* LIGAND DATABASE FILE (OPLS2005)
*
001     114   115    214    323     629
    1     0 S   NP   _N1_     1    29.69297    97.63871   -25.17259
    2     1 S   H    _HN1     2     1.02777   115.57724   -95.62686
    3     1 S   H    _H1_     3     1.02952    63.88928     3.26081
    4     1 S   H    _H2_     4     1.02833    43.55607   174.89546
    5     1 S   CT   _CA1     5     1.50120   130.93583    98.34320
    6     5 S   HC   _HA1     6     1.09575   105.19840   104.94089
    7     5 S   CO3  _C1_     7     1.53794   112.43934   -15.25978
    8     7 S   O2Z  _O11     8     1.26377   114.98657   -42.26000
    9     7 S   O2Z  _O12     9     1.26235   114.95086   136.85381
   10     5 S   CT   _CB1    10     1.53098   107.43456  -137.08435
   11    10 S   HC   HB11    11     1.09826   109.36314   -49.84148
   12    10 S   HC   HB12    12     1.09810   110.47094    66.78773
   13    10 S   CT   _CG1    13     1.52960   112.55465  -170.84107
   14    13 S   HC   HG11    14     1.09587   110.58422   -65.05445
   15    13 S   HC   HG12    15     1.09659   109.77331    54.13438
   16    13 S   C    _CD1    16     1.51790   112.40842   174.39272
   17    16 S   O    _OE1    17     1.22727   123.43690     2.28413
   18    16 S   N    _N2_    18     1.38572   111.58552  -177.37073
   19    18 S   H    _HN2    19     1.01592   119.03435    -0.00000
   20    18 S   CT1  _CA2    20     1.46076   122.89498   178.04535
   21    20 S   HC   _HA2    21     1.09774   108.39826    30.90907
   22    20 S   C    _C2_    22     1.53237   110.44905   -85.00021
   23    22 S   O    _O2_    23     1.23108   120.96865   160.44101
   24    20 S   CT   _CB2    32     1.53492   111.28763   153.33839
   25    24 S   HC   HB21    33     1.09364   110.29523    50.01167
   26    24 S   HC   HB22    34     1.09344   110.15349   168.77505
   27    22 S   N    _N3_    24     1.37959   114.85887   -25.76689
   28    27 S   H    _HN3    25     1.01553   119.43593     7.80816
   29    24 S   S    _SG2    35     1.83352   109.94727   -70.44668
   30    27 S   CT   _CA3    26     1.45254   123.17163  -176.03686
   31    30 S   HC   HA31    27     1.09529   107.67286   -64.59612
   32    30 S   HC   HA32    28     1.09532   107.93124    51.80861
   33    29 S   CT   _C26    36     1.86109   101.32327  -178.01347
   34    30 S   CO3  _C3_    29     1.52859   113.78276   174.29975
   35    34 S   O2Z  _O31    30     1.26386   115.85161    18.32469
   36    34 S   O2Z  _O32    31     1.26390   114.57955  -161.81647
   37    33 S   CO4  _C25    37     1.52639   106.22238   -62.16529
   38    37 S   O    _O33    38     1.23136   122.49621   -48.30137
   39    33 S   CM   _C17    51     1.52874   111.50349    64.37519
   40    33 S   CT   _C27   111     1.54393   107.65284  -174.46137
   41    40 S   HC   _H30   112     1.09485   113.24806   -58.19507
   42    40 S   HC   _H31   113     1.09755   110.57497  -178.59584
   43    40 S   HC   _H32   114     1.09749   111.99382    62.88719
   44    37 S   CA   _C24    39     1.46937   118.55230   133.74057
   45    39 S   CT   _C16    52     1.55059   115.85035    56.24156
   46    45 S   HC   _H24    53     1.09485   109.03043   127.63409
   47    45 S   HC   _H25    54     1.09487   110.88397    14.02072
   48    44 S   CA   _C23    40     1.40885   117.90046   173.40462
   49    48 S   HA   _H29    41     1.08751   121.07684    -0.57471
   50    45 S   CM   _C15    55     1.50806   113.40333  -106.25827
   51    50 S   HC   _H23    56     1.08741   114.28810    61.93676
   52    48 S   CA   _C22    42     1.39002   120.64740   179.04489
   53    52 S   HA   _H28    43     1.08552   120.31351  -179.65170
   54    50 S   CM   _C14    57     1.34799   129.00901  -117.74492
   55    52 S   CA   _C21    44     1.38521   119.28970     0.09279
   56    55 S   HA   _H27    45     1.08604   120.24279  -179.77794
   57    54 S   CT   _C28    58     1.50267   125.23257    -2.12734
   58    57 S   HC   _H33    59     1.09443   110.46240   112.57916
   59    57 S   HC   _H34    60     1.09531   110.01296  -127.93301
   60    57 S   HC   _H35    61     1.09168   113.50889    -8.42408
   61    54 S   CT   _C13    62     1.51732   119.39628   177.57893
   62    61 S   HC   _H21    63     1.09812   110.46087    12.48562
