* LIGAND DATABASE FILE (OPLS2005)
*
001     109   112    219    359     668
    1     0 S   NP   _N1_     1    29.72343    92.39972   -27.84811
    2     1 S   H    _HN1     2     1.02785   126.54233  -101.08151
    3     1 S   H    _H1_     3     1.02950    92.52655    14.07299
    4     1 S   H    _H2_     4     1.02828    19.92265  -123.75269
    5     1 S   CT   _CA1     5     1.50111   104.77447   125.94264
    6     5 S   HC   _HA1     6     1.09573   105.20371    79.20214
    7     5 S   CO3  _C1_     7     1.53787   112.45180   -41.04333
    8     7 S   O2Z  _O11     8     1.26371   115.00422   -42.82077
    9     7 S   O2Z  _O12     9     1.26240   114.94987   136.32144
   10     5 S   CT   _CB1    10     1.53081   107.42244  -162.81630
   11    10 S   HC   HB11    11     1.09832   109.37677   -49.82677
   12    10 S   HC   HB12    12     1.09813   110.44359    66.78024
   13    10 S   CT   _CG1    13     1.52989   112.60398  -170.81213
   14    13 S   HC   HG11    14     1.09584   110.61368   -65.31503
   15    13 S   HC   HG12    15     1.09669   109.80289    53.91544
   16    13 S   C    _CD1    16     1.51799   112.24672   174.36654
   17    16 S   O    _OE1    17     1.22726   123.28129     5.92758
   18    16 S   N    _N2_    18     1.38647   111.65044  -174.07629
   19    18 S   H    _HN2    19     1.01567   118.93325     1.91765
   20    18 S   CT1  _CA2    20     1.46250   123.45186   177.90997
   21    20 S   HC   _HA2    21     1.09737   109.39410     4.03221
   22    20 S   C    _C2_    22     1.53588   108.41659  -111.48413
   23    22 S   O    _O2_    23     1.23055   122.36802  -146.24618
   24    20 S   CT   _CB2    32     1.53533   111.62433   126.09340
   25    24 S   HC   HB21    33     1.09484   109.36312    56.34623
   26    24 S   HC   HB22    34     1.09324   109.55548   175.26641
   27    22 S   N    _N3_    24     1.38357   113.68487    41.05393
   28    27 S   H    _HN3    25     1.01575   119.59727    -3.00687
   29    24 S   S    _SG2    35     1.83044   111.03543   -64.01298
   30    27 S   CT   _CA3    26     1.45287   123.19748   177.25220
   31    30 S   HC   HA31    27     1.09549   107.48336   -65.23570
   32    30 S   HC   HA32    28     1.09557   108.01550    51.20460
   33    29 S   CT   _C23    36     1.90414   103.05564  -171.45142
   34    30 S   CO3  _C3_    29     1.52960   114.09200   173.21944
   35    34 S   O2Z  _O31    30     1.26377   116.07036    -0.86434
   36    34 S   O2Z  _O32    31     1.26430   114.40843   179.20426
   37    33 S   CM   _C28    37     1.52301   104.55448    68.03089
   38    37 S   HC   _H39    38     1.09031   116.04681   -80.55546
   39    33 S   CT   _C22    97     1.55169   107.74044   -50.98617
   40    39 S   HC   _H33    98     1.09698   110.11519    65.96912
   41    39 S   HC   _H34    99     1.09781   109.70243   -51.19239
   42    37 S   CMA  _C27    39     1.35035   126.82340    99.87505
   43    42 S   OM   _O34    40     1.26221   129.27285   179.45607
   44    42 S   CT   _C26    41     1.52381   119.54878    -0.39317
   45    44 S   HC   _H37    42     1.09969   109.04001   113.06363
   46    44 S   HC   _H38    43     1.10016   110.50286  -130.64128
   47    44 S   CT   _C25    44     1.53318   115.24309    -9.08634
   48    47 S   HC   _H35    45     1.09640   109.13380   164.48551
   49    47 S   HC   _H36    46     1.09774   108.20836   -82.45112
   50    33 S   CT   _C24    47     1.59346   111.10427  -172.34804
   51    50 S   CT   _C19    48     1.59309   109.93190   170.74827
   52    51 S   HC   _H6_    49     1.09828   107.60731    60.31714
   53    50 S   CT   _C29   106     1.55537   111.91398    48.65396
   54    53 S   HC   _H40   107     1.09309   112.40598    57.67885
   55    53 S   HC   _H41   108     1.09455   112.23904   -63.46052
   56    53 S   HC   _H42   109     1.09350   111.88360   178.92353
   57    51 S   CT   _C18    50     1.55336   114.30093   175.90089
   58    57 S   HC   _H31    51     1.09287   110.91641    54.79490
   59    57 S   HC   _H32    52     1.09539   109.79037   -62.28244
   60    57 S   CT   _C17    53     1.53858   114.10789   177.30267
   61    60 S   HC   _H29    54     1.09774   108.68518    68.28367
   62    60 S   HC   _H30    55     1.09287   107.93993  -176.87582
   63    60 S   CT   _C16    56     1.53842   112.09678   -53.60882
   64    63 S   CT   _C15    57     1.54962   105.93971    57.34299
   65    64 S   HC   _H5_    58     1.10280   107.62049    55.78780
