* LIGAND DATABASE FILE (OPLS2005)
*
001     100   104    190    319     582
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   106.63641   -14.06884
    3     1 S   H    _H1_     3     1.02131    55.92923    87.54876
    4     1 S   H    _H2_     4     1.02149    56.17137  -115.77965
    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   _C26    36     1.86958    96.54658  -178.12884
   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   CO4  _C27    37     1.55216   101.53970    59.98263
   38    37 S   O    _O36    38     1.23098   121.80215    70.27275
   39    33 S   CM   _C17    48     1.53916   105.90278   -58.66676
   40    37 S   CA   _C13    39     1.47873   120.09711  -107.49964
   41    39 S   CT   _C18    49     1.52731   116.03999   -78.23100
   42    41 S   HC   _H7_    50     1.09344   112.19975  -168.99293
   43    40 S   CA   _C12    40     1.40510   118.75908   177.12519
   44    43 S   HA   _H14    41     1.08644   121.38359     0.48859
   45    41 S   CT   _C19    51     1.52585   112.12597   -51.03103
   46    45 S   HC   _H16    52     1.09824   109.93308   174.01097
   47    45 S   HC   _H17    53     1.10022   108.25827   -71.68068
   48    41 S   OH   _O40    75     1.42296   111.45947    72.75985
   49    48 S   HO   _H28    76     0.97040   106.73070   179.98022
   50    43 S   CA   _C11    42     1.39251   120.30249  -179.40455
   51    50 S   HA   _H13    43     1.08650   119.54846   179.91377
   52    45 S   CT   _C20    54     1.53784   115.13119    50.29599
   53    50 S   CA   _C10    44     1.38812   119.66725     0.00000
   54    52 S   CT   _C21    55     1.54296   112.35506    79.55121
   55    54 S   HC   _H18    56     1.09011   111.43080   -58.56654
   56    54 S   HC   _H19    57     1.09929   108.07715    57.87215
   57    52 S   OH   _O39    73     1.44547   105.07959  -166.27180
   58    57 S   HO   _H27    74     0.96384   105.36345   -60.02479
   59    53 S   CA   _C15    45     1.39651   119.92642    -0.09891
   60    54 S   CT   _C22    58     1.54127   113.31771   177.42991
   61    53 S   CT   _C9_    81     1.51212   118.89137   179.92867
   62    61 S   HC   _H6_    82     1.10866   107.23603   150.02397
   63    40 S   CA   _C14    46     1.39492   120.40114    -2.39237
   64    60 S   CT   _C23    59     1.53069   112.67815    49.69996
   65    64 S   HC   _H20    60     1.09849   109.52465  -163.47532
   66    64 S   HC   _H21    61     1.09204   111.78307    78.30970
   67    60 S   CT   _C28    67     1.53291   109.81754   172.85762
   68    67 S   HC   _H23    68     1.08725   109.55241    55.33355
   69    67 S   HC   _H24    69     1.08707   109.62027   -64.62339
   70    67 S   HC   _H25    70     1.08727   109.57295   175.33625
   71    60 S   OH   _O38    71     1.43204   108.65050   -70.57240
   72    71 S   HO   _H26    72     0.96759   106.19798  -177.18666
   73    59 S   OH   _O34    79     1.36893   116.15351   179.90721
   74    73 S   HO   _H15    80     0.96728   109.84388  -179.86730
   75    61 S   CT   _C8_    83     1.53033   111.47110   -89.00698
   76    75 S   HC   _H11    84     1.09785   111.18695   -59.93748
   77    75 S   HC   _H12    85     1.09913   110.27198    57.06905
   78    63 S   CM   _C16    47     1.47158   121.05439    -1.30791
   79    64 S   CO4  _C24    62     1.51813   113.12223   -44.06150
   80    79 S   O    _O35    63     1.23468   119.59695  -134.96226
   81    75 S   CT   _C7_    86     1.52611   110.53090   177.41790
   82    81 S   HC   _H5_    87     1.09614   110.36061    70.50848
   83    33 S   CT   _C25    64     1.58063   116.59250   178.71854
   84    78 S   OH   _O41    77     1.38201   113.82433  -178.59653
   85    84 S   HO   _H29    78     0.96171   109.71451  -180.00000
   86    81 S   CT   _C6_    88     1.52993   110.79747   -51.77426
   87    86 S   HC   _H4_    89     1.09755   108.91399   -71.35224
   88    81 S   OH   _O42    99     1.42588   109.31255  -171.84469
   89    88 S   HO   _H30   100     0.96970   106.57196   -60.01996
   90    83 S   OH   _O37    65     1.44843   106.15031  -170.18907
