* LIGAND DATABASE FILE (OPLS2005)
*
001     112   117    218    350     642
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02087    93.08207   -63.93357
    3     1 S   H    _H1_     3     1.02047    87.36984    44.66821
    4     1 S   H    _H2_     4     1.02100    33.17708   175.74200
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C18    36     1.83167    97.84818   161.83690
   34    33 S   HC   _H5_    37     1.09581   104.61681    40.58772
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C19    38     1.54577   111.42134   -79.97955
   39    38 S   HC   _H6_    39     1.09990   111.19395    -0.85157
   40    33 S   CT   _C17    85     1.53513   111.80419   157.24675
   41    40 S   HC   _H4_    86     1.09531   111.90498   -56.63404
   42    38 S   CO4  _C20    40     1.52216   112.14364   115.26344
   43    42 S   O    _O34    41     1.22603   122.49569   -25.51520
   44    40 S   CO4  _C21    87     1.52393   108.17896    65.67000
   45    44 S   O    _O35    88     1.22754   122.61893  -120.01829
   46    42 S   CA   _C12    42     1.47572   115.72663   158.50148
   47    62 S   CT   _C22    89     1.54750   111.41460    56.33115
   48    46 S   CA   _C13    43     1.39343   119.10106    -5.25218
   49    47 S   OS   _O36    90     1.43920   106.13970  -164.73380
   50    47 S   CT   _C26   100     1.51837   116.37655    73.16524
   51    50 S   HC   _H21   101     1.09724   109.36040   -44.67251
   52    50 S   HC   _H22   102     1.09457   109.62923  -160.35196
   53    48 S   CA   _C8_    44     1.39558   119.66759   176.10173
   54    48 S   OS   _O33    78     1.36850   123.82933    -3.11628
   55    75 S   CT   _C23    91     1.56267   102.09590   159.73142
   56    50 S   CM   _C27   103     1.50326   111.42781    74.99366
   57    56 S   HC   _H23   104     1.08993   113.81706   -91.18077
   58    53 S   CA   _C9_    45     1.39796   120.20237     1.78991
   59    53 S   CT   _C7_    64     1.49768   120.30962  -177.52504
   60    59 S   HC   _H11    65     1.10137   109.80861    -0.72820
   61    59 S   HC   _H12    66     1.09772   109.98685   113.15119
   62    38 S   CT   _C14    79     1.54947   111.57047  -122.59073
   63    55 S   CT   _C24    92     1.53491   112.86898  -145.85390
   64    63 S   HC   _H15    93     1.08682   109.40617   179.95154
   65    63 S   HC   _H16    94     1.08624   109.42686    59.99647
   66    63 S   HC   _H17    95     1.08571   109.41872   -60.03397
   67    55 S   CT   _C25    96     1.53313   116.09338    90.72994
   68    67 S   HC   _H18    97     1.08683   109.52505  -179.95577
   69    67 S   HC   _H19    98     1.08681   109.49697    60.03697
   70    67 S   HC   _H20    99     1.08655   109.53849   -59.98282
   71    56 S   CM   _C28   105     1.34335   126.90558    89.70288
   72    58 S   CA   _C10    46     1.39604   120.16549    -0.65252
   73    59 S   CM   _C6_    67     1.50698   112.72510  -121.04254
   74    73 S   HC   _H10    68     1.08971   114.10472    32.53009
   75    62 S   CT   _C15    80     1.55554   116.17338   -53.44162
   76    75 S   HC   _H3_    81     1.09593   114.01300   -81.80742
   77    71 S   CO4  _C30   106     1.48846   115.91939     0.00000
   78    77 S   O    _O37   107     1.22592   123.01126  -179.93147
   79    77 S   HC   _H27   108     1.10336   116.13565     0.01978
   80    71 S   CT   _C29   109     1.49595   127.30227   179.10693
   81    80 S   HC   _H24   110     1.09512   110.39205    89.99568
   82    80 S   HC   _H25   111     1.09511   110.23126   -29.55517
   83    80 S   HC   _H26   112     1.09252   113.18238  -150.48451
   84    46 S   CA   _C11    47     1.39834   120.50939   172.71562
   85    72 S   CM   _C31    50     1.45343   119.74913   179.97202
   86    85 S   HC   _H29    51     1.08255   121.02960   179.82641
   87    73 S   CM   _C5_    69     1.34713   128.01356  -148.60981
   88    75 S   CT   _C16    82     1.55233   107.59008    39.56035
   89    88 S   HC   _H13    83     1.09834   108.51348   -98.04169
   90    88 S   HC   _H14    84     1.09277   113.06631   146.42627
   91    84 S   OH   _O38    48     1.36587   120.90290     2.41298
   92    91 S   HO   _H28    49     0.96882   110.05353     0.46267
   93    85 S   CM   _C32    52     1.33406   118.23361    -0.23070
