* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    208    340     631
    1     0 S   NP   _N1_     1    29.04532    97.20351   -25.20778
    2     1 S   H    _HN1     2     1.02948    66.71139     1.17536
    3     1 S   H    _H1_     3     1.02826    40.40215  -178.40014
    4     1 S   H    _H2_     4     1.02803   120.83892   -97.01938
    5     1 S   CT   _CA1     5     1.50144   124.99827   100.53112
    6     5 S   HC   _HA1     6     1.09572   105.15055   102.53303
    7     5 S   CO3  _C1_     7     1.53761   112.40959   -17.71287
    8     7 S   O2Z  _O11     8     1.26387   115.00131   -43.36770
    9     7 S   O2Z  _O12     9     1.26222   114.94281   135.52037
   10     5 S   CT   _CB1    10     1.53033   107.38489  -139.47117
   11    10 S   HC   HB11    11     1.09852   109.36656   -48.63294
   12    10 S   HC   HB12    12     1.09810   110.46707    67.94516
   13    10 S   CT   _CG1    13     1.53062   112.67962  -169.50352
   14    13 S   HC   HG11    14     1.09556   110.85798   -67.91025
   15    13 S   HC   HG12    15     1.09656   109.63652    51.37331
   16    13 S   C    _CD1    16     1.51813   111.59478   172.00500
   17    16 S   O    _OE1    17     1.22793   122.99616    18.74696
   18    16 S   N    _N2_    18     1.38614   112.11144  -161.37613
   19    18 S   H    _HN2    19     1.01590   119.09890     0.50822
   20    18 S   CT1  _CA2    20     1.46254   123.27711   176.23298
   21    20 S   HC   _HA2    21     1.09743   109.22301     9.87400
   22    20 S   C    _C2_    22     1.53740   109.06096  -105.70173
   23    22 S   O    _O2_    23     1.23098   122.16674  -149.63363
   24    20 S   CT   _CB2    32     1.53468   111.66766   131.81475
   25    24 S   HC   HB21    33     1.09419   109.52186    58.39623
   26    24 S   HC   HB22    34     1.09407   109.55072   177.12519
   27    22 S   N    _N3_    24     1.38288   113.97958    37.86868
   28    27 S   H    _HN3    25     1.01520   119.63284    -3.19929
   29    24 S   S    _SG2    35     1.82951   111.09108   -63.42345
   30    27 S   CT   _CA3    26     1.45278   123.34982   177.26670
   31    30 S   HC   HA31    27     1.09546   107.50509   -65.16479
   32    30 S   HC   HA32    28     1.09554   108.01673    51.31103
   33    29 S   CT   _C20    36     1.91961   102.05465   169.81939
   34    30 S   CO3  _C3_    29     1.52995   114.00525   173.31701
   35    34 S   O2Z  _O31    30     1.26394   116.08238    -0.40782
   36    34 S   O2Z  _O32    31     1.26423   114.42004   179.65565
   37    33 S   CM   _C6_    37     1.52366   104.19864   -64.35237
   38    37 S   HC   _H37    38     1.08775   118.14975    94.93326
   39    33 S   CT   _C12    53     1.54068   109.20977    57.55758
   40    39 S   HC   _H42    54     1.09613   111.56083   -60.45927
   41    39 S   HC   _H43    55     1.09724   110.16414  -175.71463
   42    37 S   CMA  _C7_    39     1.35290   122.18877   -84.19796
   43    42 S   OM   _O28    40     1.25869   131.19130   178.62214
   44    42 S   CM   _C4_    41     1.46877   117.22763    -0.01978
   45    44 S   HC   _H35    42     1.08831   119.28538   160.70756
   46    44 S   CM   _C5_    43     1.34784   122.02375   -19.94518
   47    46 S   HC   _H36    44     1.08390   118.85784  -177.74146
   48    33 S   CT   _C19    45     1.59811   111.50517   177.59914
   49    48 S   CT   _C17    46     1.58045   108.76401   -59.05990
   50    49 S   HC   _H50    47     1.09820   107.01389    58.89080
   51    48 S   CT   _C23   103     1.56376   111.19665   179.06581
   52    51 S   HC   _H52   104     1.09222   113.13305    76.20371
   53    51 S   HC   _H53   105     1.09565   112.47005   -43.97444
   54    51 S   HC   _H54   106     1.09571   111.74106  -162.53483
   55    49 S   CT   _C15    48     1.56894   111.27198   -56.99058
   56    55 S   HC   _H48    49     1.09381   109.33649   -68.56551
   57    49 S   CT   _C18    69     1.55826   116.78246   173.71846
   58    57 S   HC   _H51    70     1.09526   109.02980   -60.40769
   59    55 S   CT   _C10    50     1.54119   113.29141    49.84074
