* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    204    337     616
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02073    32.93797   160.21171
    3     1 S   H    _H1_     3     1.02105    88.70538   -71.26312
    4     1 S   H    _H2_     4     1.02079    91.79467    37.36951
    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     1.08491   110.62044    58.69465
   26    24 S   HC   HB22    34     1.08584   110.00631   179.14591
   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   _C22    36     1.83791    96.55504  -158.14382
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C13    37     1.53944   115.93204    60.03043
   38    33 S   CT   _C21    65     1.57054   113.83152  -175.94295
   39    33 S   OH   _O34   106     1.43830   104.91309   -59.11653
   40    39 S   HO   _H14   107     0.96726   106.00486    64.32615
   41    37 S   CM   _C12    38     1.35514   128.67951    23.49806
   42    38 S   OH   _O35    66     1.42974   108.92585    53.28301
   43    42 S   HO   _H15    67     0.96509   105.54186   -62.46186
   44    41 S   CA   _C11    39     1.48247   121.49541   167.02241
   45    41 S   OH   _O38   104     1.37710   124.68421    -6.26785
   46    45 S   HO   _H34   105     0.96179   109.86188    -6.18713
   47    44 S   CA   _C6_    40     1.40700   120.59247    14.07789
   48    47 S   CA   _C7_    41     1.40832   119.60063  -179.94065
   49    48 S   HA   _H9_    42     1.08367   121.53895  -178.83568
   50    47 S   CT   _C5_    50     1.51730   119.58255     3.94546
   51    48 S   CA   _C8_    43     1.39314   120.93457     1.06625
   52    51 S   HA   _H10    44     1.08421   120.14449   179.40917
   53    37 S   CT   _C14    51     1.53295   110.97146  -165.97288
   54    53 S   HC   _H3_    52     1.10043   105.38396    44.85225
   55    50 S   CT   _C4_    98     1.54081   108.01770    91.70354
   56    55 S   HC   _H6_    99     1.08490   109.22725   180.00000
   57    55 S   HC   _H7_   100     1.08483   109.20556    59.94000
   58    55 S   HC   _H8_   101     1.08498   109.13662   -60.04324
   59    50 S   OH   _O40   102     1.43208   111.74006  -152.08289
   60    59 S   HO   _H36   103     0.96752   106.10949  -179.95577
   61    51 S   CA   _C9_    45     1.38746   119.69426    -0.52451
   62    61 S   HA   _H11    46     1.08750   119.63296   179.82754
   63    53 S   CT   _C15    53     1.54365   106.64056   -66.42163
   64    63 S   HC   _H12    54     1.10170   109.65066   175.82923
   65    63 S   HC   _H13    55     1.10129   112.40251   -67.42224
   66    44 S   CA   _C10    47     1.40827   120.84051  -164.92874
   67    63 S   CT   _C16    56     1.55756   111.53843    57.76548
   68    67 S   HC   _H4_    57     1.08065   105.17025    65.28373
   69    66 S   OH   _O39    48     1.36731   122.41057    -2.50827
   70    69 S   HO   _H35    49     0.96948   110.01797  -178.27705
   71    67 S   CT   _C17    58     1.54972   110.62629  -179.65908
   72    71 S   HC   _H5_    59     1.12159   105.95188   -45.90869
   73    71 S   CMA  _C18    60     1.53682   113.18302    75.04690
   74    73 S   OM   _O37    61     1.26718   109.95262  -154.20849
   75    71 S   NT   _N6_    89     1.47463   110.40156  -159.28004
   76    73 S   CM   _C19    62     1.35528   119.32645    24.37202
   77    75 S   CT   _C29    90     1.45659   109.89407  -166.65187
   78    77 S   HC   _H28    91     1.09314   110.12310  -179.98022
   79    77 S   HC   _H29    92     1.09315   110.23424    59.93655
   80    77 S   HC   _H30    93     1.09396   110.19296   -59.99335
   81    75 S   CT   _C30    94     1.45747   109.85950    70.82302
   82    81 S   HC   _H31    95     1.09304   110.04381  -179.96044
   83    81 S   HC   _H32    96     1.09318   110.19390    60.01083
   84    81 S   HC   _H33    97     1.09349   110.20699   -60.01614
   85    76 S   CO4  _C20    63     1.50145   123.25845     1.69073
   86    85 S   O    _O33    64     1.23214   118.16588   176.92502
   87    76 S   C    _C23    68     1.48218   117.92358  -178.74758
   88    87 S   O    _O36    69     1.22638   120.69294   -90.15988
   89    87 S   N    _N4_    70     1.38136   112.66986    89.99601
   90    89 S   H    _H16    71     1.01599   118.67207    -0.14402
   91    89 S   CT   _C24    72     1.44375   122.61353   179.83807
   92    91 S   HC   _H17    73     1.09209   109.30654   149.99402
   93    91 S   HC   _H18    74     1.09395   111.24882    26.92166
   94    91 S   NP   _N5_    75     1.49455   109.86787   -92.05394
   95    94 S   H    _H19    76     1.03124   107.34598    58.93682
   96    94 S   CT   _C25    77     1.51312   113.77841   -58.95634
   97    96 S   HC   _H20    78     1.09197   108.75428    87.82829
