* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    210    325     609
    1     0 S   NP   _N1_     1    28.84414    96.87324   -23.96405
    2     1 S   H    _HN1     2     1.02782    96.33142   -70.35254
    3     1 S   H    _H1_     3     1.02952    66.09515    36.93846
    4     1 S   H    _H2_     4     1.02831    48.87228  -178.61704
    5     1 S   CT   _CA1     5     1.50108   150.13688   126.59692
    6     5 S   HC   _HA1     6     1.09573   105.22876   100.36972
    7     5 S   CO3  _C1_     7     1.53792   112.40569   -19.88897
    8     7 S   O2Z  _O11     8     1.26366   115.00788   -43.92641
    9     7 S   O2Z  _O12     9     1.26239   114.94495   135.26305
   10     5 S   CT   _CB1    10     1.53095   107.43379  -141.66772
   11    10 S   HC   HB11    11     1.09828   109.39378   -50.25836
   12    10 S   HC   HB12    12     1.09815   110.42796    66.33952
   13    10 S   CT   _CG1    13     1.52987   112.59949  -171.28364
   14    13 S   HC   HG11    14     1.09592   110.53848   -64.07464
   15    13 S   HC   HG12    15     1.09664   109.88039    55.14256
   16    13 S   C    _CD1    16     1.51802   112.32491   175.57362
   17    16 S   O    _OE1    17     1.22723   123.31752     2.17475
   18    16 S   N    _N2_    18     1.38645   111.59861  -177.84387
   19    18 S   H    _HN2    19     1.01586   118.94514     1.88471
   20    18 S   CT1  _CA2    20     1.46187   123.41814   178.64578
   21    20 S   HC   _HA2    21     1.09733   109.38608    -1.16835
   22    20 S   C    _C2_    22     1.53496   108.61983  -116.71431
   23    22 S   O    _O2_    23     1.23055   122.30421  -148.32920
   24    20 S   CT   _CB2    32     1.53321   111.51439   120.84753
   25    24 S   HC   HB21    33     1.09590   109.99998    55.96534
   26    24 S   HC   HB22    34     1.09470   110.01456   175.02232
   27    22 S   N    _N3_    24     1.38335   113.64902    39.13897
   28    27 S   H    _HN3    25     1.01608   119.55587    -3.49071
   29    24 S   S    _SG2    35     1.82924   111.53622   -65.00836
   30    27 S   CT   _CA3    26     1.45290   123.15210   177.03008
   31    30 S   HC   HA31    27     1.09551   107.51005   -64.33109
   32    30 S   HC   HA32    28     1.09558   107.97323    52.09029
   33    29 S   CT   _C13    36     1.84725    99.73062   171.37680
   34    33 S   HC   _H4_    37     1.09696   104.63266   -49.96986
   35    30 S   CO3  _C3_    29     1.52945   114.11996   174.07755
   36    35 S   O2Z  _O31    30     1.26372   116.05817    -0.98596
   37    35 S   O2Z  _O32    31     1.26430   114.41363   179.08571
   38    33 S   CM   _C11    38     1.53064   109.89798    67.66207
   39    33 S   CT   _C14    64     1.55390   111.08279  -165.61443
   40    39 S   HC   _H5_    65     1.09887   109.34328   -56.98974
   41    38 S   CM   _C10    39     1.35051   118.83016  -119.42075
   42    41 S   HC   _H20    40     1.09054   117.73977    -0.98258
   43    38 S   CT   _C12    60     1.50844   117.57824    61.82259
   44    43 S   HC   _H21    61     1.09414   110.71883   -74.64591
   45    43 S   HC   _H22    62     1.09382   111.00692    45.82421
   46    43 S   HC   _H23    63     1.09228   113.11128   164.57398
   47    39 S   C    _C16    66     1.53670   112.45193  -174.37925
   48    47 S   O    _O33    67     1.22968   119.94514   121.65044
   49    39 S   CT   _C15   111     1.53546   113.23292    62.23498
   50    49 S   HC   _H24   112     1.09535   111.64919    51.18577
   51    49 S   HC   _H25   113     1.09596   110.77681   170.89347
   52    49 S   HC   _H26   114     1.09421   111.51207   -69.70373
   53    41 S   CT   _C8_    41     1.51181   128.37574   178.17394
   54    53 S   HC   _H3_    42     1.09469   111.09489   -12.28779
   55    47 S   N    _N4_    68     1.38817   113.60752   -58.83761
