* LIGAND DATABASE FILE (OPLS2005)
*
001     112   116    226    375     688
    1     0 S   NP   _N1_     1    27.98924    94.26977   -24.59747
    2     1 S   H    _HN1     2     1.02776   105.48569  -104.89891
    3     1 S   H    _H1_     3     1.02958    88.68930     3.77766
    4     1 S   H    _H2_     4     1.02835    20.94893   155.42558
    5     1 S   CT   _CA1     5     1.50126   128.36994   119.01218
    6     5 S   HC   _HA1     6     1.09574   105.22164    72.28571
    7     5 S   CO3  _C1_     7     1.53792   112.36911   -47.91759
    8     7 S   O2Z  _O11     8     1.26365   114.99780   -43.81534
    9     7 S   O2Z  _O12     9     1.26237   114.93406   135.31008
   10     5 S   CT   _CB1    10     1.53098   107.42538  -169.79315
   11    10 S   HC   HB11    11     1.09826   109.34992   -50.49300
   12    10 S   HC   HB12    12     1.09817   110.41918    66.06969
   13    10 S   CT   _CG1    13     1.53011   112.65974  -171.56494
   14    13 S   HC   HG11    14     1.09596   110.48153   -64.05442
   15    13 S   HC   HG12    15     1.09655   109.93053    55.14181
   16    13 S   C    _CD1    16     1.51837   112.33469   175.52482
   17    16 S   O    _OE1    17     1.22745   123.29731    -0.23739
   18    16 S   N    _N2_    18     1.38541   111.67584   179.71401
   19    18 S   H    _HN2    19     1.01560   119.02174     4.69119
   20    18 S   CT1  _CA2    20     1.45896   122.96563   178.13449
   21    20 S   HC   _HA2    21     1.09716   109.01018    22.59622
   22    20 S   C    _C2_    22     1.52869   106.68618   -94.61352
   23    22 S   O    _O2_    23     1.23005   122.90037   -30.23321
   24    20 S   CT   _CB2    32     1.53336   112.07980   145.80334
   25    24 S   HC   HB21    33     1.09317   109.47473    55.33578
   26    24 S   HC   HB22    34     1.09476   109.66293   173.90922
   27    22 S   N    _N3_    24     1.38465   112.71389   152.41303
   28    27 S   H    _HN3    25     1.01659   120.41251    -1.25570
   29    24 S   S    _SG2    35     1.83100   110.39942   -66.39705
   30    27 S   CT   _CA3    26     1.45365   122.37401   178.79634
   31    30 S   HC   HA31    27     1.09567   107.53349   -62.14089
   32    30 S   HC   HA32    28     1.09574   107.85769    54.15343
   33    29 S   CT   _C24    36     1.89841   103.19242   168.23729
   34    30 S   CO3  _C3_    29     1.52877   114.44700   176.14979
   35    34 S   O2Z  _O31    30     1.26318   116.10575    -0.05234
   36    34 S   O2Z  _O32    31     1.26458   114.38618   180.00000
   37    33 S   CM   _C4_    37     1.52115   105.79850    50.38583
   38    37 S   HC   _H37    38     1.09068   116.06280   -81.63510
   39    33 S   CT   _C16    55     1.54661   106.69856   -68.72925
   40    39 S   HC   _H54    56     1.09587   111.37555    62.25327
   41    39 S   HC   _H55    57     1.09788   110.34043   -55.19441
   42    37 S   CMA  _C5_    39     1.35020   126.49663    98.66477
   43    42 S   OM   _O30    40     1.26201   129.26731   179.51503
   44    42 S   CT   _C8_    41     1.52502   119.55800     0.10653
   45    44 S   HC   _H38    42     1.09998   108.92053   115.25173
   46    44 S   HC   _H39    43     1.10008   110.41095  -128.60249
   47    44 S   CT   _C9_    44     1.53486   115.65977    -6.65036
   48    47 S   HC   _H40    45     1.09667   108.98805   161.67839
   49    47 S   HC   _H41    46     1.09769   108.29438   -85.13874
   50    33 S   CT   _C26    47     1.59550   112.12351   170.93044
   51    50 S   CT   _C21    48     1.60062   109.51272   172.02346
   52    51 S   HC   _H62    49     1.09889   106.59690    59.15214
   53    50 S   CT   _C28   109     1.55352   111.62796    49.01289
   54    53 S   HC   _H65   110     1.09292   112.42677    68.15017
   55    53 S   HC   _H66   111     1.09334   112.70199   -53.24064
   56    53 S   HC   _H67   112     1.09267   111.85348  -170.04434
   57    51 S   CT   _C19    50     1.55804   112.46838   -54.68894
   58    57 S   HC   _H60    51     1.09442   109.91778   -64.61307
   59    51 S   CT   _C23    71     1.56088   116.46053   173.86947