   98    96 S   HC   _H21    79     1.09456   107.80484   -32.60128
   99    96 S   CT   _C26    80     1.51395   103.34371  -150.86729
  100    99 S   HC   _H22    81     1.09611   110.54736   -78.46149
  101    99 S   HC   _H23    82     1.09342   112.29050   160.47688
  102    99 S   CT   _C27    83     1.51480   102.58504    39.31071
  103   102 S   HC   _H24    84     1.09709   110.12286    76.74266
  104   102 S   HC   _H25    85     1.09351   112.62325  -162.83094
  105    94 S   CT   _C28    86     1.51790   114.38520   177.00370
  106   105 S   HC   _H26    87     1.09370   109.55374     4.05338
  107   105 S   HC   _H27    88     1.09382   107.02953  -115.48364
  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
  19   2   1   1  20  19   6   1  12   8   2  15   4   1  17  10
   4  14   5   3  13   6   6   3   2   1   2   1   4   2   9   4
   3   2  11   5   1   1  15   6  10   4   9   7   7   3   2   1
   3   2   1   1   4   1   7   3   8   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    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    53    67    85    38    42    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    44    50    53    54    63    67    68    71    76    85    86    38    42    43    45    39    40  
   35    36  
   36  
    0  
   41    44    47    66    50    53    54    63    64    65    67    85    38    42    55    59    45    46    39    40  
   42    43    87    75    39    40    41    53    63    64    65    67    68    71    72    73    76    85    86  
   40    41    42    53    67    85  
    0  
   44    47    48    61    66    69    50    53    54    63    45    46  
   43    63    67    68    71    76    85    86  
   67    85  
   47    48    49    51    61    62    66    69    70    50    53    55    59    45    46  
   46    47    53    66  
    0  
   48    49    51    52    61    66    69    50    53    54    63    55    56    57    58    59    60  
   49    51    52    61    62    66    50    53    55    59  
   51    52    61    50  
   53    54    63    64    65    67    55    56    57    58    59    60    51    66  
   52    61    62    66    69  
   61    62    66  
   54    63    64    65    67    68    71    55    56    57    58    59    60  
   63    64    65    67    55    59  
   56    57    58    59    60    63  
   57    58    59  
   58    59  
   59  
   60    63  
    0  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    73    85    75  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    74    76    85    86    75    77    81  
   71    72    73    85    75  
   70  
    0  
   72    73    74    76    85    87    75    77    78    79    80    81    82    83    84  
   73    74    76    75    77    81  
   74    76    85    86    87    88    89    75    77    81  
   76    85    87    75  
   77    78    79    80    81    82    83    84    76  
   85    86    87    88    89    90    91  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
   86    87    88    89  
   87  
   88    89    90    91    92    93    94  
   89    90    91  
   90    91    92    93    94    95    96   105  
   91    92    93    94  
   92    93    94    95    96    97    98    99   102   105   106   107  
   93    94    95    96   105  
   94    95    96   105  
   95    96    97    98    99   100   101   102   103   104   105   106   107  
   96    97    98    99   102   105   106   107  
   97    98    99   100   101   102   103   104   105   106   107  
   98    99   100   101   102   105  
   99   100   101   102   105  
  100   101   102   103   104   105   106   107  
  101   102   103   104   105  
  102   103   104   105  
  103   104   105   106   107  
  104   105   106   107  
  105   106   107  
  106   107  
  107  
    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   0.432500   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   74   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   75   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   76   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   89   3.2500   0.1700  -0.422500   1.8100   1.6000   0.054801302  -1.445846770
   90   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   91   3.5000   0.0660   0.272500   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   95   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   96   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  102   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  105   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
  106   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
  107   2.5000   0.0300   0.060000   1.6450   1.4500   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    38   268.000  1.529