   56    55 S   H    _H27    69     1.01741   117.23066     2.88011
   57    53 S   CT   _C9_    43     1.53306   108.93816  -129.20665
   58    57 S   HC   _H17    44     1.09602   111.62360   -62.85482
   59    57 S   HC   _H18    45     1.09597   110.98768    57.64303
   60    57 S   HC   _H19    46     1.09544   110.65895   177.08355
   61    53 S   CT   _C7_    47     1.54086   111.50022   109.13999
   62    61 S   HC   _H15    48     1.09806   110.18456    53.77372
   63    61 S   HC   _H16    49     1.09771   108.99276   170.43224
   64    55 S   CM   _C17    70     1.38233   129.01012  -178.21031
   65    61 S   CT   _C6_    50     1.53266   112.78326   -68.93609
   66    65 S   HC   _H13    51     1.09520   110.24631    61.52574
   67    65 S   HC   _H14    52     1.09674   109.39614   -56.12394
   68    64 S   CM   _C18    71     1.34432   126.12235     4.95476
   69    68 S   HC   _H28    72     1.08608   119.73605    -0.46394
   70    65 S   CT   _C5_    53     1.52802   111.41555  -177.23671
   71    70 S   HC   _H11    54     1.09612   110.01258    57.09000
   72    70 S   HC   _H12    55     1.09581   109.77619   -60.66700
   73    68 S   CT   _C19    73     1.52105   126.00067   177.04514
   74    70 S   CT   _C4_    56     1.52042   111.27145   178.09217
   75    74 S   HC   _H8_    57     1.09451   111.09144    58.53511
   76    74 S   HC   _H9_    58     1.09440   110.28913   178.48742
   77    74 S   HC   _H10    59     1.09472   110.92670   -61.82199
   78    73 S   C3T  _C20    74     1.50763   114.02308    14.30133
   79    78 S   HC   _H6_    75     1.08145   114.87620  -168.14964
   80    73 S   CM   _C23    81     1.52333   108.09623  -114.02407
   81    80 S   HC   _H29    82     1.09028   115.41695   -72.89033
   82    73 S   OH   _O39   109     1.43490   107.78739   131.29667
   83    82 S   HO   _H41   110     0.97215   108.73582    53.21141
   84    78 S   C3T  _C21    76     1.49633   118.91332   -14.67689
   85    84 S   HC   _H7_    77     1.08362   117.31283  -148.74975
   86    80 S   CM   _C24    83     1.34355   126.33312   106.31928
   87    86 S   HC   _H30    84     1.08650   120.28335    -0.25488
   88    64 S   CO4  _C22    78     1.49926   114.08294  -175.74715
   89    88 S   O    _O34    79     1.22617   121.72724    -7.18993
   90    78 S   O3T  _O35    80     1.43711   115.90584    52.24732
   91    86 S   CM   _C25    85     1.44686   122.95703  -179.71333
   92    91 S   HC   _H31    86     1.08792   117.07513    -0.25179
   93    91 S   CM   _C26    87     1.34176   122.99687   179.76015
   94    93 S   HC   _H32    88     1.08787   119.97866    -0.00000
   95    93 S   CM   _C27    89     1.44709   122.96323   179.97202
   96    95 S   HC   _H33    90     1.08758   116.86837     0.00000
   97    95 S   CM   _C28    91     1.34051   122.75771  -179.98022
   98    97 S   HC   _H34    92     1.08486   121.46473    -0.00000
   99    97 S   C    _C29    93     1.48837   120.02482   179.96574
  100    99 S   O    _O36    94     1.22621   122.65910    -0.34718
  101    99 S   N    _N5_    95     1.38317   112.06619   179.74207
  102   101 S   H    _H35    96     1.01571   119.86538    -0.34830
  103   101 S   CT1  _C30    97     1.44278   121.92489  -179.26618
  104   103 S   HC   _H36    98     1.09355   112.60264   -30.58132
  105   103 S   CO4  _C31    99     1.51026   110.77216  -154.41501
  106   105 S   O    _O37   100     1.22390   124.77254    50.46099
  107   105 S   CT   _C32   101     1.50868   111.25487  -131.55587
  108   107 S   HC   _H37   102     1.09282   110.92174   140.37309
  109   107 S   HC   _H38   103     1.09426   108.58905   -98.68561
  110   107 S   CT   _C33   104     1.52915   104.93816    19.92446
