* LIGAND DATABASE FILE (OPLS2005)
*
001     113   114    214    323     628
    1     0 S   NP   _N1_     1    29.33011    96.22727   -17.35478
    2     1 S   H    _HN1     2     1.02776    70.89090   -60.08992
    3     1 S   H    _H1_     3     1.02957    97.04003    46.89699
    4     1 S   H    _H2_     4     1.02832    44.08221   154.25686
    5     1 S   CT   _CA1     5     1.50134   148.69454  -161.59268
    6     5 S   HC   _HA1     6     1.09604   105.13331    27.94653
    7     5 S   CO3  _C1_     7     1.53624   112.27862   -91.82805
    8     7 S   O2Z  _O11     8     1.26324   115.06059   -48.58340
    9     7 S   O2Z  _O12     9     1.26232   114.71462   130.17504
   10     5 S   CT   _CB1    10     1.53030   107.38619   145.32196
   11    10 S   HC   HB11    11     1.09807   108.70358   -54.42140
   12    10 S   HC   HB12    12     1.09817   110.64725    61.84421
   13    10 S   CT   _CG1    13     1.53064   112.86717  -175.88158
   14    13 S   HC   HG11    14     1.09587   110.14955   -69.51266
   15    13 S   HC   HG12    15     1.09656   110.18945    49.56339
   16    13 S   C    _CD1    16     1.51870   112.21529   169.16533
   17    16 S   O    _OE1    17     1.22781   123.07473   -11.97907
   18    16 S   N    _N2_    18     1.38566   111.96583   169.63160
   19    18 S   H    _HN2    19     1.01654   119.18218    -3.28187
   20    18 S   CT1  _CA2    20     1.46189   123.24693   177.46889
   21    20 S   HC   _HA2    21     1.09744   109.19533   -12.10825
   22    20 S   C    _C2_    22     1.53539   108.65885  -127.48226
   23    22 S   O    _O2_    23     1.23044   122.15978  -150.08157
   24    20 S   CT   _CB2    32     1.53391   111.82880   109.95889
   25    24 S   HC   HB21    33     1.09257   109.76398    58.20510
   26    24 S   HC   HB22    34     1.09546   110.20350   175.52092
   27    22 S   N    _N3_    24     1.38501   113.52358    37.61627
   28    27 S   H    _HN3    25     1.01520   118.81494    -1.31403
   29    24 S   S    _SG2    35     1.83189   111.79573   -66.37131
   30    27 S   CT   _CA3    26     1.45440   123.61803   175.10019
   31    30 S   HC   HA31    27     1.09515   109.38663    21.23167
   32    30 S   HC   HA32    28     1.09502   107.08209   138.24387
   33    29 S   CT   _C15    36     1.87566   102.10198   126.88974
   34    30 S   CO3  _C3_    29     1.52912   113.03167  -102.36158
   35    34 S   O2Z  _O31    30     1.26414   115.39443   -45.23392
   36    34 S   O2Z  _O32    31     1.26354   115.00714   135.70710
   37    33 S   CM   _C17    37     1.52556   107.21626   -62.40341
   38    37 S   HC   _H25    38     1.09400   112.38262   -63.01274
   39    33 S   CT   _C16    69     1.54027   107.40696    65.54070
   40    39 S   HC   _H22    70     1.09723   111.26821    60.52850
   41    39 S   HC   _H23    71     1.09508   111.65042   179.40258
   42    39 S   HC   _H24    72     1.09459   113.12727   -59.78128
   43    33 S   CT   _C14    73     1.56702   104.57370  -179.04019
   44    43 S   HC   _H20    74     1.09849   108.58899   -61.74192
   45    43 S   HC   _H21    75     1.10046   109.17324    54.17463
   46    37 S   CMA  _C18    39     1.35609   131.82782   119.27764
   47    46 S   OM   _O37    40     1.26669   126.59950    -3.09952
   48    43 S   CT   _C11    76     1.54800   115.92264   175.47485
   49    48 S   HC   _H7_    77     1.09585   109.18231    48.27502
   50    46 S   OS   _O38    41     1.42544   108.98283   176.92744
   51    48 S   CT   _C12    78     1.54052   111.00140   169.28052
   52    51 S   HC   _H8_    79     1.09653   109.09585    53.13486
   53    50 S   CT   _C19    42     1.43156   115.29432  -163.10586
   54    53 S   HC   _H26    43     1.09727   110.91688    48.50438
   55    53 S   HC   _H27    44     1.09644   109.09518   -72.09348
   56    51 S   CT   _C13    80     1.53783   111.30008   173.13104
   57    56 S   HC   _H9_    81     1.09601   109.91216  -174.72515