   66    63 S   CT   _C30   102     1.54737   110.48533   -66.20061
   67    66 S   HC   _H44   103     1.09457   112.34912  -177.50754
   68    66 S   HC   _H45   104     1.09305   112.80574    61.74411
   69    66 S   HC   _H46   105     1.09456   111.01829   -57.68303
   70    64 S   CT   _C14    59     1.52076   103.87395   167.95741
   71    70 S   HC   _H27    60     1.09475   112.19481  -155.76615
   72    70 S   HC   _H28    61     1.09577   111.55180    83.50636
   73    51 S   CT   _C20    93     1.55680   112.02864   -55.55817
   74    73 S   HC   _H7_    94     1.09508   109.37334   -60.72003
   75    70 S   CT   _C13    62     1.53283   103.92677   -35.54784
   76    75 S   HC   _H25    63     1.09604   109.40077   131.19050
   77    75 S   HC   _H26    64     1.09598   110.35608  -110.68753
   78    73 S   CT   _C21    95     1.53652   110.64978    57.11147
   79    78 S   HC   _H8_    96     1.09638   109.24346  -174.46140
   80    63 S   CT   _C12    65     1.56224   115.83472   166.65062
   81    80 S   HC   _H4_    66     1.10092   107.62263   -40.42083
   82    78 S   OH   _O35   100     1.42522   110.26842    68.72488
   83    82 S   HO   _H43   101     0.97199   107.96677  -178.98876
   84    80 S   CT   _C5_    67     1.55897   119.80877    82.00636
   85    84 S   HC   _H3_    68     1.09745   108.71271    62.05001
   86    84 S   CT   _C4_    69     1.53193   112.18267   -57.14976
   87    86 S   HC   _H9_    70     1.09485   111.24786   -54.40081
   88    86 S   HC   _H10    71     1.09313   112.04086  -175.38043
   89    86 S   HC   _H11    72     1.09133   111.37590    66.99370
   90    84 S   CT   _C6_    73     1.55353   110.15624   179.60683
   91    90 S   HC   _H12    74     1.09547   109.53776   -51.59643
   92    90 S   HC   _H13    75     1.09755   109.52439    64.93550
   93    90 S   CT   _C7_    76     1.53583   114.17758  -172.08423
   94    93 S   HC   _H14    77     1.09510   109.05350    51.08222
   95    93 S   HC   _H15    78     1.09319   109.79601   -66.82549
   96    93 S   CT   _C8_    79     1.53317   110.93703   172.43294
   97    96 S   HC   _H16    80     1.09883   109.22447   -57.54215
   98    96 S   HC   _H17    81     1.09884   109.16072    56.57679
   99    96 S   CT   _C9_    82     1.54167   115.60469   179.57896
  100    99 S   CT   _C10    83     1.53014   112.21276    62.32405
  101   100 S   HC   _H18    84     1.09586   110.76444    54.47061
  102   100 S   HC   _H19    85     1.09627   110.81831   172.21565
  103   100 S   HC   _H20    86     1.09407   112.15596   -67.05841
  104    99 S   CT   _C11    87     1.53020   112.25517   -62.93782
  105   104 S   HC   _H21    88     1.09585   110.76396   -54.35399
  106   104 S   HC   _H22    89     1.09404   112.18083    67.19252
  107   104 S   HC   _H23    90     1.09628   110.81233  -172.09063
  108    99 S   OH   _O33    91     1.43436   106.20541   179.69739
  109   108 S   HO   _H24    92     0.97249   108.07929  -179.94065
  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
  23   2   1   1  14   5  14   6   5   8   4   8   5   4  11   4
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  11   6   5   7   3   8   4   3   3   2  11
   4   1   1  12   8   7   3   2   1   9   5   4   9   5   4  13
   5   4  10   9   4   3   2   5   3   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    78    39    40    41    53  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    57    73    78    79    39    40    41    82    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    78    39    40    41    53  
   42    43    44    50    39  
   40    41    82    83    53    42    47    50    51    64    73    74    78    79  
   41    82    50    73    78    79  
   82    50    73    78    79  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51    53  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    57    73    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    82    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    80    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    80    81    84    73    66    67    68    69  
   62    63    64    80    66  
   63    64    80    66  
   64    65    70    71    72    75    76    77    80    81    84    85    86    90    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    80    81    84    73    74    78    79    82    66    67    68    69  
   70    71    72    75    80    73    74    78    66  
   67    68    69    70    73    75    80    81    84  
   68    69    80  
   69    80  