  111   110 S   HC   _H39   105     1.09281   111.41159  -137.76053
  112   110 S   HC   _H40   106     1.09445   110.57179    99.61590
  113   103 S   CO4  _C34   107     1.51310   110.33058    92.26896
  114   113 S   O    _O38   108     1.22438   124.82318   -56.78453
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  18   7   2   1   1  14  12   7  15   5   4   2   1   1  10   4
   4   2   1   1  12   8   8   3   7   3   2   1   9   5   4  11
   9   5   4  13   5   6   5   4  13   3   2   1   1  11   6  10
   4   4   1   4   3   6   3   2   1   1   6   3   6   3   6   3
   6   3   7   3   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    43    39    40    47    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    53    43    44    45    46    39    40    47    48    55    49    50    51    52  
   38    41    43    39    40    47    49  
   36    37  
   37  
    0  
   41    42    53    54    57    61    43    44    45    46    39    40    47    49  
   40    47    48    55    56    64    49    50    51    52    41    43  
   47    48    55    49    50    51    52  
   42    53    54    57    58    59    60    61    62    63    65    43    44    45    46  
   53    54    57    61    43  
   44    45    46    53  
   45    46  
   46  
    0  
   48    55    56    64    68    88    49    50    51    52  
   55    56    64    49  
   50    51    52    55  
   51    52  
   52  
    0  
   54    57    58    59    60    61    62    63    65    66    67    70  
   57    58    59    60    61    62    63    65  
   56    64    68    69    73    84    88    89  
   64    68    88  
   58    59    60    61    62    63    65  
   59    60    61  
   60    61  
   61  
   62    63    65    66    67    70    71    72    74  
   63    65    66    67    70  
   65    66    67    70  
   68    69    73    78    84    85    88    89    90    80    82  
   66    67    70    71    72    74    75    76    77  
   67    70    71    72    74  
   70    71    72    74  
   69    73    78    79    84    88    89    90    80    81    86    82    83  
   73    78    88    80    82  
   71    72    74    75    76    77  
   72    74    75    76    77  
   74    75    76    77  
   78    79    84    85    88    90    80    81    86    87    91    82    83  
   75    76    77  
   76    77  
   77  
    0  
   79    84    85    88    89    90    80    81    86    82    83  
   84    85    88    90    80    82  
   81    86    87    91    92    93    82    83    84    90  
   86    87    91    82  
   83    84    86    90  
    0  
   85    88    89    90  
   88    89    90  
   87    91    92    93    94    95  
   91    92    93  
   89    90  
   90  
    0  
   92    93    94    95    96    97  
   93    94    95  
   94    95    96    97    98    99  
   95    96    97  
   96    97    98    99   100   101  
   97    98    99  
   98    99   100   101   102   103  
   99   100   101  
  100   101   102   103   104   105   113  
  101   102   103  
  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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   56   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.051300   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   87   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   92   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   96   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5500   0.0760  -0.171700   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
  100   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
  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   317.000  1.510
   33    39   268.000  1.529
   38    41   549.000  1.340
   38    43   317.000  1.510
   41    42   340.000  1.080
   41    53   317.000  1.510