   91    90 S   HO   _H22    66     0.96408   105.17850    63.48144
   92    86 S   CT   _C5_    90     1.53460   110.71139    50.73458
   93    92 S   HC   _H3_    91     1.09812   110.28479    66.05325
   94    86 S   OH   _O43    97     1.42497   108.15483   171.73020
   95    94 S   HO   _H31    98     0.96945   106.56078   -59.93070
   96    61 S   OS   _O33    92     1.43202   108.90441    32.52016
   97    92 S   CT   _C4_    93     1.52498   112.16117  -173.99462
   98    97 S   HC   _H8_    94     1.08933   109.91582    58.52600
   99    97 S   HC   _H9_    95     1.08977   109.92480   -61.49519
  100    97 S   HC   _H10    96     1.09009   109.91463   178.51668
  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  11   5   4   3
  21   2   1   1  14   5  17  11  13   7   8   4  15   6   5   3
   1   9   3  14  13  17   7   6   5   1   9  12  14   6   5  12
   6   5   6   3   2   1   2   1   2   1  11   6   5   3   4   2
  11   6   2   1   1  12   7   3   1   1   1   8   6   3   1   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    39    83    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    78    39    41    52    79    83    90  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    43    63    78    39    41    42    45    52    54    64    79    80    83    90    91    57    48    84  
   35    36  
   36  
    0  
   38    40    43    44    50    59    63    78    39    41    52    79    83    90  
   40    43    63    39    83  
   41    42    45    46    47    52    79    83    90    48    49    84    85    40    59    63    78  
   43    44    50    51    53    59    63    78    83    84    73  
   42    45    46    47    52    54    83    57    48    49    84    63    78  
   45    46    47    52    48    49    78  
   44    50    51    53    59    63    78    61  
   50    51    53    63  
   46    47    52    54    55    56    60    79    83    90    57    58    48    49    78  
   47    52    54    83    57    48  
   52    54    83    57    48  
   49    52    78  
    0  
   51    53    59    63    73    61    62    75    96  
   53    59    61  
   54    55    56    60    64    79    80    83    90    91    67    71    57    58  
   59    63    78    73    74    61    62    75    76    77    81    92    96  
   55    56    60    64    65    66    79    83    90    67    68    69    70    71    72    57    58  
   56    60    64    83    67    71    57  
   60    64    83    67    71    57  
   58    60    79    83    90  
   83  
   63    78    84    73    74    61    62    75    96  
   64    65    66    79    80    83    67    68    69    70    71    72  
   62    75    76    77    81    82    86    92    93    96    97    88    63    73  
   75    76    77    81    92    96  
   78    84    85    73    74  
   65    66    79    80    83    90    67    68    69    70    71    72  
   66    79    80    83    67    71  
   79    80    83    67    71  
   68    69    70    71    72    79  
   69    70    71  
   70    71  
   71  
   72    79  
    0  
   74    78  
    0  
   76    77    81    82    86    87    92    96    94    88    89  
   77    81    82    86    96    88  
   81    82    86    96    88  
   83    84    85  
   80    83    90    91  
   83    90  
   82    86    87    92    93    96    97    94    95    88    89  
   86    87    92    94    88    89  
   90    91  
   85  
    0  
   87    92    93    96    97    98    99   100    94    95    88    89  
   92    93    96    97    94    95    88  
   89    92    94  
    0  
   91  
    0  
   93    96    97    98    99   100    94    95  
   96    97    98    99   100    94  
   95    96    97  
    0  
   97    98    99   100  
   98    99   100  
   99   100  
  100  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   79   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   80   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   81   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   85   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   95   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   96   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   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  1.522