   63    61 S   HC   _H22    64     1.09739   108.85319   127.77284
   64    55 S   CA   _C20    46     1.39861   119.85299     0.24066
   65    64 S   HA   _H26    47     1.08889   116.63158   179.88465
   66    61 S   CT   _C12    65     1.53632   114.50668  -109.90511
   67    66 S   HC   _H19    66     1.09554   107.63768   177.39797
   68    66 S   HC   _H20    67     1.09681   109.78315   -67.09366
   69    44 S   CA   _C19    48     1.39742   120.52269    -6.98396
   70    66 S   CT   _C11    68     1.53505   113.26670    55.39565
   71    70 S   HC   _H17    69     1.09544   108.52178   -65.31799
   72    70 S   HC   _H18    70     1.09485   109.50521    50.99015
   73    69 S   CMA  _C18    49     1.51608   123.73088     1.15199
   74    73 S   OM   _O34    50     1.26977   118.32027  -179.49178
   75    70 S   CT   _C9_    71     1.54016   113.22212   174.23554
   76    75 S   HC   _H4_    72     1.09848   108.01353    44.94040
   77    75 S   CT   _C10    73     1.53085   111.88100   -73.09936
   78    77 S   HC   _H14    74     1.09469   111.72833   -54.58728
   79    77 S   HC   _H15    75     1.09423   111.13869    65.70774
   80    77 S   HC   _H16    76     1.09522   110.78036  -175.20315
   81    75 S   CT   _C8_    77     1.54393   111.49444   161.30532
   82    81 S   HC   _H12    78     1.09799   108.35849  -173.68807
   83    81 S   HC   _H13    79     1.09801   108.55879   -58.99316
   84    81 S   CT   _C7_    80     1.53481   115.74423    63.80812
   85    84 S   HC   _H10    81     1.09461   109.78803   -57.45661
   86    84 S   HC   _H11    82     1.09502   109.96600    60.95980
   87    84 S   CT   _C6_    83     1.53372   110.30791  -178.45300
   88    87 S   HC   _H8_    84     1.09797   108.43373   -50.28679
   89    87 S   HC   _H9_    85     1.09763   109.11150    65.26549
   90    87 S   CT   _C5_    86     1.54420   114.54005  -171.45997
   91    90 S   HC   _H3_    87     1.09798   108.18350    58.08626
   92    90 S   CT   _C4_    88     1.53374   108.56422   174.59195
   93    92 S   HC   _H5_    89     1.09523   111.18932    68.70012
   94    92 S   HC   _H6_    90     1.09550   110.91750   -51.48276
   95    92 S   HC   _H7_    91     1.09428   111.40501  -170.30399
   96    90 S   CT   _C29    92     1.54203   111.91689   -61.04645
   97    96 S   HC   _H36    93     1.09478   109.46690   -52.28198
   98    96 S   HC   _H37    94     1.09518   108.91565    63.83410
   99    96 S   CT   _C30    95     1.53399   114.06894  -174.68367
  100    99 S   HC   _H38    96     1.09595   109.69639   -51.18419
  101    99 S   HC   _H39    97     1.09425   109.21681    66.57019
  102    99 S   CT   _C31    98     1.53142   111.39390  -172.65068
  103   102 S   HC   _H40    99     1.09456   108.53283    56.91191
  104   102 S   HC   _H41   100     1.09577   109.57348   -59.04605
  105   102 S   CT   _C32   101     1.53855   113.70923   177.85342
  106   105 S   HC   _H42   102     1.09719   108.87325   -54.03231
  107   105 S   CT   _C33   103     1.52921   112.29906    65.94336
  108   107 S   HC   _H43   104     1.09534   111.25383    55.93752
  109   107 S   HC   _H44   105     1.09399   111.40243   -64.85588
  110   107 S   HC   _H45   106     1.09543   110.74644   175.99239
  111   105 S   CT   _C34   107     1.53089   109.67095  -171.81302
  112   111 S   HC   _H46   108     1.09542   111.30906   -60.93641
  113   111 S   HC   _H47   109     1.09512   110.88424   178.68791
  114   111 S   HC   _H48   110     1.09469   110.75571    59.29155
  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  11   5   4   3
  16   2   1   1  14   5  15   6   2   1   1  10  10   5   4   8
   4  11   3   6   3  11   5   3   7   3   2   1   9   5   4   4
   2   9   5   4   2  12   5   4   1   1  12   8   7   3   2   1
   9   5   4   9   5   4  12   5   4  12   8   7   3   2   1   9
   5   4   9   5   4  12   5   4   9   8   7   3   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    73    39    45    40    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    69    73    74    39    45    46    47    50    40    41    42    43  
   35    36  
   36  
    0  
   38    44    48    49    52    64    69    73    39    45    40    41    42    43  
   44    48    69    39    40  
   45    46    47    50    51    54    40    41    42    43    44    64    69    73    74  