   94    93 S   HC   _H30    53     1.08757   118.80148  -179.92338
   95    87 S   CT   _C4_    70     1.50188   125.30318  -179.97202
   96    95 S   HC   _H7_    71     1.09194   113.61559    90.01519
   97    95 S   HC   _H8_    72     1.09538   110.05910  -150.06123
   98    95 S   HC   _H9_    73     1.09561   110.06232   -30.81243
   99    87 S   CT   _C36    74     1.50585   120.34860    -0.41022
  100    99 S   HC   _H37    75     1.09531   112.44158    90.00449
  101    99 S   HC   _H38    76     1.09511   110.19395  -149.95357
  102    99 S   HC   _H39    77     1.09482   110.30180   -30.18941
  103    93 S   CT   _C33    54     1.51101   123.09807     0.03956
  104    58 S   OS   _O39    55     1.36537   116.14021   179.37819
  105   103 S   CT   _C34    56     1.53330   109.21934  -119.65900
  106   105 S   HC   _H31    57     1.08708   109.50338  -179.96574
  107   105 S   HC   _H32    58     1.08689   109.55018    60.05392
  108   105 S   HC   _H33    59     1.08724   109.54507   -60.00558
  109   103 S   CT   _C35    60     1.53345   109.26232   120.55158
  110   109 S   HC   _H34    61     1.08642   109.52351   179.95154
  111   109 S   HC   _H35    62     1.08709   109.53537    60.00380
  112   109 S   HC   _H36    63     1.08675   109.51524   -59.99920
  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  10   5   4   3
  17   8   2   1   1  18   8  14   7  11   4  14   5  11  16  13
  18  11   5   4  14   8  14  10   3  14   9   4   3   7  10   4
   3   2   6   3   2   1   7   9  10   3   4   3   6   2   1   3
   2   1   1   6   8   3   8   2   1   1   1   1  11   4   7   3
   2   1   3   2   1   1   9   8   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    62    88    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    46    54    62    75    88    89    90    40    41    44    45    47  
   38    39    42    62    88    40    41    44  
   36    37  
   37  
    0  
   39    42    43    46    48    84    54    62    75    76    88    40    41    44    47    49    55    50  
   42    43    46    54    62    75    40    47  
   41    44    45    47    49    55    50    42    62    75    76    88    89    90  
   44    45    47    75    88    89    90  
   43    46    48    53    72    84    91    54    62    75    47  
   46    48    84    62  
   45    47    49    55    50    51    52    56    54    62    75    88    89    90  
   47    49    50    62    88  
   48    53    58    72    84    91    92    85    59    54    62  
   49    55    63    67    50    51    52    56    57    71    48    54    62    75    76    88  
   53    58    72    84    91   104    59    60    61    73    54    62    75  
   55    63    64    65    66    67    68    69    70    50    51    52    56    54    62    75    76    88  
   51    52    56    57    71    77    80    54    55    62    75  
   52    56    57    71    62  
   56    57    71    62  
   58    72    84    85   103   104    59    60    61    73    74    87    54    62  
   62    75    76    88    55    58    59    84  
   63    64    65    66    67    68    69    70    62    75    76    88    89    90  
   57    71    77    78    79    80    81    82    83    62  
   71    77    80  
   72    84    91    85    86    93   103   104   105   109    59    60    61    73  
   60    61    73    74    87    95    99    72   104  
   61    73    74    87  
   73    74    87  
   75    76    88    89    90    63    67  
   64    65    66    67    68    69    70    75    76    88  
   65    66    67    75  
   66    67    75  
   67    75  
   68    69    70    75    76    88  
   69    70    75  
   70    75  
   75  
   77    78    79    80    81    82    83  
   84    91    92    85    86    93    94   103   104  
   74    87    95    96    97    98    99   100   101   102  
   87    95    99  
   76    88    89    90  
   88    89    90  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    0  
   91    92    85    86    93   104  
   86    93    94   103   104   105   109    91  
   93    94   103  
   95    96    97    98    99   100   101   102  
   89    90  
   90  
    0  
   92  
    0  
   94   103   104   105   106   107   108   109   110   111   112  
  103   104   105   109  
   96    97    98    99   100   101   102  