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    61   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   39    40   340.000  1.090
   39    47   317.000  1.522
   39    49   268.000  1.529
   47    48   570.000  1.229
   47    55   490.000  1.335
   55    56   434.000  1.010
   55    64   400.000  1.384
   64    68   549.000  1.340
   64    88   320.000  1.462
   68    69   340.000  1.080
   68    73   317.000  1.510
   73    78   275.000  1.510
   73    80   317.000  1.510
   73    82   320.000  1.410
   78    79   340.000  1.088
   78    84   260.000  1.509
   78    90   335.000  1.432
   84    85   340.000  1.088
   84    88   290.000  1.496
   84    90   335.000  1.432
   88    89   570.000  1.229
   80    81   340.000  1.080
   80    86   549.000  1.340
   86    87   340.000  1.080
   86    91   380.000  1.444
   91    92   340.000  1.080
   91    93   549.000  1.340
   93    94   340.000  1.080
   93    95   380.000  1.444
   95    96   340.000  1.080
   95    97   549.000  1.340
   97    98   340.000  1.080
   97    99   410.000  1.444
   99   100   570.000  1.229
   99   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
   82    83   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    43    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    47    63.00000  111.10000
   33    39    49    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    53    70.00000  124.00000
   38    43    44    35.00000  109.50000
   38    43    45    35.00000  109.50000
   38    43    46    35.00000  109.50000
   41    53    54    35.00000  109.50000
   41    53    57    70.00000  112.02700
   41    53    61    70.00000  112.02700
   53    41    42    35.00000  117.00000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   53    61    62    37.50000  110.70000
   53    61    63    37.50000  110.70000
   53    61    65    58.35000  112.70000
   57    53    54    37.50000  110.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    53    54    37.50000  110.70000
   61    53    57    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    74    58.35000  112.70000
   67    65    66    33.00000  107.80000
   70    65    66    37.50000  110.70000
   70    65    67    37.50000  110.70000
   70    74    75    37.50000  110.70000
   70    74    76    37.50000  110.70000
   70    74    77    37.50000  110.70000
   72    70    71    33.00000  107.80000
   74    70    71    37.50000  110.70000
   74    70    72    37.50000  110.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   43    38    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    47    48    80.00000  120.40000
   39    47    55    70.00000  116.60000
   39    49    50    37.50000  110.70000
   39    49    51    37.50000  110.70000
   39    49    52    37.50000  110.70000
   47    39    40    35.00000  109.50000
   47    55    56    35.00000  119.80000
   47    55    64    70.00000  120.89900
   55    47    48    80.00000  122.90000
   55    64    68    75.00000  120.83300
   55    64    88    70.00000  117.92000
   64    55    56    45.00000  117.55000
   64    68    69    35.00000  120.00000
   64    68    73    70.00000  124.00000
   64    88    84    65.00000  118.62400
   64    88    89    80.00000  123.72100
   68    73    78    70.00000  112.02700
   68    73    80    70.00000  110.12100
   68    73    82    90.00000  110.39200
   73    68    69    35.00000  117.00000
   73    78    79    40.00000  115.04500
   73    78    84    60.00000  120.94000
   73    78    90    80.00000  116.47100
   73    80    81    35.00000  117.00000
   73    80    86    70.00000  124.00000
   73    82    83    55.00000  108.50000
   78    84    85    37.50000  117.20000
   78    84    88    65.00000  117.18000
   78    84    90    15.00000   60.43100