   41    42    43    44    45    73  
   42    43  
   43  
    0  
   48    49    52    53    55    64    65    69    73    74  
   46    47    50    51    54    57    61    69    73    74  
   47    50    51    54    73  
   50    51    54    73  
   49    52    53    55    56    64    69    73  
   52    53    55    69  
   51    54    57    58    59    60    61    62    63    66    73  
   54    57    61  
   53    55    56    64    65    69  
   55    56    64  
   57    58    59    60    61    62    63    66    67    68    70  
   56    64    65    69    73  
   64    65    69  
   58    59    60    61    62    63    66  
   59    60    61  
   60    61  
   61  
   62    63    66    67    68    70    71    72    75  
   63    66    67    68    70  
   66    67    68    70  
   65    69    73    74  
   69    73  
   67    68    70    71    72    75    76    77    81  
   68    70    71    72    75  
   70    71    72    75  
   73    74  
   71    72    75    76    77    78    79    80    81    82    83    84  
   72    75    76    77    81  
   75    76    77    81  
   74  
    0  
   76    77    78    79    80    81    82    83    84    85    86    87  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87  
   84    85    86    87  
   85    86    87    88    89    90    91    92    96  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90    91    92    93    94    95    96    97    98    99  
   89    90    91    92    96  
   90    91    92    96  
   91    92    93    94    95    96    97    98    99   100   101   102  
   92    93    94    95    96    97    98    99  
   93    94    95    96    97    98    99  
   94    95    96  
   95    96  
   96  
   97    98    99   100   101   102   103   104   105  
   98    99   100   101   102  
   99   100   101   102  
  100   101   102   103   104   105   106   107   111  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107   108   109   110   111   112   113   114  
  104   105   106   107   111  
  105   106   107   111  
  106   107   108   109   110   111   112   113   114  
  107   108   109   110   111   112   113   114  
  108   109   110   111   112   113   114  
  109   110   111  
  110   111  
  111  
  112   113   114  
  113   114  
  114  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   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   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    39   317.000  1.510
   33    40   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    48   469.000  1.400
   44    69   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    55   469.000  1.400
   55    56   367.000  1.080
   55    64   469.000  1.400
   64    65   367.000  1.080
   64    69   469.000  1.400
   69    73   320.000  1.460
   73    74   745.000  1.250
   73    39   465.000  1.376
   39    45   317.000  1.510
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   317.000  1.510
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    57   317.000  1.510
   54    61   317.000  1.510
   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    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   268.000  1.529
   90    96   268.000  1.529
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   340.000  1.090
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   268.000  1.529
  105   111   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   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    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  110.18000
   29    33    39    75.00000  112.20000
   29    33    40    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    73    70.00000  124.00000
   33    39    45    65.00000  117.92700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    43    37.50000  110.70000
   37    44    48    60.00000  119.52600
   37    44    69    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    48    49    35.00000  120.00000
   44    48    52    63.00000  120.00000
   44    69    64    63.00000  120.00000
   44    69    73    60.00000  120.93500
   48    52    53    35.00000  120.00000
   48    52    55    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    55    56    35.00000  120.00000
   52    55    64    63.00000  120.00000