   33    39   317.000  1.510
   33    83   268.000  1.529
   37    38   570.000  1.229
   37    40   310.000  1.470
   40    43   469.000  1.400
   40    63   469.000  1.400
   43    44   367.000  1.080
   43    50   469.000  1.400
   50    51   367.000  1.080
   50    53   469.000  1.400
   53    59   469.000  1.400
   53    61   317.000  1.510
   59    63   469.000  1.400
   59    73   450.000  1.364
   63    78   320.000  1.460
   78    39   549.000  1.340
   78    84   510.000  1.338
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    48   320.000  1.410
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   268.000  1.529
   52    54   268.000  1.529
   52    83   268.000  1.529
   52    57   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    60   268.000  1.529
   60    64   268.000  1.529
   60    67   268.000  1.529
   60    71   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    79   317.000  1.522
   79    80   570.000  1.229
   79    83   317.000  1.522
   83    90   320.000  1.410
   90    91   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   553.000  0.945
   57    58   553.000  0.945
   48    49   553.000  0.945
   84    85   553.000  0.945
   73    74   553.000  0.945
   61    62   340.000  1.090
   61    75   268.000  1.529
   61    96   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    86   268.000  1.529
   81    88   320.000  1.410
   86    87   340.000  1.090
   86    92   268.000  1.529
   86    94   320.000  1.410
   92    93   340.000  1.090
   92    96   320.000  1.410
   92    97   268.000  1.529
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   94    95   553.000  0.945
   88    89   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  110.18000
   29    33    39    75.00000  112.20000
   29    33    83    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  115.47100
   33    39    78    70.00000  124.00000
   33    39    41    65.00000  117.92700
   33    83    52    58.35000  112.70000
   33    83    79    63.00000  111.10000
   33    83    90    50.00000  109.50000
   37    40    43    60.00000  119.52600
   37    40    63    60.00000  119.52600
   40    37    38    75.00000  123.78400
   40    43    44    35.00000  120.00000
   40    43    50    63.00000  120.00000
   40    63    59    63.00000  120.00000
   40    63    78    60.00000  120.93500
   43    50    51    35.00000  120.00000
   43    50    53    63.00000  120.00000
   50    43    44    35.00000  120.00000
   50    53    59    63.00000  120.00000
   50    53    61    70.00000  120.00000
   53    50    51    35.00000  120.00000
   53    59    63    63.00000  120.00000
   53    59    73    70.00000  120.00000
   53    61    62    35.00000  109.50000
   53    61    75    70.00000  112.17500
   53    61    96    85.00000  111.85700
   59    63    78    60.00000  120.93500
   59    73    74    35.00000  113.00000
   63    40    43    63.00000  120.00000
   63    78    39    60.00000  123.20500
   63    78    84    85.00000  114.86500
   78    39    41    70.00000  124.00000
   78    84    85    70.00000  107.45700
   39    33    37    70.00000  109.06800
   39    41    42    35.00000  109.50000
   39    41    45    70.00000  112.02700
   39    41    48    90.00000  110.39200
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    52    58.35000  112.70000
   41    48    49    55.00000  108.50000
   45    41    42    37.50000  110.70000
   45    52    54    58.35000  112.70000
   45    52    83    58.35000  112.70000
   45    52    57    50.00000  109.50000
   47    45    46    33.00000  107.80000
   52    45    46    37.50000  110.70000
   52    45    47    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    60    58.35000  112.70000
   52    83    79    63.00000  111.10000
   52    83    90    50.00000  109.50000
   52    57    58    55.00000  108.50000
   54    60    64    58.35000  112.70000
   54    60    67    58.35000  112.70000
   54    60    71    50.00000  109.50000
   56    54    55    33.00000  107.80000
   60    54    55    37.50000  110.70000