   58    51 S   OH   _O36   112     1.42554   110.08601   -64.34803
   59    58 S   HO   _H19   113     0.97204   107.64607  -174.76097
   60    53 S   CT   _C20    45     1.52701   109.20486   168.90282
   61    60 S   HC   _H28    46     1.09628   108.72113   171.32565
   62    60 S   HC   _H29    47     1.09625   109.54444    53.82442
   63    56 S   CT   _C9_    82     1.54035   111.37487   -50.75556
   64    63 S   HC   _H6_    83     1.09789   109.13135   168.13010
   65    56 S   OH   _O35   110     1.43174   108.79095    69.19429
   66    65 S   HO   _H18   111     0.97236   107.58974   177.78071
   67    60 S   CT   _C21    48     1.53262   112.17360   -67.47060
   68    67 S   HC   _H30    49     1.09645   109.98377    63.23149
   69    67 S   HC   _H31    50     1.09688   109.52982   -54.23067
   70    63 S   CT   _C10    84     1.53610   108.55166    51.27232
   71    70 S   HC   _H16    85     1.09681   111.36670    64.38616
   72    70 S   HC   _H17    86     1.09417   111.16524  -177.04925
   73    63 S   CT   _C8_    88     1.54323   110.53321   -72.23516
   74    73 S   HC   _H14    89     1.09770   108.93632   -49.80158
   75    73 S   HC   _H15    90     1.09572   111.19586    67.25824
   76    67 S   CT   _C22    51     1.53001   111.00943  -175.11380
   77    76 S   HC   _H32    52     1.09568   109.69669   -60.44116
   78    76 S   HC   _H33    53     1.09702   109.43114    56.60579
   79    48 S   OS   _O34    87     1.43271   108.25658   -70.95129
   80    73 S   C3T  _C7_    91     1.49676   112.34195  -171.26626
   81    80 S   HC   _H5_    92     1.08147   113.98544   -74.71748
   82    76 S   CT   _C23    54     1.52927   111.73591   177.74545
   83    82 S   HC   _H34    55     1.09620   109.36239   -59.31132
   84    82 S   HC   _H35    56     1.09664   109.84163    58.13219
   85    80 S   C3T  _C6_    93     1.50875   121.11651    80.15836
   86    85 S   HC   _H4_    94     1.08174   118.96126    -6.07406
   87    82 S   CT   _C24    57     1.53024   111.04584   179.63203
   88    87 S   HC   _H36    58     1.09685   109.46739   -61.26059
   89    87 S   HC   _H37    59     1.09691   109.52709    55.89852
   90    80 S   O3T  _O33    95     1.43375   114.35169   146.55638
   91    85 S   CT   _C5_    96     1.50582   119.99031  -156.24983
   92    91 S   HC   _H3_    97     1.09726   108.80961   -35.43957
   93    87 S   CT   _C25    60     1.52935   111.62185   177.15311
   94    93 S   HC   _H38    61     1.09686   109.66903    58.40581
   95    93 S   HC   _H39    62     1.09685   109.41123   -58.68658
   96    91 S   CT   _C4_    98     1.53297   109.20802    81.62324
   97    96 S   HC   _H11    99     1.09539   111.66111    59.69779
   98    96 S   HC   _H12   100     1.09563   110.69123   -59.70748
   99    96 S   HC   _H13   101     1.09489   110.88849  -179.36234
  100    91 S   CT   _C28   102     1.54283   112.57773  -154.77443
  101   100 S   HC   _H10   103     1.09670   108.39843   179.72094
  102    93 S   CT   _C26    63     1.52539   111.39997   179.91153
  103   102 S   HC   _H40    64     1.09714   109.48214    57.63413
  104   102 S   HC   _H41    65     1.09715   109.38211   -59.64260
  105   100 S   CT   _C29   104     1.52418   113.40442    59.11408
  106   105 S   HC   _H42   105     1.09491   111.50023   -69.15256
  107   105 S   HC   _H43   106     1.09398   111.45028    53.06751
  108   105 S   HC   _H44   107     1.09568   110.08925   173.30177
  109   100 S   OH   _O41   108     1.42678   110.20185   -63.50335
  110   109 S   HO   _H45   109     0.97260   107.34293  -177.19530
  111   102 S   CO3  _C27    66     1.53194   115.31205   178.80139
  112   111 S   O2Z  _O40    67     1.26529   114.04365   176.50834
  113   111 S   O2Z  _O39    68     1.26123   116.69598    -3.69162
  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  12   5   4   3
  16   2   1   1  13   5   8   3   2   1  11   5   4   6   2  13