   78    90    84    15.00000   59.14900
   84    78    79    37.50000  117.20000
   84    88    89    75.00000  121.36600
   88    64    68    65.00000  118.96000
   88    84    85    40.00000  116.18000
   90    78    79    50.00000  114.27700
   90    78    84    15.00000   60.43100
   90    84    85    50.00000  114.27700
   90    84    88    80.00000  114.91000
   80    73    78    70.00000  112.02700
   80    86    87    35.00000  120.00000
   80    86    91    70.00000  123.01800
   86    80    81    35.00000  120.00000
   86    91    92    35.00000  120.00000
   86    91    93    70.00000  123.01800
   91    86    87    35.00000  120.00000
   91    93    94    35.00000  120.00000
   91    93    95    70.00000  123.01800
   93    91    92    35.00000  120.00000
   93    95    96    35.00000  120.00000
   93    95    97    70.00000  123.01800
   95    93    94    35.00000  120.00000
   95    97    98    35.00000  120.00000
   95    97    99    70.00000  118.70000
   97    95    96    35.00000  120.00000
   97    99   100    80.00000  125.30000
   97    99   101    80.00000  111.56200
   99    97    98    35.00000  119.70000
   99   101   102    35.00000  119.80000
   99   101   103    50.00000  121.90000
  101    99   100    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
   82    73    78    50.00000  109.50000
   82    73    80    90.00000  110.39200
   49    39    40    37.50000  110.70000
   49    39    47    63.00000  111.10000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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
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  106   105   107   110   0.30150 -1.0 2.0
  107   110  -113   103   0.60050  1.0 1.0
  107   110  -113   103   0.05600 -1.0 2.0
  107   110  -113   103   0.26150  1.0 3.0
  107   110   113   114   0.30150 -1.0 2.0
  108   107   110   111   0.15000  1.0 3.0
  108   107   110   112   0.15000  1.0 3.0
  108   107   110   113  -0.11250  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  109   107   110   112   0.15000  1.0 3.0
  109   107   110   113  -0.11250  1.0 3.0
  111   110   113   103   0.00000  1.0 1.0
  111   110   113   114   0.00000  1.0 1.0
  112   110   113   103   0.00000  1.0 1.0
  112   110   113   114   0.00000  1.0 1.0
  113   103   105   106   0.30150 -1.0 2.0
  113   103  -105   107   0.65300  1.0 1.0
  113   103  -105   107  -0.03850 -1.0 2.0
  113   103  -105   107   0.33900  1.0 3.0
   82    73    78    79   0.23400  1.0 3.0
   82    73    78    84   0.86500  1.0 1.0
   82    73    78    84  -0.17500 -1.0 2.0
   82    73    78    84   0.20800  1.0 3.0
   82    73    78    90   3.69350  1.0 1.0
   82    73    78    90  -1.82950 -1.0 2.0
   82    73    80    81   0.00000  1.0 1.0
   82    73    80    86   0.67800  1.0 1.0
   82    73    80    86   0.47050 -1.0 2.0
   82    73    80    86  -0.62500  1.0 3.0
   49    39    47    48   0.30150 -1.0 2.0
   49    39    47    55   1.39750  1.0 1.0
   49    39    47    55  -0.07950 -1.0 2.0
   49    39    47    55  -0.18750  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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    41  15.00000 -1.0 2.0
   53    42    41    38  15.00000 -1.0 2.0
   39    55    47    48  10.50000 -1.0 2.0
   56    47    55    64   1.00000 -1.0 2.0
   55    88    64    68   1.10000 -1.0 2.0
   73    69    68    64   1.10000 -1.0 2.0
   64    84    88    89  10.50000 -1.0 2.0
   73    81    80    86  15.00000 -1.0 2.0
   91    87    86    80  15.00000 -1.0 2.0
   86    92    91    93  15.00000 -1.0 2.0
   95    94    93    91  15.00000 -1.0 2.0
   93    96    95    97  15.00000 -1.0 2.0
   99    98    97    95  15.00000 -1.0 2.0
   97   101    99   100  10.50000 -1.0 2.0
  102    99   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
END