   60    54    56    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    79    63.00000  111.10000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    37.50000  110.70000
   60    71    72    55.00000  108.50000
   64    79    80    80.00000  120.40000
   64    79    83    70.00000  116.00000
   66    64    65    33.00000  107.80000
   79    64    65    35.00000  109.50000
   79    64    66    35.00000  109.50000
   79    83    90    90.00000  109.61100
   83    33    37    63.00000  111.10000
   83    33    39    70.00000  112.02700
   83    52    54    58.35000  112.70000
   83    79    80    80.00000  120.40000
   83    90    91    55.00000  108.50000
   67    60    64    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
   71    60    64    50.00000  109.50000
   71    60    67    50.00000  109.50000
   57    52    54    50.00000  109.50000
   57    52    83    50.00000  109.50000
   48    41    42    35.00000  109.50000
   48    41    45    50.00000  109.50000
   84    78    39    80.00000  121.38400
   73    59    63    70.00000  120.00000
   61    53    59    70.00000  120.00000
   61    75    76    37.50000  110.70000
   61    75    77    37.50000  110.70000
   61    75    81    58.35000  112.70000
   61    96    92    60.00000  109.50000
   75    61    62    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    86    58.35000  112.70000
   75    81    88    50.00000  109.50000
   77    75    76    33.00000  107.80000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    86    87    37.50000  110.70000
   81    86    92    58.35000  112.70000
   81    86    94    50.00000  109.50000
   81    88    89    55.00000  108.50000
   86    81    82    37.50000  110.70000
   86    92    93    37.50000  110.70000
   86    92    96    50.00000  109.50000
   86    92    97    58.35000  112.70000
   86    94    95    55.00000  108.50000
   92    86    87    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   96    61    62    35.00000  109.50000
   96    61    75    50.00000  109.50000
   96    92    93    35.00000  109.50000
   97    92    93    37.50000  110.70000
   97    92    96    50.00000  109.50000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   94    86    87    35.00000  109.50000
   94    86    92    50.00000  109.50000
   88    81    82    35.00000  109.50000
   88    81    86    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
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    83   0.01700  1.0 1.0
   24    29    33    83  -0.23550 -1.0 2.0
   24    29    33    83   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
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   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   96    61    75    76   0.23400  1.0 3.0
   96    61    75    77   0.23400  1.0 3.0
   96    61   -75    81   0.62750  1.0 1.0
   96    61   -75    81  -0.30950 -1.0 2.0
   96    61   -75    81   0.27300  1.0 3.0
   96    92    97    98   0.23400  1.0 3.0
   96    92    97    99   0.23400  1.0 3.0
   96    92    97   100   0.23400  1.0 3.0
   97    92    96    61   0.06250  1.0 1.0
   97    92    96    61  -0.01100 -1.0 2.0
   97    92    96    61   0.28050  1.0 3.0
   94    86    92    93   0.23400  1.0 3.0
   94    86    92    96   3.69350  1.0 1.0
   94    86    92    96  -1.82950 -1.0 2.0
   94    86    92    97   0.86500  1.0 1.0
   94    86    92    97  -0.17500 -1.0 2.0
   94    86    92    97   0.20800  1.0 3.0
   88    81    86    87   0.23400  1.0 3.0
   88    81    86    92   0.86500  1.0 1.0
   88    81    86    92  -0.17500 -1.0 2.0
   88    81    86    92   0.20800  1.0 3.0
   88    81    86    94   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    40    37    38  10.50000 -1.0 2.0
   43    63    40    37   4.00000 -1.0 2.0
   50    44    43    40   1.10000 -1.0 2.0
   53    51    50    43   1.10000 -1.0 2.0
   59    61    53    50   4.00000 -1.0 2.0
   63    73    59    53   4.00000 -1.0 2.0
   59    78    63    40   4.00000 -1.0 2.0
   63    84    78    39   1.10000 -1.0 2.0
   33    41    39    78   1.10000 -1.0 2.0
   64    83    79    80  10.50000 -1.0 2.0
END