   55    52    53    35.00000  120.00000
   55    64    65    35.00000  120.00000
   55    64    69    63.00000  120.00000
   64    55    56    35.00000  120.00000
   64    69    73    60.00000  120.93500
   69    44    48    63.00000  120.00000
   69    64    65    35.00000  120.00000
   69    73    74    85.00000  114.86500
   69    73    39    60.00000  123.20500
   73    39    45    70.00000  124.00000
   39    33    37    70.00000  109.06800
   39    73    74    65.00000  137.10300
   39    45    46    35.00000  109.50000
   39    45    47    35.00000  109.50000
   39    45    50    70.00000  110.12100
   45    50    51    35.00000  117.00000
   45    50    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   50    45    46    35.00000  109.50000
   50    45    47    35.00000  109.50000
   50    54    57    70.00000  124.00000
   50    54    61    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    66    70.00000  112.02700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   61    54    57    65.00000  117.92700
   61    66    67    37.50000  110.70000
   61    66    68    37.50000  110.70000
   61    66    70    58.35000  112.70000
   63    61    62    33.00000  107.80000
   66    61    62    37.50000  110.70000
   66    61    63    37.50000  110.70000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   70    66    67    37.50000  110.70000
   70    66    68    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    58.35000  112.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    80    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    37.50000  110.70000
   75    81    84    58.35000  112.70000
   77    75    76    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    58.35000  112.70000
   81    84    85    37.50000  110.70000
   81    84    86    37.50000  110.70000
   81    84    87    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    37.50000  110.70000
   84    81    83    37.50000  110.70000
   84    87    88    37.50000  110.70000
   84    87    89    37.50000  110.70000
   84    87    90    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    37.50000  110.70000
   87    84    86    37.50000  110.70000
   87    90    91    37.50000  110.70000
   87    90    92    58.35000  112.70000
   87    90    96    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   90    92    93    37.50000  110.70000
   90    92    94    37.50000  110.70000
   90    92    95    37.50000  110.70000
   90    96    97    37.50000  110.70000
   90    96    98    37.50000  110.70000
   90    96    99    58.35000  112.70000
   92    90    91    37.50000  110.70000
   94    92    93    33.00000  107.80000
   95    92    93    33.00000  107.80000
   95    92    94    33.00000  107.80000
   96    90    91    37.50000  110.70000
   96    90    92    58.35000  112.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    58.35000  112.70000
  102   105   111    58.35000  112.70000
  104   102   103    33.00000  107.80000
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  105   107   108    37.50000  110.70000
  105   107   109    37.50000  110.70000
  105   107   110    37.50000  110.70000
  105   111   112    37.50000  110.70000
  105   111   113    37.50000  110.70000
  105   111   114    37.50000  110.70000
  107   105   106    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  111   105   106    37.50000  110.70000
  111   105   107    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   40    33    37    63.00000  111.10000
   40    33    39    70.00000  112.02700
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    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
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   40    33    39    45   0.46850  1.0 1.0
   40    33    39    45   0.08550 -1.0 2.0
   40    33    39    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   48    69    44    37   4.00000 -1.0 2.0
   52    49    48    44   1.10000 -1.0 2.0
   55    53    52    48   1.10000 -1.0 2.0
   64    56    55    52   1.10000 -1.0 2.0
   69    65    64    55   1.10000 -1.0 2.0
   64    73    69    44   4.00000 -1.0 2.0
   69    74    73    39   1.10000 -1.0 2.0
   33    45    39    73   1.10000 -1.0 2.0
   45    51    50    54  15.00000 -1.0 2.0
   57    61    54    50  15.00000 -1.0 2.0
END