   60    59 S   HC   _H64    72     1.09534   108.86343   -60.32068
   61    57 S   CT   _C12    52     1.53306   110.61806    54.36684
   62    61 S   HC   _H46    53     1.09678   109.72267  -174.76756
   63    61 S   HC   _H47    54     1.09743   110.13332    68.59343
   64    57 S   CT   _C20    58     1.53928   108.89213   175.19119
   65    64 S   HC   _H61    59     1.10295   105.97451   -59.23340
   66    59 S   OH   _O35    73     1.41956   112.02550    57.23904
   67    66 S   HO   _H77    74     0.97223   107.78027  -174.47440
   68    64 S   CT   _C13    60     1.52305   118.40496  -177.68353
   69    68 S   HC   _H48    61     1.09483   112.15575    76.07312
   70    68 S   HC   _H49    62     1.09587   111.44754   -44.60602
   71    68 S   CT   _C17    63     1.53955   104.18909  -163.77145
   72    71 S   HC   _H56    64     1.09521   108.47656   132.55222
   73    71 S   HC   _H57    65     1.09618   109.78104  -110.49848
   74    71 S   CT   _C25    66     1.55694   106.77554    10.42909
   75    64 S   CT   _C27    67     1.54768   114.24059    59.78950
   76    74 S   CO4  _C6_    79     1.53865   112.85319   144.65698
   77    76 S   O    _O33    80     1.23283   121.54372    -4.01927
   78    74 S   OH   _O36   107     1.42813   107.94649   -98.46831
   79    78 S   HO   _H78   108     0.97291   108.26962   -55.53566
   80    75 S   CT   _C18    68     1.54547   106.46572   -60.98918
   81    80 S   HC   _H58    69     1.09701   110.03404   -65.00524
   82    80 S   HC   _H59    70     1.09463   109.92618   177.79238
   83    75 S   CT   _C29    75     1.55206   113.06739    61.39035
   84    83 S   HC   _H68    76     1.09510   112.46586    69.88164
   85    83 S   HC   _H69    77     1.09153   113.24029   -50.31027
   86    83 S   HC   _H70    78     1.09542   110.74551  -170.68527
   87    76 S   CT   _C30    81     1.52047   117.59275   175.80950
   88    87 S   HC   _H71    82     1.09255   108.81367    75.39182
   89    87 S   HC   _H72    83     1.09368   109.67439   -46.70639
   90    87 S   OS   _O37    84     1.43045   108.62309  -165.91593
   91    90 S   CO4  _C7_    85     1.36537   115.27072  -178.21513
   92    91 S   O    _O34    86     1.22313   125.67341    -0.20558
   93    91 S   CT   _C31    87     1.51162   108.95259  -179.93147
   94    93 S   HC   _H73    88     1.09581   108.11935   -56.47577
   95    93 S   HC   _H74    89     1.09519   107.83523    61.39298
   96    93 S   CT   _C32    90     1.52884   111.91164  -177.26655
   97    96 S   HC   _H75    91     1.09773   109.45489   -60.57724
   98    96 S   HC   _H76    92     1.09774   109.34913    55.37799
   99    96 S   CT   _C22    93     1.52918   112.54602   176.59303
  100    99 S   HC   _H63    94     1.09864   109.36304   -58.00978
  101    99 S   CT   _C14    95     1.52723   112.55417  -179.20919
  102   101 S   HC   _H50    96     1.09434   112.42647    74.29382
  103   101 S   HC   _H51    97     1.09700   110.93728   -46.78628
  104   101 S   CT   _C10    98     1.52272   103.58055  -164.62285
  105   104 S   HC   _H42    99     1.09645   110.05519   -88.15783
  106   104 S   HC   _H43   100     1.09436   111.82514   152.42009
  107   104 S   CT   _C11   101     1.52829   105.73040    30.15067
  108   107 S   HC   _H44   102     1.09508   111.52697   113.80991
  109   107 S   HC   _H45   103     1.09578   110.05768  -127.14649
  110    99 S   CT   _C15   104     1.52813   114.37252    64.72017
  111   110 S   HC   _H52   105     1.09700   110.76570    40.96360
  112   110 S   HC   _H53   106     1.09449   112.41081   -79.60110
  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  13   6   5   8   4   8   5   4  11   4
   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   9   5   4  12
   5   4  13   8  11   6   5   8   5   4   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    61    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    61    62    63    39    40    41    59    53    54    55    56  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    61    39    40    41    53  
   42    43    44    50    39  
