
   74    75    78    82    68  
   69    70    71    74  
   70    71  
   71  
    0  
   73    76    77    85    86    90  
   76    77    85  
   75    78    79    80    81    82    83    84    87    88    89    92  
   78    79    80    81    82    83    84    87  
   77    85    86    90    91    95  
   85    86    90  
   79    80    81    82    83    84    87  
   80    81    82  
   81    82  
   82  
   83    84    87    88    89    92    93    94    97  
   84    87    88    89    92  
   87    88    89    92  
   86    90    91    95    96   101  
   90    91    95  
   88    89    92    93    94    97    98    99   100  
   89    92    93    94    97  
   92    93    94    97  
   91    95    96   101   102   103  
   95    96   101  
   93    94    97    98    99   100  
   94    97    98    99   100  
   97    98    99   100  
   96   101   102   103   104   105   113  
  101   102   103  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106   107   110   113   114  
  103   104   105   113  
  104   105   106   107   108   109   110   111   112   113   114  
  105   106   107   110   113   114  
  106   107   108   109   110   111   112   113   114  
  107   108   109   110   113  
  108   109   110   111   112   113   114  
  109   110   111   112   113  
  110   111   112   113  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   43   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   44   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.056700   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   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   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
  102   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
  103   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
  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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
  114   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   255.000  1.522
   38    42   337.000  1.449
   40    41   570.000  1.229
   40    44   290.000  1.496
   44    45   340.000  1.088
   44    48   260.000  1.509
   44    52   335.000  1.432
   48    49   340.000  1.088
   48    51   275.000  1.510
   48    52   335.000  1.432
   51    59   317.000  1.510
   51    61   320.000  1.410
   59    60   340.000  1.080
   59    64   549.000  1.340
   64    65   340.000  1.080
   64    72   380.000  1.444
   72    73   340.000  1.080
   72    76   549.000  1.340
   76    77   340.000  1.080
   76    85   380.000  1.444
   85    86   340.000  1.080
   85    90   549.000  1.340
   90    91   340.000  1.080
   90    95   410.000  1.444
   95    96   570.000  1.229
   95   101   490.000  1.335
  101   102   434.000  1.010
  101   103   337.000  1.449
  103   104   340.000  1.090
  103   105   255.000  1.522
  103   113   255.000  1.522
  105   106   570.000  1.229
  105   107   317.000  1.522
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
  110   113   317.000  1.522
  113   114   570.000  1.229
   61    62   553.000  0.945
   42    43   434.000  1.010
   42    46   490.000  1.335
   46    47   570.000  1.229
   46    50   410.000  1.444
   50    53   549.000  1.340
   50    55   317.000  1.510
   53    54   340.000  1.080
   53    63   380.000  1.444
   63    66   549.000  1.340
   63    68   317.000  1.510
   66    67   340.000  1.080
   66    74   317.000  1.510
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    82   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    92   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  108.68000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    70.00000  110.61500
   33    38    42    80.00000  109.70000
   33    51    48    70.00000  112.37300
   33    51    59    70.00000  112.02700
   33    51    61    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    75.00000  123.42600
   38    40    44    65.00000  117.09000
   38    42    43    38.00000  118.40000
   38    42    46    50.00000  121.90000
   40    38    39    45.00000  110.09800
   40    44    45    40.00000  116.18000
   40    44    48    65.00000  117.18000
   40    44    52    80.00000  114.91000
   44    40    41    75.00000  121.36600
   44    48    49    37.50000  117.20000
   44    48    51    60.00000  120.94000
   44    48    52    15.00000   60.43100
   44    52    48    15.00000   59.14900
   48    44    45    37.50000  117.20000
   48    51    59    70.00000  112.02700
   48    51    61    50.00000  109.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    48    49    40.00000  115.04500
   51    59    60    35.00000  117.00000
   51    59    64    70.00000  124.00000
   51    61    62    55.00000  108.50000
   59    64    65    35.00000  120.00000
   59    64    72    70.00000  123.01800
   64    59    60    35.00000  120.00000
   64    72    73    35.00000  120.00000
   64    72    76    70.00000  123.01800
   72    64    65    35.00000  120.00000
   72    76    77    35.00000  120.00000
   72    76    85    70.00000  123.01800
   76    72    73    35.00000  120.00000
   76    85    86    35.00000  120.00000
   76    85    90    70.00000  123.01800
   85    76    77    35.00000  120.00000
   85    90    91    35.00000  120.00000
   85    90    95    70.00000  118.70000
   90    85    86    35.00000  120.00000
   90    95    96    80.00000  125.30000
   90    95   101    80.00000  111.56200
   95    90    91    35.00000  119.70000
   95   101   102    35.00000  119.80000