   80  
   71    72    75    76    77    80    81    84    73    74    78  
   72    75    76    77    80    73  
   75    76    77    80    73  
   74    78    79    82    83    75    80  
   78    79    82  
   76    77    80    81    84    85    86    90  
   77    80    81    84  
   80    81    84  
   79    82    83  
   82    83  
   81    84    85    86    87    88    89    90    91    92    93  
   84    85    86    90  
   83  
    0  
   85    86    87    88    89    90    91    92    93    94    95    96  
   86    87    88    89    90    91    92    93  
   87    88    89    90    91    92    93  
   88    89    90  
   89    90  
   90  
   91    92    93    94    95    96    97    98    99  
   92    93    94    95    96  
   93    94    95    96  
   94    95    96    97    98    99   100   104   108  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   104   105   106   107   108   109  
   98    99   100   104   108  
   99   100   104   108  
  100   101   102   103   104   105   106   107   108   109  
  101   102   103   104   105   106   107   108   109  
  102   103   104   108  
  103   104   108  
  104   108  
  105   106   107   108   109  
  106   107   108  
  107   108  
  108  
  109  
    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  -0.120000   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   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   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  109   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    80   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   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   340.000  1.090
   75    80   268.000  1.529
   80    81   340.000  1.090
   80    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    90   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   268.000  1.529
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   268.000  1.529
   99   104   268.000  1.529
   99   108   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   553.000  0.945
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    39   268.000  1.529
   78    82   320.000  1.410
   39    40   340.000  1.090
   39    41   340.000  1.090
   82    83   553.000  0.945
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    80    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    80    75    58.35000  112.70000
   63    80    81    37.50000  110.70000
   63    80    84    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    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    80    81    37.50000  110.70000
   75    80    84    58.35000  112.70000
   77    75    76    33.00000  107.80000
   80    63    64    58.35000  112.70000
   80    75    76    37.50000  110.70000
   80    75    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    58.35000  112.70000
   80    84    90    58.35000  112.70000
   84    80    81    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    88    37.50000  110.70000
   84    86    89    37.50000  110.70000
   84    90    91    37.50000  110.70000
   84    90    92    37.50000  110.70000
   84    90    93    58.35000  112.70000
   86    84    85    37.50000  110.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    84    85    37.50000  110.70000
   90    84    86    58.35000  112.70000
   90    93    94    37.50000  110.70000
   90    93    95    37.50000  110.70000
   90    93    96    58.35000  112.70000
   92    90    91    33.00000  107.80000
   93    90    91    37.50000  110.70000
   93    90    92    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    37.50000  110.70000
   96    93    95    37.50000  110.70000
   96    99   100    58.35000  112.70000
   96    99   104    58.35000  112.70000
   96    99   108    50.00000  109.50000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   100   101    37.50000  110.70000
   99   100   102    37.50000  110.70000
   99   100   103    37.50000  110.70000
   99   104   105    37.50000  110.70000
   99   104   106    37.50000  110.70000
   99   104   107    37.50000  110.70000
   99   108   109    55.00000  108.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
  104    99   100    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108    99   100    50.00000  109.50000
  108    99   104    50.00000  109.50000
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    39    58.35000  112.70000
   73    78    82    50.00000  109.50000
   78    73    74    37.50000  110.70000