   40    41    64    53    42    47    50    51    57    58    61    62    63  
   41    50    57    61    62    63  
   50    57    61    62    63  
   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    59    53    54    55    56  
   49    50    51    53  
   50    51    53  
   51    52    57    58    61    64    80    59    60    66    53    54    55    56  
   52    57    58    61    62    63    64    65    68    75    80    81    82    59    60    66    67    53    54    55    56  
   57    58    61    64    80    59    60    66    53  
   54    55    56    57    59  
   55    56  
   56  
    0  
   58    61    62    63    64    65    68    69    70    71    74    75    80    59    60    66    83  
   61    62    63    64    65    68    75    59  
   60    66    67    83    61    64    74    75    80    81    82  
   66    67    75    80    81    82  
   62    63    64    65    68    75  
   63    64  
   64  
   65    68    69    70    71    72    73    74    75    80    81    82    83    84    85    86    76    78  
   68    69    70    71    74    75    80    83  
   67    75    80    81    82  
   80  
   69    70    71    72    73    74    75    80    83    76    78  
   70    71    72    73    74    75  
   71    72    73    74    75  
   72    73    74    75    80    83    76    77    87    78    79  
   73    74    75    76    78  
   74    75    76    78  
   75    80    81    82    83    84    85    86    76    77    87    88    89    90    78    79  
   80    81    82    83    84    85    86    76    77    87    78    79  
   77    87    88    89    90    91    78    79    80    83  
   87    88    89    90    78  
   79    80    83    87  
    0  
   81    82    83    84    85    86  
   82    83  
   83  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    93  
   89    90    91  
   90    91  
   91    92    93    94    95    96  
   92    93    94    95    96    97    98    99  
   93    94    95    96  
   94    95    96    97    98    99   100   101   110  
   95    96    97    98    99  
   96    97    98    99  
   97    98    99   100   101   102   103   104   107   110   111   112  
   98    99   100   101   110  
   99   100   101   110  
  100   101   102   103   104   105   106   107   108   109   110   111   112  
  101   102   103   104   107   110   111   112  
  102   103   104   105   106   107   108   109   110   111   112  
  103   104   105   106   107   110  
  104   105   106   107   110  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110  
  107   108   109   110  
  108   109   110   111   112  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    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  -0.060000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   79   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   92   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   93   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   2.4200   0.0150   0.060000   1.3810   1.2100   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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  -0.120000   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   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  111   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  112   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    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    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    64   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   64    65   340.000  1.090
   64    68   268.000  1.529
   64    75   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   268.000  1.529
   74    76   317.000  1.522
   74    78   320.000  1.410
   75    80   268.000  1.529
   75    83   268.000  1.529
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    59   268.000  1.529
   59    60   340.000  1.090
   59    66   320.000  1.410
   66    67   553.000  0.945
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   76    77   570.000  1.229
   76    87   317.000  1.522
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   320.000  1.410