   97    98    99  
   98    99  
   99  
  100   101   102  
  101   102  
  102  
    0  
  104   105   106   107   108   109   110   111   112  
  105   106   107   108   109   110   111   112  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109  
  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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660  -0.005000   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   79   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   88   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   94   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   0.269000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
  105   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   317.000  1.522
   38    62   268.000  1.529
   42    43   570.000  1.229
   42    46   310.000  1.470
   46    48   469.000  1.400
   46    84   469.000  1.400
   48    53   469.000  1.400
   48    54   450.000  1.364
   53    58   469.000  1.400
   53    59   317.000  1.510
   58    72   469.000  1.400
   58   104   450.000  1.364
   72    84   469.000  1.400
   72    85   320.000  1.460
   84    91   450.000  1.364
   91    92   553.000  0.945
   85    86   340.000  1.080
   85    93   549.000  1.340
   93    94   340.000  1.080
   93   103   317.000  1.510
  103   104   320.000  1.410
  103   105   268.000  1.529
  103   109   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    73   317.000  1.510
   73    74   340.000  1.080
   73    87   549.000  1.340
   87    95   317.000  1.510
   87    99   317.000  1.510
   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
   54    62   320.000  1.410
   62    75   268.000  1.529
   62    47   268.000  1.529
   75    76   340.000  1.090
   75    88   268.000  1.529
   75    55   268.000  1.529
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    40   268.000  1.529
   40    41   340.000  1.090
   40    44   317.000  1.522
   44    45   570.000  1.229
   44    47   317.000  1.522
   47    49   320.000  1.410
   47    50   268.000  1.529
   49    55   320.000  1.410
   55    63   268.000  1.529
   55    67   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   317.000  1.510
   56    57   340.000  1.080
   56    71   549.000  1.340
   71    77   320.000  1.462
   71    80   317.000  1.510
   77    78   570.000  1.229
   77    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    38    62    58.35000  112.70000
   33    40    88    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    46    65.00000  115.47100
   38    62    54    50.00000  109.50000
   38    62    75    58.35000  112.70000
   38    62    47    58.35000  112.70000
   42    38    39    35.00000  109.50000
   42    46    48    60.00000  119.52600
   42    46    84    60.00000  119.52600
   46    42    43    75.00000  123.78400
   46    48    53    63.00000  120.00000
   46    48    54    70.00000  120.00000
   46    84    72    63.00000  120.00000
   46    84    91    70.00000  120.00000
   48    53    58    63.00000  120.00000
   48    53    59    70.00000  120.00000
   48    54    62    75.00000  111.00000
   53    58    72    63.00000  120.00000
   53    58   104    70.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    73    70.00000  112.99600
   58    72    84    63.00000  120.00000
   58    72    85    60.00000  120.93500
   58   104   103    75.00000  111.00000
   72    84    91    70.00000  120.00000
   72    85    86    40.00000  117.26300
   72    85    93    60.00000  123.20500
   84    46    48    63.00000  120.00000
   84    91    92    35.00000  113.00000
   85    72    84    60.00000  120.93500
   85    93    94    35.00000  120.00000
   85    93   103    70.00000  124.00000
   93    85    86    35.00000  120.00000
   93   103   104    85.00000  110.90400
   93   103   105    70.00000  112.02700
   93   103   109    70.00000  112.02700
  103    93    94    35.00000  117.00000
  103   105   106    37.50000  110.70000
  103   105   107    37.50000  110.70000
  103   105   108    37.50000  110.70000
  103   109   110    37.50000  110.70000
  103   109   111    37.50000  110.70000
  103   109   112    37.50000  110.70000
  104    58    72    70.00000  120.00000
  105   103   104    50.00000  109.50000
  107   105   106    33.00000  107.80000
