* LIGAND DATABASE FILE (OPLS2005)
*
001     112   115    227    369     690
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02066    85.78753    46.91312
    3     1 S   H    _H1_     3     1.02139    33.57500  -179.33677
    4     1 S   H    _H2_     4     1.02105    94.34677   -61.58865
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    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     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C31    36     1.83766    97.65952  -180.00000
   34    33 S   HC   _H3_    37     1.09460   105.32127  -178.18781
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   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   _C27    38     1.54655   110.98862   -60.03019
   39    38 S   HC   _H72    39     1.09512   108.43951    64.26432
   40    38 S   HC   _H73    40     1.09833   109.12964   179.38962
   41    33 S   CT   _C28    57     1.55637   109.40247    66.91016
   42    41 S   HC   _H74    58     1.09988   107.97260   -70.28080
   43    38 S   CT   _C30    41     1.55288   116.19701   -57.59949
   44    43 S   HC   _H76    42     1.09742   108.38117    59.59600
   45    41 S   CT   _C17    59     1.53144   111.16051   173.64532
   46    45 S   HC   _H52    60     1.09754   106.46215    55.20561
   47    41 S   CT   _C23   109     1.53486   114.50334    49.15120
   48    47 S   HC   _H60   110     1.09461   111.66005    60.19009
   49    47 S   HC   _H61   111     1.09553   110.18813   179.31329
   50    47 S   HC   _H62   112     1.09247   112.00902   -61.47829
   51    43 S   CT   _C26    43     1.53415   111.22941   -57.91115
   52    51 S   HC   _H69    44     1.09480   111.54710   -61.76422
   53    51 S   HC   _H70    45     1.09382   111.08006   178.15411
   54    51 S   HC   _H71    46     1.09335   111.70189    59.44045
   55    43 S   CT   _C29    47     1.55919   110.15024   175.70869
   56    55 S   HC   _H75    48     1.09855   107.32881   -38.54269
   57    45 S   CT   _C8_    61     1.55315   110.00096   -62.82812
   58    57 S   HC   _H38    62     1.09634   110.33381   130.85812
   59    57 S   HC   _H39    63     1.09587   112.18875    11.88092
   60    55 S   CT   _C24    49     1.53133   114.16653  -157.26789
   61    60 S   HC   _H63    50     1.09599   110.40465   -61.25864
   62    60 S   HC   _H64    51     1.09401   111.80173    58.24397
   63    60 S   HC   _H65    52     1.09419   111.56590   179.81977
   64    55 S   CT   _C25    53     1.53353   111.81020    77.70426
   65    64 S   HC   _H66    54     1.09543   110.41686    63.15591
   66    64 S   HC   _H67    55     1.09528   110.97948  -177.71450
   67    64 S   HC   _H68    56     1.09408   112.02555   -56.50170
   68    57 S   CT   _C6_    64     1.53662   107.35921  -109.83470
   69    68 S   HC   _H34    65     1.09465   111.43728   132.03965
   70    68 S   HC   _H35    66     1.09470   109.66279  -109.06529
   71    68 S   CT   _C15    67     1.52218   104.18158    11.39529
   72    71 S   HC   _H50    68     1.10256   105.27424    76.95609
   73    71 S   CT   _C14    69     1.53732   119.28829  -166.89472
   74    73 S   HC   _H49    70     1.09954   103.71651   -90.01685
   75    73 S   CT   _C5_    71     1.53836   117.07963    27.35678
   76    75 S   HC   _H32    72     1.09509   110.98410    56.82866
   77    75 S   HC   _H33    73     1.09470   110.39635   -64.46565
   78    73 S   CT   _C16    90     1.55144   112.01904   153.90478
   79    78 S   HC   _H51    91     1.09577   105.97573   -81.92097
   80    75 S   CO4  _C4_    74     1.52717   110.33432   176.40544
   81    80 S   O    _O29    75     1.22898   121.54357  -170.43672
   82    78 S   CT   _C7_    92     1.53352   111.29532    31.26209
   83    82 S   HC   _H36    93     1.09621   110.75700   177.95503
   84    82 S   HC   _H37    94     1.09722   109.31956    60.65992
   85    80 S   CT   _C13    76     1.52159   115.48867    11.89017
   86    85 S   HC   _H48    77     1.09996   103.69052    56.75184
   87    82 S   CT   _C10    95     1.54852   113.09039   -60.39529
   88    87 S   HC   _H42    96     1.09338   106.63448   153.01864
   89    87 S   HC   _H43    97     1.09782   108.59707   -94.35579
   90    85 S   CT   _C12    78     1.52491   116.16785   170.05588
   91    90 S   HC   _H46    79     1.09782   110.34119   -50.51468
   92    90 S   HC   _H47    80     1.09614   112.20788    65.66190
   93    45 S   CT   _C20    98     1.56272   116.43748   179.17813
   94    90 S   CT   _C18    81     1.53304   109.33965  -170.52408