   90    91   214.000  1.327
   91    92   570.000  1.229
   91    93   317.000  1.522
   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   340.000  1.090
   99   101   268.000  1.529
   99   110   268.000  1.529
  101   102   340.000  1.090
  101   103   340.000  1.090
  101   104   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110   111   340.000  1.090
  110   112   340.000  1.090
   78    79   553.000  0.945
   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    61    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    59    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    61    58.35000  112.70000
   51    57    64    58.35000  112.70000
   51    59    80    58.35000  112.70000
   51    59    60    37.50000  110.70000
   51    59    66    50.00000  109.50000
   57    51    52    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    39    58.35000  112.70000
   57    64    65    37.50000  110.70000
   57    64    68    58.35000  112.70000
   57    64    75    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    39    40    37.50000  110.70000
   61    39    41    37.50000  110.70000
   63    61    62    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   39    61    62    37.50000  110.70000
   39    61    63    37.50000  110.70000
   41    39    40    33.00000  107.80000
   64    57    58    37.50000  110.70000
   64    57    61    58.35000  112.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    58.35000  112.70000
   64    75    74    58.35000  112.70000
   64    75    80    58.35000  112.70000
   64    75    83    58.35000  112.70000
   68    64    65    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    58.35000  112.70000
   71    74    76    63.00000  111.10000
   71    74    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    75    80    58.35000  112.70000
   74    75    83    58.35000  112.70000
   74    76    77    80.00000  120.40000
   74    76    87    70.00000  116.00000
   74    78    79    55.00000  108.50000
   75    64    65    37.50000  110.70000
   75    64    68    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    59    58.35000  112.70000
   75    83    84    37.50000  110.70000
   75    83    85    37.50000  110.70000
   75    83    86    37.50000  110.70000
   80    59    60    37.50000  110.70000
   80    59    66    50.00000  109.50000
   82    80    81    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    57    58.35000  112.70000
   59    80    81    37.50000  110.70000
   59    80    82    37.50000  110.70000
   59    66    67    55.00000  108.50000
   66    59    60    35.00000  109.50000
   83    75    80    58.35000  112.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   76    74    75    63.00000  111.10000
   76    87    88    35.00000  109.50000
   76    87    89    35.00000  109.50000
   76    87    90    90.00000  108.74100
   87    76    77    80.00000  120.40000
   87    90    91    83.00000  116.90000
   89    87    88    33.00000  107.80000
   90    87    88    35.00000  109.50000
   90    87    89    35.00000  109.50000
   90    91    92    83.00000  123.40000
   90    91    93    81.00000  111.40000
   91    93    94    35.00000  109.50000
   91    93    95    35.00000  109.50000
   91    93    96    63.00000  111.10000
   93    91    92    80.00000  120.40000
   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    37.50000  110.70000
   96    99   101    58.35000  112.70000
   96    99   110    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   101   102    37.50000  110.70000
   99   101   103    37.50000  110.70000
   99   101   104    58.35000  112.70000
   99   110   107    58.35000  112.70000
   99   110   111    37.50000  110.70000
   99   110   112    37.50000  110.70000
  101    99   100    37.50000  110.70000
  101   104   105    37.50000  110.70000
  101   104   106    37.50000  110.70000
  101   104   107    58.35000  112.70000
  103   101   102    33.00000  107.80000
  104   101   102    37.50000  110.70000
  104   101   103    37.50000  110.70000
  104   107   108    37.50000  110.70000