   33    39   320.000  1.410
   37    41   549.000  1.340
   37    53   317.000  1.510
   41    44   320.000  1.460
   41    45   510.000  1.338
   44    47   469.000  1.400
   44    66   469.000  1.400
   47    48   469.000  1.400
   47    50   317.000  1.510
   48    49   367.000  1.080
   48    51   469.000  1.400
   51    52   367.000  1.080
   51    61   469.000  1.400
   61    62   367.000  1.080
   61    66   469.000  1.400
   66    69   450.000  1.364
   69    70   553.000  0.945
   50    53   268.000  1.529
   50    55   268.000  1.529
   50    59   320.000  1.410
   53    54   340.000  1.090
   53    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    38   268.000  1.529
   71    72   340.000  1.090
   71    73   270.000  1.512
   71    75   382.000  1.448
   73    74   745.000  1.250
   73    76   465.000  1.376
   76    85   320.000  1.462
   76    87   410.000  1.444
   85    86   570.000  1.229
   85    38   317.000  1.522
   38    42   320.000  1.410
   42    43   553.000  0.945
   87    88   570.000  1.229
   87    89   490.000  1.335
   89    90   434.000  1.010
   89    91   337.000  1.449
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   367.000  1.471
   94    95   434.000  1.010
   94    96   367.000  1.471
   94   105   367.000  1.471
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   268.000  1.529
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
   75    77   382.000  1.448
   75    81   382.000  1.448
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   553.000  0.945
   45    46   553.000  0.945
   39    40   553.000  0.945
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    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    41    70.00000  124.00000
   33    37    53    65.00000  117.92700
   33    38    67    58.35000  112.70000
   33    38    85    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    39    40    55.00000  108.50000
   37    41    44    60.00000  123.20500
   37    41    45    80.00000  121.38400
   37    53    50    70.00000  112.02700
   37    53    54    35.00000  109.50000
   37    53    63    70.00000  112.02700
   41    44    47    60.00000  120.93500
   41    44    66    60.00000  120.93500
   41    45    46    70.00000  107.45700
   44    47    48    63.00000  120.00000
   44    47    50    70.00000  120.00000
   44    66    61    63.00000  120.00000
   44    66    69    70.00000  120.00000
   47    48    49    35.00000  120.00000
   47    48    51    63.00000  120.00000
   47    50    53    70.00000  112.17500
   47    50    55    70.00000  112.17500
   47    50    59    90.00000  112.51600
   48    51    52    35.00000  120.00000
   48    51    61    63.00000  120.00000
   51    48    49    35.00000  120.00000
   51    61    62    35.00000  120.00000
   51    61    66    63.00000  120.00000
   61    51    52    35.00000  120.00000
   61    66    69    70.00000  120.00000
   66    44    47    63.00000  120.00000
   66    61    62    35.00000  120.00000
   66    69    70    35.00000  113.00000
   50    47    48    70.00000  120.00000
   50    53    54    37.50000  110.70000
   50    53    63    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   50    55    58    37.50000  110.70000
   50    59    60    55.00000  108.50000
   53    37    41    70.00000  124.00000
   53    63    64    37.50000  110.70000
   53    63    65    37.50000  110.70000
   53    63    67    58.35000  112.70000
   63    53    54    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    38    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    70.00000  112.02700
   67    71    75    56.20000  109.47000
   67    38    85    63.00000  111.10000
   67    38    42    50.00000  109.50000
   71    67    68    37.50000  110.70000
   71    73    74    85.00000  112.85300
   71    73    76    65.00000  122.18000
   71    75    77    51.80000  107.20000
   71    75    81    51.80000  107.20000
   73    71    72    45.00000  110.52000
   73    76    85    60.00000  125.92000
   73    76    87    60.00000  120.04000
   76    73    74    65.00000  137.10300
   76    85    86    80.00000  123.72100
   76    85    38    65.00000  118.62400
   76    87    88    80.00000  125.30000
   76    87    89    80.00000  111.56200
   85    38    42    90.00000  109.61100
   38    33    37    70.00000  112.02700
   38    67    68    37.50000  110.70000
   38    67    71    58.35000  112.70000
   38    85    86    80.00000  120.40000
   38    42    43    55.00000  108.50000
   87    76    85    55.00000  123.68000
   87    89    90    35.00000  119.80000
   87    89    91    50.00000  121.90000
   89    87    88    80.00000  122.90000
   89    91    92    35.00000  109.50000
   89    91    93    35.00000  109.50000