   95   101   103    50.00000  121.90000
  101    95    96    80.00000  122.90000
  101   103   104    35.00000  109.50000
  101   103   105    80.00000  110.29000
  101   103   113    80.00000  110.29000
  103   101   102    38.00000  118.40000
  103   105   106    75.00000  123.42600
  103   105   107    65.00000  117.09000
  103   113   110    65.00000  117.09000
  103   113   114    75.00000  123.42600
  105   103   104    45.00000  110.09800
  105   107   108    35.00000  109.50000
  105   107   109    35.00000  109.50000
  105   107   110    63.00000  111.10000
  107   105   106    80.00000  120.40000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  107   110   113    63.00000  111.10000
  109   107   108    33.00000  107.80000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  110   113   114    80.00000  120.40000
  112   110   111    33.00000  107.80000
  113   103   104    45.00000  110.09800
  113   103   105    65.00000  112.16000
  113   110   111    35.00000  109.50000
  113   110   112    35.00000  109.50000
   61    51    59    90.00000  110.39200
   52    44    45    50.00000  114.27700
   52    44    48    15.00000   60.43100
   52    48    49    50.00000  114.27700
   52    48    51    80.00000  116.47100
   42    38    39    35.00000  109.50000
   42    38    40    80.00000  110.29000
   42    46    47    80.00000  122.90000
   42    46    50    80.00000  111.56200
   46    42    43    35.00000  119.80000
   46    50    53    70.00000  118.70000
   46    50    55    70.00000  119.70000
   50    46    47    80.00000  125.30000
   50    53    54    35.00000  120.00000
   50    53    63    70.00000  123.01800
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   53    63    66    70.00000  123.01800
   53    63    68    70.00000  124.00000
   63    53    54    35.00000  120.00000
   63    66    67    35.00000  120.00000
   63    66    74    70.00000  124.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   66    74    75    35.00000  109.50000
   66    74    78    70.00000  112.02700
   66    74    82    70.00000  112.02700
   74    66    67    35.00000  117.00000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    81    37.50000  110.70000
   74    82    83    37.50000  110.70000
   74    82    84    37.50000  110.70000
   74    82    87    58.35000  112.70000
   78    74    75    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    74    75    37.50000  110.70000
   82    74    78    58.35000  112.70000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    92    58.35000  112.70000
   84    82    83    33.00000  107.80000
   87    82    83    37.50000  110.70000
   87    82    84    37.50000  110.70000
   87    92    93    37.50000  110.70000
   87    92    94    37.50000  110.70000
   87    92    97    58.35000  112.70000
   89    87    88    33.00000  107.80000
   92    87    88    37.50000  110.70000
   92    87    89    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   94    92    93    33.00000  107.80000
   97    92    93    37.50000  110.70000
   97    92    94    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   68    63    66    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    50    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
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
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   82    74    78    79   0.15000  1.0 3.0
   82    74    78    80   0.15000  1.0 3.0
   82    74    78    81   0.15000  1.0 3.0
   82    87    92    93   0.15000  1.0 3.0
   82    87    92    94   0.15000  1.0 3.0
   82    87    92    97   0.56750  1.0 1.0
   82    87    92    97  -0.07550 -1.0 2.0
   82    87    92    97   0.20000  1.0 3.0
   83    82    87    88   0.15000  1.0 3.0
   83    82    87    89   0.15000  1.0 3.0
   83    82    87    92   0.15000  1.0 3.0
   84    82    87    88   0.15000  1.0 3.0
   84    82    87    89   0.15000  1.0 3.0
   84    82    87    92   0.15000  1.0 3.0
   87    92    97    98   0.15000  1.0 3.0
   87    92    97    99   0.15000  1.0 3.0
   87    92    97   100   0.15000  1.0 3.0
   88    87    92    93   0.15000  1.0 3.0
   88    87    92    94   0.15000  1.0 3.0
   88    87    92    97   0.15000  1.0 3.0
   89    87    92    93   0.15000  1.0 3.0
   89    87    92    94   0.15000  1.0 3.0
   89    87    92    97   0.15000  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   94    92    97    98   0.15000  1.0 3.0
   94    92    97    99   0.15000  1.0 3.0
   94    92    97   100   0.15000  1.0 3.0
   68    63    66    67   7.00000 -1.0 2.0
   68    63    66    74   7.00000 -1.0 2.0
   55    50    53    54   7.00000 -1.0 2.0
   55    50    53    63   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    44    40    41  10.50000 -1.0 2.0
   51    60    59    64  15.00000 -1.0 2.0
   72    65    64    59  15.00000 -1.0 2.0
   64    73    72    76  15.00000 -1.0 2.0
   85    77    76    72  15.00000 -1.0 2.0
   76    86    85    90  15.00000 -1.0 2.0
   95    91    90    85  15.00000 -1.0 2.0
   90   101    95    96  10.50000 -1.0 2.0
  102    95   101   103   1.00000 -1.0 2.0
  103   107   105   106  10.50000 -1.0 2.0
  103   110   113   114  10.50000 -1.0 2.0
   43    46    42    38   1.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   46    55    50    53  15.00000 -1.0 2.0
   63    54    53    50  15.00000 -1.0 2.0
   53    68    63    66  15.00000 -1.0 2.0
   74    67    66    63  15.00000 -1.0 2.0
END