   60    59 S   HC   _H38    51     1.09732   109.22631  -167.88239
   61    59 S   HC   _H39    52     1.09638   109.83022    76.79510
   62    55 S   CT   _C16    56     1.53760   108.04264   173.25276
   63    62 S   HC   _H49    57     1.10272   105.91958   -57.66500
   64    57 S   OH   _O33    71     1.41961   111.76016    57.12319
   65    64 S   HO   _H71    72     0.97223   107.77708  -175.39070
   66    62 S   CT   _C11    58     1.52217   118.68984  -176.24678
   67    66 S   HC   _H40    59     1.09484   112.15560    75.91293
   68    66 S   HC   _H41    60     1.09582   111.48886   -44.76589
   69    66 S   CT   _C13    61     1.53988   104.06812  -163.89337
   70    69 S   HC   _H44    62     1.09516   108.47950   133.01147
   71    69 S   HC   _H45    63     1.09618   109.75924  -110.04830
   72    69 S   CT   _C21    64     1.55783   106.80813    10.83903
   73    62 S   CT   _C22    65     1.55068   113.85909    61.37414
   74    72 S   CO4  _C8_    77     1.53868   112.84523   144.46462
   75    74 S   O    _O29    78     1.23285   121.55399    -4.97327
   76    72 S   OH   _O34   101     1.42815   107.91043   -98.56087
   77    76 S   HO   _H72   102     0.97298   108.24528   -55.77298
   78    73 S   CT   _C14    66     1.54681   106.95743   -60.32426
   79    78 S   HC   _H46    67     1.09693   109.89696   -66.44574
   80    78 S   HC   _H47    68     1.09465   109.92249   176.42423
   81    73 S   CT   _C24    73     1.55290   113.27314    61.97354
   82    81 S   HC   _H55    74     1.09502   112.49249    68.60445
   83    81 S   HC   _H56    75     1.09120   113.34182   -51.78637
   84    81 S   HC   _H57    76     1.09555   110.71216  -171.99634
   85    74 S   CT   _C28    79     1.52031   117.58853   175.04022
   86    85 S   HC   _H67    80     1.09250   108.77451    74.89487
   87    85 S   HC   _H68    81     1.09349   109.78911   -47.29378
   88    85 S   OS   _O35    82     1.43015   108.47919  -166.37151
   89    88 S   CO4  _C9_    83     1.36262   115.34924  -175.32722
   90    89 S   O    _O30    84     1.22406   125.90203    -0.93837
   91    89 S   CT   _C29    85     1.51158   110.10272   178.39575
   92    91 S   HC   _H69    86     1.09813   108.33304    31.33163
   93    91 S   HC   _H70    87     1.09799   106.92682   144.34726
   94    91 S   CT   _C30    88     1.54434   114.49821   -92.75604
   95    94 S   CT   _C25    89     1.54080   108.12756  -179.88131
   96    95 S   HC   _H58    90     1.09591   111.16896    59.88863
   97    95 S   HC   _H59    91     1.09591   111.16818   -60.15709
   98    95 S   HC   _H60    92     1.09594   111.29230   179.86878
   99    94 S   CT   _C26    93     1.53780   111.22833    61.07683
  100    99 S   HC   _H61    94     1.09522   111.69074   -65.79888
  101    99 S   HC   _H62    95     1.09572   111.14574    54.81031
  102    99 S   HC   _H63    96     1.09610   111.06223   174.62433
  103    94 S   CT   _C27    97     1.53781   111.08553   -60.93802
  104   103 S   HC   _H64    98     1.09508   111.69664    65.61298
  105   103 S   HC   _H65    99     1.09571   111.14582   -54.97142
  106   103 S   HC   _H66   100     1.09611   111.06012  -174.78121
  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
  22   2   1   1  13   5  13   6   5   6   3   6   3  10   3  14
  21   9   5   2   1   1  17   8  11   6   6   2   1  18   8   5
   1  11   6   5  11   5   4  16  12  10   5   4   1   6   2   1
   3   2   1   1   6   3   2   6   8   4  15   5   4  12  11   4
   3   2   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    46    48    49    59    39    40    41    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    46    47    48    49    50    55    59    60    61    39    40    41    57    51    52    53    54  
   35    36  
   36  
    0  
   38    42    43    44    45    46    48    49    59    39    40    41    51  
   42    43    44    48    39  
   40    41    62    51    42    46    48    49    55    56    59    60    61  
   41    48    55    59    60    61  