  108   105   106    33.00000  107.80000
  108   105   107    33.00000  107.80000
  109   103   104    50.00000  109.50000
  109   103   105    58.35000  112.70000
  111   109   110    33.00000  107.80000
  112   109   110    33.00000  107.80000
  112   109   111    33.00000  107.80000
   59    53    58    70.00000  120.00000
   59    73    74    35.00000  117.00000
   59    73    87    70.00000  124.00000
   61    59    60    33.00000  107.80000
   73    59    60    35.00000  109.50000
   73    59    61    35.00000  109.50000
   73    87    95    70.00000  124.00000
   73    87    99    70.00000  124.00000
   87    73    74    35.00000  120.00000
   87    95    96    35.00000  109.50000
   87    95    97    35.00000  109.50000
   87    95    98    35.00000  109.50000
   87    99   100    35.00000  109.50000
   87    99   101    35.00000  109.50000
   87    99   102    35.00000  109.50000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   99    87    95    65.00000  117.92700
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
   54    48    53    70.00000  120.00000
   54    62    75    50.00000  109.50000
   54    62    47    50.00000  109.50000
   62    38    39    37.50000  110.70000
   62    38    42    63.00000  111.10000
   62    75    76    37.50000  110.70000
   62    75    88    58.35000  112.70000
   62    75    55    58.35000  112.70000
   62    47    44    63.00000  111.10000
   62    47    49    50.00000  109.50000
   62    47    50    58.35000  112.70000
   75    88    89    37.50000  110.70000
   75    88    90    37.50000  110.70000
   75    88    40    58.35000  112.70000
   75    55    49    50.00000  109.50000
   75    55    63    58.35000  112.70000
   75    55    67    58.35000  112.70000
   88    75    76    37.50000  110.70000
   88    40    41    37.50000  110.70000
   88    40    44    63.00000  111.10000
   90    88    89    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    88    89    37.50000  110.70000
   40    88    90    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    47    70.00000  116.00000
   44    40    41    35.00000  109.50000
   44    47    49    90.00000  108.74100
   44    47    50    63.00000  111.10000
   47    62    75    58.35000  112.70000
   47    44    45    80.00000  120.40000
   47    49    55    60.00000  109.50000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    56    70.00000  112.02700
   49    55    63    50.00000  109.50000
   49    55    67    50.00000  109.50000
   55    75    76    37.50000  110.70000
   55    75    88    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    65    37.50000  110.70000
   55    63    66    37.50000  110.70000
   55    67    68    37.50000  110.70000
   55    67    69    37.50000  110.70000
   55    67    70    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    55    63    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   50    47    49    50.00000  109.50000
   50    56    57    35.00000  117.00000
   50    56    71    70.00000  124.00000
   52    50    51    33.00000  107.80000
   56    50    51    35.00000  109.50000
   56    50    52    35.00000  109.50000
   56    71    77    65.00000  118.96000
   56    71    80    70.00000  124.00000
   71    56    57    35.00000  120.00000
   71    77    78    80.00000  123.72100
   71    77    79    40.00000  115.75000
   71    80    81    35.00000  109.50000
   71    80    82    35.00000  109.50000
   71    80    83    35.00000  109.50000
   79    77    78    35.00000  123.00000
   80    71    77    65.00000  116.34900
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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
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   40    33    38    42  -0.95700  1.0 1.0
   40    33    38    42  -0.18200 -1.0 2.0
   40    33    38    42   0.29450  1.0 3.0
   40    33   -38    62   0.56750  1.0 1.0
   40    33   -38    62  -0.07550 -1.0 2.0
   40    33   -38    62   0.20000  1.0 3.0
   40    44   -47    62   0.60050  1.0 1.0
   40    44   -47    62   0.05600 -1.0 2.0
   40    44   -47    62   0.26150  1.0 3.0
   40    44    47    49   0.55300  1.0 1.0
   40    44    47    49   1.25850 -1.0 2.0
   40    44    47    49  -0.23600  1.0 3.0
   40    44    47    50   0.60050  1.0 1.0