   89    91    94    80.00000  116.76000
   91    89    90    38.00000  118.40000
   91    94    95    35.00000  109.50000
   91    94    96    75.00000  113.01200
   91    94   105    75.00000  113.01200
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    80.00000  111.20000
   94   105   102    80.00000  111.20000
   94   105   106    35.00000  109.50000
   94   105   107    35.00000  109.50000
   96    94    95    35.00000  109.50000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    58.35000  112.70000
   98    96    97    33.00000  107.80000
   99    96    97    37.50000  110.70000
   99    96    98    37.50000  110.70000
   99   102   103    37.50000  110.70000
   99   102   104    37.50000  110.70000
   99   102   105    58.35000  112.70000
  101    99   100    33.00000  107.80000
  102    99   100    37.50000  110.70000
  102    99   101    37.50000  110.70000
  102   105   106    37.50000  110.70000
  102   105   107    37.50000  110.70000
  104   102   103    33.00000  107.80000
  105    94    95    35.00000  109.50000
  105    94    96    75.00000  113.01200
  105   102   103    37.50000  110.70000
  105   102   104    37.50000  110.70000
  107   105   106    33.00000  107.80000
   75    71    72    35.00000  109.50000
   75    71    73    75.00000  110.70900
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   75    81    82    35.00000  109.50000
   75    81    83    35.00000  109.50000
   75    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    75    77    51.80000  107.20000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   55    50    53    58.35000  112.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    50    53    50.00000  109.50000
   59    50    55    50.00000  109.50000
   45    41    44    85.00000  114.86500
   39    33    37    90.00000  110.39200
   39    33    38    50.00000  109.50000
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
   20    22    27    30   1.15000  1.0 1.0
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   75    71    73    74   0.15600 -1.0 2.0
   75    71    73    74  -0.50800  1.0 3.0
   75    71    73    76   0.90200  1.0 1.0
   75    71    73    76   0.57900 -1.0 2.0
   75    71    73    76  -0.62100  1.0 3.0
   77    75    81    82   0.28000  1.0 3.0
   77    75    81    83   0.28000  1.0 3.0
   77    75    81    84   0.28000  1.0 3.0
   81    75    77    78   0.28000  1.0 3.0
   81    75    77    79   0.28000  1.0 3.0
   81    75    77    80   0.28000  1.0 3.0
   55    50    53    37   0.34400  1.0 1.0
   55    50    53    37   0.09450 -1.0 2.0
   55    50    53    37   0.11100  1.0 3.0
   55    50    53    54   0.15000  1.0 3.0
   55    50    53    63   0.56750  1.0 1.0
   55    50    53    63  -0.07550 -1.0 2.0
   55    50    53    63   0.20000  1.0 3.0
   55    50    59    60  -0.11600  1.0 1.0
   55    50    59    60  -0.09450 -1.0 2.0
   55    50    59    60   0.21250  1.0 3.0
   59    50    53    37   1.05650  1.0 1.0
   59    50    53    37   0.15600 -1.0 2.0
   59    50    53    37   0.53150  1.0 3.0
   59    50    53    54   0.23400  1.0 3.0
   59    50    53    63   0.86500  1.0 1.0
   59    50    53    63  -0.17500 -1.0 2.0
   59    50    53    63   0.20800  1.0 3.0
   59    50    55    56   0.23400  1.0 3.0
   59    50    55    57   0.23400  1.0 3.0
   59    50    55    58   0.23400  1.0 3.0
   45    41    44    47  -0.01750  1.0 1.0
   45    41    44    47  -0.32000 -1.0 2.0
   45    41    44    47   0.00600  1.0 3.0
   45    41    44    66  -0.01750  1.0 1.0
   45    41    44    66  -0.32000 -1.0 2.0
   45    41    44    66   0.00600  1.0 3.0
   39    33    37    41   0.67800  1.0 1.0
   39    33    37    41   0.47050 -1.0 2.0
   39    33    37    41  -0.62500  1.0 3.0
   39    33    37    53   0.18000  1.0 1.0
   39    33    37    53   0.16450 -1.0 2.0
   39    33    37    53   0.04450  1.0 3.0
   39    33    38    67   0.86500  1.0 1.0
   39    33    38    67  -0.17500 -1.0 2.0
   39    33    38    67   0.20800  1.0 3.0
   39    33    38    85  -0.09450  1.0 1.0
   39    33    38    85  -1.12950 -1.0 2.0
   39    33    38    85   0.54000  1.0 3.0
   39    33    38    42   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    53    37    41   1.10000 -1.0 2.0
   44    45    41    37   1.10000 -1.0 2.0
   47    66    44    41   4.00000 -1.0 2.0
   48    50    47    44   4.00000 -1.0 2.0
   51    49    48    47   1.10000 -1.0 2.0
   61    52    51    48   1.10000 -1.0 2.0
   66    62    61    51   1.10000 -1.0 2.0
   61    69    66    44   4.00000 -1.0 2.0
   71    74    73    76   1.10000 -1.0 2.0
   85    87    76    73   1.10000 -1.0 2.0
   76    38    85    86  10.50000 -1.0 2.0
   76    89    87    88  10.50000 -1.0 2.0
   90    87    89    91   1.00000 -1.0 2.0
END