   48    55    59    60    61  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    48    49    51  
   46    47    48  
   47    48    49    50    55    57    51    52    53    54  
   48    49    51  
   49    50    55    56    59    62    78    57    58    64    51    52    53    54  
   50    55    56    59    60    61    62    63    66    73    78    79    80    57    58    64    65    51    52    53    54  
   55    56    59    62    78    57    58    64    51  
   52    53    54    55    57  
   53    54  
   54  
    0  
   56    59    60    61    62    63    66    67    68    69    72    73    78    57    58    64    81  
   59    60    61    62    63    66    73    57  
   58    64    65    81    59    62    72    73    78    79    80  
   64    65    73    78    79    80  
   60    61    62    63    66    73  
   61    62  
   62  
   63    66    67    68    69    70    71    72    73    78    79    80    81    82    83    84    74    76  
   66    67    68    69    72    73    78    81  
   65    73    78    79    80  
   78  
   67    68    69    70    71    72    73    78    81    74    76  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72    73    78    81    74    75    85    76    77  
   71    72    73    74    76  
   72    73    74    76  
   73    78    79    80    81    82    83    84    74    75    85    86    87    88    76    77  
   78    79    80    81    82    83    84    74    75    85    76    77  
   75    85    86    87    88    89    76    77    78    81  
   85    86    87    88    76  
   77    78    81    85  
    0  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89    90    91  
   87    88    89  
   88    89  
   89    90    91    92    93    94  
   90    91    92    93    94    95    99   103  
   91    92    93    94  
   92    93    94    95    96    97    98    99   100   101   102   103   104   105   106  
   93    94    95    99   103  
   94    95    99   103  
   95    96    97    98    99   100   101   102   103   104   105   106  
   96    97    98    99   100   101   102   103   104   105   106  
   97    98    99   103  
   98    99   103  
   99   103  
  100   101   102   103   104   105   106  
  101   102   103  
  102   103  
  103  
  104   105   106  
  105   106  
  106  
    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   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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
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    48   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   465.000  1.376
   44    45   340.000  1.080
   44    46   549.000  1.340
   46    47   340.000  1.080
   46    48   317.000  1.510
   48    49   268.000  1.529
   48    51   268.000  1.529
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    57   268.000  1.529
   55    56   340.000  1.090
   55    59   268.000  1.529
   55    62   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    73   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   268.000  1.529
   72    74   317.000  1.522
   72    76   320.000  1.410
   73    78   268.000  1.529
   73    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    57   268.000  1.529
   57    58   340.000  1.090
   57    64   320.000  1.410
   64    65   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   570.000  1.229
   74    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   214.000  1.327
   89    90   570.000  1.229
   89    91   317.000  1.522
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   268.000  1.529
   94    95   268.000  1.529
   94    99   268.000  1.529
   94   103   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   76    77   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   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    48    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    48    46    70.00000  112.02700
   33    48    49    58.35000  112.70000
   33    48    51    58.35000  112.70000
   33    39    59    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    70.00000  123.01800