   78    39    40    37.50000  110.70000
   78    39    41    37.50000  110.70000
   78    82    83    55.00000  108.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   41    39    40    33.00000  107.80000
   82    78    79    35.00000  109.50000
   82    78    39    50.00000  109.50000
   66    63    64    58.35000  112.70000
   66    63    80    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
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   86    84    90    93  -0.07550 -1.0 2.0
   86    84    90    93   0.20000  1.0 3.0
   90    84    86    87   0.15000  1.0 3.0
   90    84    86    88   0.15000  1.0 3.0
   90    84    86    89   0.15000  1.0 3.0
   90    93    96    97   0.15000  1.0 3.0
   90    93    96    98   0.15000  1.0 3.0
   90    93    96    99   0.56750  1.0 1.0
   90    93    96    99  -0.07550 -1.0 2.0
   90    93    96    99   0.20000  1.0 3.0
   91    90    93    94   0.15000  1.0 3.0
   91    90    93    95   0.15000  1.0 3.0
   91    90    93    96   0.15000  1.0 3.0
   92    90    93    94   0.15000  1.0 3.0
   92    90    93    95   0.15000  1.0 3.0
   92    90    93    96   0.15000  1.0 3.0
   93    96    99   100   0.56750  1.0 1.0
   93    96    99   100  -0.07550 -1.0 2.0
   93    96    99   100   0.20000  1.0 3.0
   93    96    99   104   0.56750  1.0 1.0
   93    96    99   104  -0.07550 -1.0 2.0
   93    96    99   104   0.20000  1.0 3.0
   93    96    99   108   0.86500  1.0 1.0
   93    96    99   108  -0.17500 -1.0 2.0
   93    96    99   108   0.20800  1.0 3.0
   94    93    96    97   0.15000  1.0 3.0
   94    93    96    98   0.15000  1.0 3.0
   94    93    96    99   0.15000  1.0 3.0
   95    93    96    97   0.15000  1.0 3.0
   95    93    96    98   0.15000  1.0 3.0
   95    93    96    99   0.15000  1.0 3.0
   96    99   100   101   0.15000  1.0 3.0
   96    99   100   102   0.15000  1.0 3.0
   96    99   100   103   0.15000  1.0 3.0
   96    99   104   105   0.15000  1.0 3.0
   96    99   104   106   0.15000  1.0 3.0
   96    99   104   107   0.15000  1.0 3.0
   96    99   108   109  -0.11600  1.0 1.0
   96    99   108   109  -0.09450 -1.0 2.0
   96    99   108   109   0.21250  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   104   0.15000  1.0 3.0
   97    96    99   108   0.23400  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   104   0.15000  1.0 3.0
   98    96    99   108   0.23400  1.0 3.0
  100    99   104   105   0.15000  1.0 3.0
  100    99   104   106   0.15000  1.0 3.0
  100    99   104   107   0.15000  1.0 3.0
  100    99   108   109  -0.11600  1.0 1.0
  100    99   108   109  -0.09450 -1.0 2.0
  100    99   108   109   0.21250  1.0 3.0
  104    99   100   101   0.15000  1.0 3.0
  104    99   100   102   0.15000  1.0 3.0
  104    99   100   103   0.15000  1.0 3.0
  104    99   108   109  -0.11600  1.0 1.0
  104    99   108   109  -0.09450 -1.0 2.0
  104    99   108   109   0.21250  1.0 3.0
  108    99   100   101   0.23400  1.0 3.0
  108    99   100   102   0.23400  1.0 3.0
  108    99   100   103   0.23400  1.0 3.0
  108    99   104   105   0.23400  1.0 3.0
  108    99   104   106   0.23400  1.0 3.0
  108    99   104   107   0.23400  1.0 3.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.15000  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   73    78    82    83  -0.11600  1.0 1.0
   73    78    82    83  -0.09450 -1.0 2.0
   73    78    82    83   0.21250  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   74    73    78    82   0.23400  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.15000  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   79    78    82    83   0.19450  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   39    78    82    83  -0.11600  1.0 1.0
   39    78    82    83  -0.09450 -1.0 2.0
   39    78    82    83   0.21250  1.0 3.0
   82    78    39    33   0.86500  1.0 1.0
   82    78    39    33  -0.17500 -1.0 2.0
   82    78    39    33   0.20800  1.0 3.0
   82    78    39    40   0.23400  1.0 3.0
   82    78    39    41   0.23400  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    80    75   0.56750  1.0 1.0
   66    63    80    75  -0.07550 -1.0 2.0
   66    63    80    75   0.20000  1.0 3.0
   66    63    80    81   0.15000  1.0 3.0
   66    63    80    84   0.56750  1.0 1.0
   66    63    80    84  -0.07550 -1.0 2.0
   66    63    80    84   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  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    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
END