  104   107   109    37.50000  110.70000
  104   107   110    58.35000  112.70000
  106   104   105    33.00000  107.80000
  107   104   105    37.50000  110.70000
  107   104   106    37.50000  110.70000
  107   110   111    37.50000  110.70000
  107   110   112    37.50000  110.70000
  109   107   108    33.00000  107.80000
  110    99   100    37.50000  110.70000
  110    99   101    58.35000  112.70000
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  112   110   111    33.00000  107.80000
   78    74    75    50.00000  109.50000
   78    74    76    90.00000  109.61100
   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
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   74    75    83    86   0.15000  1.0 3.0
   74    76    87    88   0.00000  1.0 1.0
   74    76    87    89   0.00000  1.0 1.0
   74    76    87    90   0.55300  1.0 1.0
   74    76    87    90   1.25850 -1.0 2.0
   74    76    87    90  -0.23600  1.0 3.0
   75    64    68    69   0.15000  1.0 3.0
   75    64    68    70   0.15000  1.0 3.0
   75    64   -68    71   0.56750  1.0 1.0
   75    64   -68    71  -0.07550 -1.0 2.0
   75    64   -68    71   0.20000  1.0 3.0
   75    74    76    77   0.30150 -1.0 2.0
   75    74    76    87   0.60050  1.0 1.0
   75    74    76    87   0.05600 -1.0 2.0
   75    74    76    87   0.26150  1.0 3.0
   75    74    78    79  -0.11600  1.0 1.0
   75    74    78    79  -0.09450 -1.0 2.0
   75    74    78    79   0.21250  1.0 3.0
   75    80   -59    51   0.56750  1.0 1.0
   75    80   -59    51  -0.07550 -1.0 2.0
   75    80   -59    51   0.20000  1.0 3.0
   75    80    59    60   0.15000  1.0 3.0
   75    80    59    66   0.86500  1.0 1.0
   75    80    59    66  -0.17500 -1.0 2.0
   75    80    59    66   0.20800  1.0 3.0
   80    75    83    84   0.15000  1.0 3.0
   80    75    83    85   0.15000  1.0 3.0
   80    75    83    86   0.15000  1.0 3.0
   80    59    66    67  -0.11600  1.0 1.0
   80    59    66    67  -0.09450 -1.0 2.0
   80    59    66    67   0.21250  1.0 3.0
   81    80    59    51   0.15000  1.0 3.0
   81    80    59    60   0.15000  1.0 3.0
   81    80    59    66   0.23400  1.0 3.0
   82    80    59    51   0.15000  1.0 3.0
   82    80    59    60   0.15000  1.0 3.0
   82    80    59    66   0.23400  1.0 3.0
   59    51    57    58   0.15000  1.0 3.0
   59    51    57    61   0.56750  1.0 1.0
   59    51    57    61  -0.07550 -1.0 2.0
   59    51    57    61   0.20000  1.0 3.0
   59    51   -57    64   0.56750  1.0 1.0
   59    51   -57    64  -0.07550 -1.0 2.0
   59    51   -57    64   0.20000  1.0 3.0
   60    59    66    67   0.19450  1.0 3.0
   83    75    80    81   0.15000  1.0 3.0
   83    75    80    82   0.15000  1.0 3.0
   83    75    80    59   0.56750  1.0 1.0
   83    75    80    59  -0.07550 -1.0 2.0
   83    75    80    59   0.20000  1.0 3.0
   76    74    75    64  -0.95700  1.0 1.0
   76    74    75    64  -0.18200 -1.0 2.0
   76    74    75    64   0.29450  1.0 3.0
   76    74    75    80  -0.95700  1.0 1.0
   76    74    75    80  -0.18200 -1.0 2.0
   76    74    75    80   0.29450  1.0 3.0
   76    74    75    83  -0.95700  1.0 1.0
   76    74    75    83  -0.18200 -1.0 2.0
   76    74    75    83   0.29450  1.0 3.0
   76    74    78    79   0.91850  1.0 1.0
   76    74    78    79   0.57950  1.0 3.0
   76    87    90    91  -1.80650  1.0 1.0
   76    87    90    91   0.63900 -1.0 2.0
   76    87    90    91   0.03650  1.0 3.0
   77    76    87    88   0.00000  1.0 1.0
   77    76    87    89   0.00000  1.0 1.0
   77    76    87    90   0.30150 -1.0 2.0
   87    90    91    92   3.00000 -1.0 2.0
   87    90    91    93   1.63150  1.0 1.0
   87    90    91    93   2.92000 -1.0 2.0
   88    87    90    91   0.08050  1.0 3.0
   89    87    90    91   0.08050  1.0 3.0
   90    91    93    94   0.00000  1.0 1.0
   90    91    93    95   0.00000  1.0 1.0
   90    91    93    96   0.36750  1.0 3.0
   91    93    96    97  -0.11250  1.0 3.0
   91    93    96    98  -0.11250  1.0 3.0
   91    93    96    99  -0.95700  1.0 1.0
   91    93    96    99  -0.18200 -1.0 2.0
   91    93    96    99   0.29450  1.0 3.0