   42    37    38    40.00000  120.50800
   42    44    45    40.00000  120.50800
   42    44    46    70.00000  117.34000
   44    42    43    65.00000  137.10300
   44    46    47    35.00000  120.00000
   44    46    48    70.00000  124.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.02700
   46    48    51    70.00000  112.02700
   48    33    37    70.00000  112.02700
   48    46    47    35.00000  117.00000
   48    49    50    37.50000  110.70000
   48    49    55    58.35000  112.70000
   48    49    57    58.35000  112.70000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   49    55    56    37.50000  110.70000
   49    55    59    58.35000  112.70000
   49    55    62    58.35000  112.70000
   49    57    78    58.35000  112.70000
   49    57    58    37.50000  110.70000
   49    57    64    50.00000  109.50000
   55    49    50    37.50000  110.70000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    39    58.35000  112.70000
   55    62    63    37.50000  110.70000
   55    62    66    58.35000  112.70000
   55    62    73    58.35000  112.70000
   59    55    56    37.50000  110.70000
   59    39    40    37.50000  110.70000
   59    39    41    37.50000  110.70000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    48    58.35000  112.70000
   39    59    60    37.50000  110.70000
   39    59    61    37.50000  110.70000
   41    39    40    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    59    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    58.35000  112.70000
   62    73    72    58.35000  112.70000
   62    73    78    58.35000  112.70000
   62    73    81    58.35000  112.70000
   66    62    63    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    58.35000  112.70000
   69    72    74    63.00000  111.10000
   69    72    76    50.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    73    78    58.35000  112.70000
   72    73    81    58.35000  112.70000
   72    74    75    80.00000  120.40000
   72    74    85    70.00000  116.00000
   72    76    77    55.00000  108.50000
   73    62    63    37.50000  110.70000
   73    62    66    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    57    58.35000  112.70000
   73    81    82    37.50000  110.70000
   73    81    83    37.50000  110.70000
   73    81    84    37.50000  110.70000
   78    57    58    37.50000  110.70000
   78    57    64    50.00000  109.50000
   80    78    79    33.00000  107.80000
   57    49    50    37.50000  110.70000
   57    49    55    58.35000  112.70000
   57    78    79    37.50000  110.70000
   57    78    80    37.50000  110.70000
   57    64    65    55.00000  108.50000
   64    57    58    35.00000  109.50000
   81    73    78    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    72    73    63.00000  111.10000
   74    85    86    35.00000  109.50000
   74    85    87    35.00000  109.50000
   74    85    88    90.00000  108.74100
   85    74    75    80.00000  120.40000
   85    88    89    83.00000  116.90000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   88    89    90    83.00000  123.40000
   88    89    91    81.00000  111.40000
   89    91    92    35.00000  109.50000
   89    91    93    35.00000  109.50000
   89    91    94    63.00000  111.10000
   91    89    90    80.00000  120.40000
   91    94    95    58.35000  112.70000
   91    94    99    58.35000  112.70000
   91    94   103    58.35000  112.70000
   93    91    92    33.00000  107.80000
   94    91    92    37.50000  110.70000
   94    91    93    37.50000  110.70000
   94    95    96    37.50000  110.70000
   94    95    97    37.50000  110.70000
   94    95    98    37.50000  110.70000
   94    99   100    37.50000  110.70000
   94    99   101    37.50000  110.70000
   94    99   102    37.50000  110.70000
   94   103   104    37.50000  110.70000
   94   103   105    37.50000  110.70000
   94   103   106    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    94    95    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  103    94    95    58.35000  112.70000