   6   7  12   7   9   5   4  15   7   4   1   9   5   4  14   9
   3   1   9   5   4   7   3   2   9   5   4   9   5   4   1   8
   4   9   5   4  12   5   9   5   4   4  13   8   8   5   4   7
   3   2   1   7   6   5   4   3   5   3   2   1   1   1   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    50    39    40    41    42    43    44    45    48    49    51    79  
   35    36  
   36  
    0  
   38    46    47    50    53    39    40    41    42    43    44    45    48  
   46    47    50    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    51    52    56    70    79    58    46  
   45    48    49    51    79  
   48    49    51    79  
   47    50    53    54    55    60  
   50    53  
   49    51    52    56    57    63    70    71    72    79    65    58    59  
   51    52    56    70    79    58  
   53    54    55    60    61    62    67  
   52    56    57    63    64    70    79    73    65    66    58    59  
   56    57    63    79    65    58    59  
   54    55    60    61    62    67    68    69    76  
   55    60    61    62    67  
   60    61    62    67  
   57    63    64    70    71    72    79    73    74    75    80    65    66    58    59  
   63    64    70    73    65    66    58  
   59    63    65    79  
    0  
   61    62    67    68    69    76    77    78    82  
   62    67    68    69    76  
   67    68    69    76  
   64    70    71    72    79    73    74    75    80    81    85    90    65    66  
   70    71    72    79    73    74    75    80    65  
   66    70    73  
    0  
   68    69    76    77    78    82    83    84    87  
   69    76    77    78    82  
   76    77    78    82  
   71    72    79    73    74    75    80  
   72    79    73  
   79    73  
   74    75    80    81    85    86    90    91    79  
   75    80    81    85    90  
   80    81    85    90  
   77    78    82    83    84    87    88    89    93  
   78    82    83    84    87  
   82    83    84    87  
    0  
   81    85    86    90    91    92    96   100  
   85    86    90    91  
   83    84    87    88    89    93    94    95   102  
   84    87    88    89    93  
   87    88    89    93  
   86    90    91    92    96    97    98    99   100   101   105   109  
   90    91    92    96   100  
   88    89    93    94    95   102   103   104   111  
   89    93    94    95   102  
   93    94    95   102  
   91    92    96   100  
   92    96    97    98    99   100   101   105   106   107   108   109   110  
   96    97    98    99   100   101   105   109  
   94    95   102   103   104   111   112   113  
   95   102   103   104   111  
  102   103   104   111  
   97    98    99   100   101   105   109  
   98    99   100  
   99   100  
  100  
  101   105   106   107   108   109   110  
  105   106   107   108   109   110  
  103   104   111   112   113  
  104   111   112   113  
  111   112   113  
  106   107   108   109   110  
  107   108   109  
  108   109  
  109  
  110  
    0  
  112   113  
  113  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   80   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  110   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  111   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
  112   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
  113   2.9600   0.2100  -0.800000   1.7000   1.5000   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    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   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    50   440.000  1.360
   50    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    82   268.000  1.529
   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    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   111   317.000  1.522
  111   112   656.000  1.250
  111   113   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    51   268.000  1.529