   40    44    47    50   0.05600 -1.0 2.0
   40    44    47    50   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    47   0.00000  1.0 1.0
   44    47    49    55  -1.11000  1.0 1.0
   44    47    49    55   0.50250 -1.0 2.0
   44    47    49    55   0.47450  1.0 3.0
   44    47    50    51  -0.11250  1.0 3.0
   44    47    50    52  -0.11250  1.0 3.0
   44    47    50    56  -0.98800  1.0 1.0
   44    47    50    56   0.48800 -1.0 2.0
   44    47    50    56   0.76800  1.0 3.0
   45    44    47    62   0.30150 -1.0 2.0
   45    44    47    49   0.30150 -1.0 2.0
   45    44    47    50   0.30150 -1.0 2.0
   47    62    75    76   0.15000  1.0 3.0
   47    62   -75    88   0.56750  1.0 1.0
   47    62   -75    88  -0.07550 -1.0 2.0
   47    62   -75    88   0.20000  1.0 3.0
   47    62   -75    55   0.56750  1.0 1.0
   47    62   -75    55  -0.07550 -1.0 2.0
   47    62   -75    55   0.20000  1.0 3.0
   47    49   -55    75   0.06250  1.0 1.0
   47    49   -55    75  -0.01100 -1.0 2.0
   47    49   -55    75   0.28050  1.0 3.0
   47    49    55    63   0.06250  1.0 1.0
   47    49    55    63  -0.01100 -1.0 2.0
   47    49    55    63   0.28050  1.0 3.0
   47    49    55    67   0.06250  1.0 1.0
   47    49    55    67  -0.01100 -1.0 2.0
   47    49    55    67   0.28050  1.0 3.0
   47    50    56    57   0.00000  1.0 1.0
   47    50    56    71   0.09850  1.0 1.0
   47    50    56    71   0.15250 -1.0 2.0
   47    50    56    71  -0.50650  1.0 3.0
   49    47    50    51   0.23400  1.0 3.0
   49    47    50    52   0.23400  1.0 3.0
   49    47    50    56   0.61850  1.0 1.0
   49    47    50    56  -0.22750 -1.0 2.0
   49    47    50    56   0.15300  1.0 3.0
   49    55    63    64   0.23400  1.0 3.0
   49    55    63    65   0.23400  1.0 3.0
   49    55    63    66   0.23400  1.0 3.0
   49    55    67    68   0.23400  1.0 3.0
   49    55    67    69   0.23400  1.0 3.0
   49    55    67    70   0.23400  1.0 3.0
   55    75    88    89   0.15000  1.0 3.0
   55    75    88    90   0.15000  1.0 3.0
   55    75    88    40   0.56750  1.0 1.0
   55    75    88    40  -0.07550 -1.0 2.0
   55    75    88    40   0.20000  1.0 3.0
   63    55    67    68   0.15000  1.0 3.0
   63    55    67    69   0.15000  1.0 3.0
   63    55    67    70   0.15000  1.0 3.0
   67    55    63    64   0.15000  1.0 3.0
   67    55    63    65   0.15000  1.0 3.0
   67    55    63    66   0.15000  1.0 3.0
   50    47    49    55   0.06250  1.0 1.0
   50    47    49    55  -0.01100 -1.0 2.0
   50    47    49    55   0.28050  1.0 3.0
   50    56    71    77   7.00000 -1.0 2.0
   50    56    71    80   7.00000 -1.0 2.0
   51    50    56    57   0.33100  1.0 3.0
   51    50    56    71   0.00000  1.0 1.0
   52    50    56    57   0.33100  1.0 3.0
   52    50    56    71   0.00000  1.0 1.0
   56    71    77    78   1.00000 -1.0 2.0
   56    71    77    79  -0.79650  1.0 1.0
   56    71    77    79   1.60950 -1.0 2.0
   56    71    77    79  -0.26250  1.0 3.0
   56    71    80    81   0.00000  1.0 1.0
   56    71    80    82   0.00000  1.0 1.0
   56    71    80    83   0.00000  1.0 1.0
   57    56    71    77   7.00000 -1.0 2.0
   57    56    71    80   7.00000 -1.0 2.0
   77    71    80    81   0.15000  1.0 3.0
   77    71    80    82   0.15000  1.0 3.0
   77    71    80    83   0.15000  1.0 3.0
   80    71    77    78  -0.64400  1.0 1.0
   80    71    77    78   0.26850 -1.0 2.0
   80    71    77    79  -0.07900  1.0 1.0
   80    71    77    79   0.77700 -1.0 2.0
   80    71    77    79   0.13200  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
   36    30    35    37  10.50000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
   48    84    46    42   4.00000 -1.0 2.0
   53    54    48    46   4.00000 -1.0 2.0
   58    59    53    48   4.00000 -1.0 2.0
   72   104    58    53   4.00000 -1.0 2.0
   84    85    72    58   4.00000 -1.0 2.0
   72    91    84    46   4.00000 -1.0 2.0
   72    86    85    93   1.10000 -1.0 2.0
  103    94    93    85   1.10000 -1.0 2.0
   59    74    73    87  15.00000 -1.0 2.0
   95    99    87    73  15.00000 -1.0 2.0
   40    47    44    45  10.50000 -1.0 2.0
   50    57    56    71  15.00000 -1.0 2.0
   77    80    71    56  15.00000 -1.0 2.0
   71    79    77    78  10.50000 -1.0 2.0
END