  103    94    99    58.35000  112.70000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   76    72    73    50.00000  109.50000
   76    72    74    90.00000  109.61100
   51    48    49    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    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
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
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   74    85    88    89  -1.80650  1.0 1.0
   74    85    88    89   0.63900 -1.0 2.0
   74    85    88    89   0.03650  1.0 3.0
   75    74    85    86   0.00000  1.0 1.0
   75    74    85    87   0.00000  1.0 1.0
   75    74    85    88   0.30150 -1.0 2.0
   85    88    89    90   3.00000 -1.0 2.0
   85    88    89    91   1.63150  1.0 1.0
   85    88    89    91   2.92000 -1.0 2.0
   86    85    88    89   0.08050  1.0 3.0
   87    85    88    89   0.08050  1.0 3.0
   88    89    91    92   0.00000  1.0 1.0
   88    89    91    93   0.00000  1.0 1.0
   88    89    91    94   0.36750  1.0 3.0
   89    91    94    95  -0.95700  1.0 1.0
   89    91    94    95  -0.18200 -1.0 2.0
   89    91    94    95   0.29450  1.0 3.0
   89    91    94    99  -0.95700  1.0 1.0
   89    91    94    99  -0.18200 -1.0 2.0
   89    91    94    99   0.29450  1.0 3.0
   89    91    94   103  -0.95700  1.0 1.0
   89    91    94   103  -0.18200 -1.0 2.0
   89    91    94   103   0.29450  1.0 3.0
   90    89    91    92   0.00000  1.0 1.0
   90    89    91    93   0.00000  1.0 1.0
   90    89    91    94   0.30150 -1.0 2.0
   91    94    95    96   0.15000  1.0 3.0
   91    94    95    97   0.15000  1.0 3.0
   91    94    95    98   0.15000  1.0 3.0
   91    94    99   100   0.15000  1.0 3.0
   91    94    99   101   0.15000  1.0 3.0
   91    94    99   102   0.15000  1.0 3.0
   91    94   103   104   0.15000  1.0 3.0
   91    94   103   105   0.15000  1.0 3.0
   91    94   103   106   0.15000  1.0 3.0
   92    91    94    95   0.15000  1.0 3.0
   92    91    94    99   0.15000  1.0 3.0
   92    91    94   103   0.15000  1.0 3.0
   93    91    94    95   0.15000  1.0 3.0
   93    91    94    99   0.15000  1.0 3.0
   93    91    94   103   0.15000  1.0 3.0
   95    94    99   100   0.15000  1.0 3.0
   95    94    99   101   0.15000  1.0 3.0
   95    94    99   102   0.15000  1.0 3.0
   95    94   103   104   0.15000  1.0 3.0
   95    94   103   105   0.15000  1.0 3.0
   95    94   103   106   0.15000  1.0 3.0
   99    94    95    96   0.15000  1.0 3.0
   99    94    95    97   0.15000  1.0 3.0
   99    94    95    98   0.15000  1.0 3.0
   99    94   103   104   0.15000  1.0 3.0
   99    94   103   105   0.15000  1.0 3.0
   99    94   103   106   0.15000  1.0 3.0
  103    94    95    96   0.15000  1.0 3.0
  103    94    95    97   0.15000  1.0 3.0
  103    94    95    98   0.15000  1.0 3.0
  103    94    99   100   0.15000  1.0 3.0
  103    94    99   101   0.15000  1.0 3.0
  103    94    99   102   0.15000  1.0 3.0
   76    72    73    62   0.86500  1.0 1.0
   76    72    73    62  -0.17500 -1.0 2.0
   76    72    73    62   0.20800  1.0 3.0
   76    72    73    78   0.86500  1.0 1.0
   76    72    73    78  -0.17500 -1.0 2.0
   76    72    73    78   0.20800  1.0 3.0
   76    72    73    81   0.86500  1.0 1.0
   76    72    73    81  -0.17500 -1.0 2.0
   76    72    73    81   0.20800  1.0 3.0
   76    72    74    75   0.30150 -1.0 2.0
   76    72    74    85   0.55300  1.0 1.0
   76    72    74    85   1.25850 -1.0 2.0
   76    72    74    85  -0.23600  1.0 3.0
   51    48    49    50   0.15000  1.0 3.0
   51    48    49    55   0.56750  1.0 1.0
   51    48    49    55  -0.07550 -1.0 2.0
   51    48    49    55   0.20000  1.0 3.0
   51    48    49    57   0.56750  1.0 1.0
   51    48    49    57  -0.07550 -1.0 2.0
   51    48    49    57   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  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
   42    45    44    46   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   72    85    74    75  10.50000 -1.0 2.0
   88    91    89    90  10.50000 -1.0 2.0
END