   48    79   320.000  1.410
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    58   320.000  1.410
   56    57   340.000  1.090
   56    63   268.000  1.529
   56    65   320.000  1.410
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    79   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    80   275.000  1.510
   80    81   340.000  1.088
   80    85   260.000  1.509
   80    90   335.000  1.432
   85    86   340.000  1.088
   85    90   335.000  1.432
   85    91   275.000  1.510
   91    92   340.000  1.090
   91    96   268.000  1.529
   91   100   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  100   101   340.000  1.090
  100   105   268.000  1.529
  100   109   320.000  1.410
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   553.000  0.945
   65    66   553.000  0.945
   58    59   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  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    58.35000  112.70000
   37    46    47    65.00000  137.10300
   37    46    50    80.00000  120.01400
   46    37    38    40.00000  120.50800
   46    50    53    90.00000  111.18400
   50    46    47    65.00000  121.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    60    50.00000  109.50000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    76    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    76    77    37.50000  110.70000
   67    76    78    37.50000  110.70000
   67    76    82    58.35000  112.70000
   69    67    68    33.00000  107.80000
   76    67    68    37.50000  110.70000
   76    67    69    37.50000  110.70000
   76    82    83    37.50000  110.70000
   76    82    84    37.50000  110.70000
   76    82    87    58.35000  112.70000
   78    76    77    33.00000  107.80000
   82    76    77    37.50000  110.70000
   82    76    78    37.50000  110.70000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    93    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    93    94    37.50000  110.70000
   87    93    95    37.50000  110.70000
   87    93   102    58.35000  112.70000
   89    87    88    33.00000  107.80000
   93    87    88    37.50000  110.70000
   93    87    89    37.50000  110.70000
   93   102   103    37.50000  110.70000
   93   102   104    37.50000  110.70000
   93   102   111    70.00000  109.69300
   95    93    94    33.00000  107.80000
  102    93    94    37.50000  110.70000
  102    93    95    37.50000  110.70000
  102   111   112    70.00000  117.00000
  102   111   113    70.00000  117.00000
  104   102   103    33.00000  107.80000
  111   102   103    35.00000  109.50000
  111   102   104    35.00000  109.50000
  113   111   112    80.00000  126.00000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    51    58.35000  112.70000
   43    48    79    50.00000  109.50000
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    51    52    37.50000  110.70000
   48    51    56    58.35000  112.70000
   48    51    58    50.00000  109.50000
   48    79    70    60.00000  109.50000
   51    48    49    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    63    58.35000  112.70000
   51    56    65    50.00000  109.50000
   51    58    59    55.00000  108.50000
   56    51    52    37.50000  110.70000
   56    63    64    37.50000  110.70000
   56    63    70    58.35000  112.70000
   56    63    73    58.35000  112.70000
   56    65    66    55.00000  108.50000
   63    56    57    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    79    50.00000  109.50000
   63    73    74    37.50000  110.70000
   63    73    75    37.50000  110.70000
   63    73    80    70.00000  112.37300
   70    63    64    37.50000  110.70000
   72    70    71    33.00000  107.80000
   79    48    49    35.00000  109.50000
   79    48    51    50.00000  109.50000
   79    70    71    35.00000  109.50000
   79    70    72    35.00000  109.50000
   73    63    64    37.50000  110.70000