   92    91    93    94   0.00000  1.0 1.0
   92    91    93    95   0.00000  1.0 1.0
   92    91    93    96   0.30150 -1.0 2.0
   93    96    99   100   0.15000  1.0 3.0
   93    96    99   101   0.56750  1.0 1.0
   93    96    99   101  -0.07550 -1.0 2.0
   93    96    99   101   0.20000  1.0 3.0
   93    96    99   110   0.56750  1.0 1.0
   93    96    99   110  -0.07550 -1.0 2.0
   93    96    99   110   0.20000  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   101   102   0.15000  1.0 3.0
   96    99   101   103   0.15000  1.0 3.0
   96    99   101   104   0.56750  1.0 1.0
   96    99   101   104  -0.07550 -1.0 2.0
   96    99   101   104   0.20000  1.0 3.0
   96    99   110   107   0.56750  1.0 1.0
   96    99   110   107  -0.07550 -1.0 2.0
   96    99   110   107   0.20000  1.0 3.0
   96    99   110   111   0.15000  1.0 3.0
   96    99   110   112   0.15000  1.0 3.0
   97    96    99   100   0.15000  1.0 3.0
   97    96    99   101   0.15000  1.0 3.0
   97    96    99   110   0.15000  1.0 3.0
   98    96    99   100   0.15000  1.0 3.0
   98    96    99   101   0.15000  1.0 3.0
   98    96    99   110   0.15000  1.0 3.0
   99   101   104   105   0.15000  1.0 3.0
   99   101   104   106   0.15000  1.0 3.0
   99   101  -104   107   0.56750  1.0 1.0
   99   101  -104   107  -0.07550 -1.0 2.0
   99   101  -104   107   0.20000  1.0 3.0
  100    99   101   102   0.15000  1.0 3.0
  100    99   101   103   0.15000  1.0 3.0
  100    99   101   104   0.15000  1.0 3.0
  100    99   110   107   0.15000  1.0 3.0
  100    99   110   111   0.15000  1.0 3.0
  100    99   110   112   0.15000  1.0 3.0
  101    99  -110   107   0.56750  1.0 1.0
  101    99  -110   107  -0.07550 -1.0 2.0
  101    99  -110   107   0.20000  1.0 3.0
  101    99   110   111   0.15000  1.0 3.0
  101    99   110   112   0.15000  1.0 3.0
  101   104   107   108   0.15000  1.0 3.0
  101   104   107   109   0.15000  1.0 3.0
  101   104  -107   110   0.56750  1.0 1.0
  101   104  -107   110  -0.07550 -1.0 2.0
  101   104  -107   110   0.20000  1.0 3.0
  102   101   104   105   0.15000  1.0 3.0
  102   101   104   106   0.15000  1.0 3.0
  102   101   104   107   0.15000  1.0 3.0
  103   101   104   105   0.15000  1.0 3.0
  103   101   104   106   0.15000  1.0 3.0
  103   101   104   107   0.15000  1.0 3.0
  104   107  -110    99   0.56750  1.0 1.0
  104   107  -110    99  -0.07550 -1.0 2.0
  104   107  -110    99   0.20000  1.0 3.0
  104   107   110   111   0.15000  1.0 3.0
  104   107   110   112   0.15000  1.0 3.0
  105   104   107   108   0.15000  1.0 3.0
  105   104   107   109   0.15000  1.0 3.0
  105   104   107   110   0.15000  1.0 3.0
  106   104   107   108   0.15000  1.0 3.0
  106   104   107   109   0.15000  1.0 3.0
  106   104   107   110   0.15000  1.0 3.0
  108   107   110    99   0.15000  1.0 3.0
  108   107   110   111   0.15000  1.0 3.0
  108   107   110   112   0.15000  1.0 3.0
  109   107   110    99   0.15000  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  109   107   110   112   0.15000  1.0 3.0
  110    99   101   102   0.15000  1.0 3.0
  110    99   101   103   0.15000  1.0 3.0
  110    99  -101   104   0.56750  1.0 1.0
  110    99  -101   104  -0.07550 -1.0 2.0
  110    99  -101   104   0.20000  1.0 3.0
   78    74    75    64   0.86500  1.0 1.0
   78    74    75    64  -0.17500 -1.0 2.0
   78    74    75    64   0.20800  1.0 3.0
   78    74    75    80   0.86500  1.0 1.0
   78    74    75    80  -0.17500 -1.0 2.0
   78    74    75    80   0.20800  1.0 3.0
   78    74    75    83   0.86500  1.0 1.0
   78    74    75    83  -0.17500 -1.0 2.0
   78    74    75    83   0.20800  1.0 3.0
   78    74    76    77   0.30150 -1.0 2.0
   78    74    76    87   0.55300  1.0 1.0
   78    74    76    87   1.25850 -1.0 2.0
   78    74    76    87  -0.23600  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    59   0.56750  1.0 1.0
   53    50    51    59  -0.07550 -1.0 2.0
   53    50    51    59   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
   74    87    76    77  10.50000 -1.0 2.0
   90    93    91    92  10.50000 -1.0 2.0
END