   73    63    70    58.35000  112.70000
   73    80    81    40.00000  115.04500
   73    80    85    60.00000  120.94000
   73    80    90    80.00000  116.47100
   75    73    74    33.00000  107.80000
   80    73    74    45.00000  109.38400
   80    73    75    45.00000  109.38400
   80    85    86    37.50000  117.20000
   80    85    90    15.00000   60.43100
   80    85    91    60.00000  120.94000
   80    90    85    15.00000   59.14900
   85    80    81    37.50000  117.20000
   85    91    92    45.00000  109.38400
   85    91    96    70.00000  112.37300
   85    91   100    70.00000  112.37300
   90    80    81    50.00000  114.27700
   90    80    85    15.00000   60.43100
   90    85    86    50.00000  114.27700
   91    85    86    40.00000  115.04500
   91    85    90    80.00000  116.47100
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    37.50000  110.70000
   91   100   101    37.50000  110.70000
   91   100   105    58.35000  112.70000
   91   100   109    50.00000  109.50000
   96    91    92    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  100    91    92    37.50000  110.70000
  100    91    96    58.35000  112.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    37.50000  110.70000
  100   109   110    55.00000  108.50000
  105   100   101    37.50000  110.70000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   100   101    35.00000  109.50000
  109   100   105    50.00000  109.50000
   65    56    57    35.00000  109.50000
   65    56    63    50.00000  109.50000
   58    51    52    35.00000  109.50000
   58    51    56    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
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   90    85    91    96   1.20400  1.0 3.0
   90    85    91   100   0.02550  1.0 1.0
   90    85    91   100  -0.02600 -1.0 2.0
   90    85    91   100   1.20400  1.0 3.0
   91    85   -90    80   0.06250  1.0 1.0
   91    85   -90    80  -0.01100 -1.0 2.0
   91    85   -90    80   0.28050  1.0 3.0
   91   100   105   106   0.15000  1.0 3.0
   91   100   105   107   0.15000  1.0 3.0
   91   100   105   108   0.15000  1.0 3.0
   91   100   109   110  -0.11600  1.0 1.0
   91   100   109   110  -0.09450 -1.0 2.0
   91   100   109   110   0.21250  1.0 3.0
   92    91    96    97   0.15000  1.0 3.0
   92    91    96    98   0.15000  1.0 3.0
   92    91    96    99   0.15000  1.0 3.0
   92    91   100   101   0.15000  1.0 3.0
   92    91   100   105   0.15000  1.0 3.0
   92    91   100   109   0.23400  1.0 3.0
   96    91   100   101   0.15000  1.0 3.0
   96    91   100   105   0.56750  1.0 1.0
   96    91   100   105  -0.07550 -1.0 2.0
   96    91   100   105   0.20000  1.0 3.0
   96    91   100   109   0.86500  1.0 1.0
   96    91   100   109  -0.17500 -1.0 2.0
   96    91   100   109   0.20800  1.0 3.0
  100    91    96    97   0.15000  1.0 3.0
  100    91    96    98   0.15000  1.0 3.0
  100    91    96    99   0.15000  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  101   100   109   110   0.19450  1.0 3.0
  105   100   109   110  -0.11600  1.0 1.0
  105   100   109   110  -0.09450 -1.0 2.0
  105   100   109   110   0.21250  1.0 3.0
  109   100   105   106   0.23400  1.0 3.0
  109   100   105   107   0.23400  1.0 3.0
  109   100   105   108   0.23400  1.0 3.0
   65    56    63    64   0.23400  1.0 3.0
   65    56    63    70   0.86500  1.0 1.0
   65    56    63    70  -0.17500 -1.0 2.0
   65    56    63    70   0.20800  1.0 3.0
   65    56    63    73   0.86500  1.0 1.0
   65    56    63    73  -0.17500 -1.0 2.0
   65    56    63    73   0.20800  1.0 3.0
   58    51    56    57   0.23400  1.0 3.0
   58    51    56    63   0.86500  1.0 1.0
   58    51    56    63  -0.17500 -1.0 2.0
   58    51    56    63   0.20800  1.0 3.0
   58    51    56    65   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   47    50    46    37  15.00000 -1.0 2.0
  112   102   111   113  10.50000 -1.0 2.0
END