   95    94 S   HC   _H53    82     1.09742   108.82863    70.12129
   96    93 S   CT   _C22    99     1.55417   106.34972  -155.74221
   97    96 S   HC   _H57   100     1.07969   108.53515   -52.62218
   98    96 S   HC   _H58   101     1.08015   108.50867  -172.58942
   99    96 S   HC   _H59   102     1.08054   108.50409    67.40107
  100    94 S   CT   _C9_    83     1.53319   113.31264   -50.98283
  101   100 S   HC   _H40    84     1.09723   109.59619   -76.85030
  102   100 S   HC   _H41    85     1.09814   108.98784   169.36947
  103    94 S   OH   _O30   107     1.42398   108.66656  -173.25753
  104   103 S   HO   _H78   108     0.96988   106.58178  -175.54447
  105   100 S   CT   _C11    86     1.53699   113.93403    47.07528
  106   105 S   HC   _H44    87     1.09751   108.58996    71.25278
  107   105 S   HC   _H45    88     1.09546   108.20130  -173.33532
  108    85 S   CT   _C19    89     1.55908   110.35721   -59.89514
  109   108 S   CT   _C21   103     1.55434   111.66749   -75.67236
  110   109 S   HC   _H54   104     1.07979   108.43773    63.29994
  111   109 S   HC   _H55   105     1.07949   108.45556   -56.72531
  112   109 S   HC   _H56   106     1.07965   108.46236  -176.70402
  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
  18   8   2   1   1  16   6   5  16   8  15   8  23   9   5   2
   1   1   7   3   2   1   9   8  11   6   5   7   3   2   1   3
   2   1   1  11   5   4  19   7  18   9  12   5   4  21   8  10
   4  11   6   5  16   7   8   3   2  12   6   5   4  10   6   3
   2   1   1   9   6   5   2   1   7   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    41    42    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    51    55    41    42    45    46    57    93    47    48    49    50  
   38    39    40    43    41    42    45    47  
   36    37  
   37  
    0  
   39    40    43    44    51    52    53    54    55    56    60    64    41    42    45    47  
   40    43    44    51    55    41  
   43    44    51    55    41  
   42    45    46    57    58    59    68    71    87    93    96    47    48    49    50    43  
   45    46    57    93    47    48    49    50  
   44    51    52    53    54    55    56    60    61    62    63    64    65    66    67  
   51    52    53    54    55    56    60    64  
   46    57    58    59    68    69    70    71    72    73    82    87    88    89    93    96    97    98    99    47    48    49    50  
   57    58    59    68    71    87    93    96    47  
   48    49    50    57    93  
   49    50  
   50  
    0  
   52    53    54    55    56    60    64  
   53    54    55  
   54    55  
   55  
   56    60    61    62    63    64    65    66    67  
   60    61    62    63    64    65    66    67  
   58    59    68    69    70    71    72    73    87    93    96  
   59    68    69    70    71    93  
   68    69    70    71    93  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    78    87    93    96  
   70    71    72    73    93  
   71    72    73    93  
   72    73    74    75    76    77    80   108    78    79    82    87    88    89    93    96    97    98    99  
   73    74    75    78    87    93    96  
   74    75    76    77    80    81    85   105   108    78    79    82    83    84    87    93    96   109  
   75    76    77    80   108    78    79    82    93  
   76    77    80    81    85    86    90   108    78    79    82    93  
   77    80    81    85    78  
   80    81    85    78  
   79    82    83    84    87    88    89    93   109   110   111   112    80    85    86    90   100   105   106   107   108  
   82    83    84    87   109    85   105   108  
   81    85    86    90    91    92    94   105   108   109  
   85    86    90   108  
   83    84    87    88    89    93    96   109    85   105   108  
   84    87    88    89    93   108  
   87    88    89    93   108  
   86    90    91    92    94    95   100   105   106   107   108   109   110   111   112   103  
   90    91    92    94   105   108   109  
   88    89    93    96    97    98    99   108  
   89    93    96  
   93    96  
   91    92    94    95   100   101   102   105   108   109   103   104  
   92    94    95   100   108   103  
   94    95   100   108   103  
   96    97    98    99  
   95   100   101   102   105   106   107   108   103   104  
  100   101   102   105   103   104  
   97    98    99  
   98    99  
   99  
    0  
  101   102   105   106   107   108   109   103   104  
  102   105   106   107   108   103  
  105   106   107   108   103  
  104   105  
    0  
  106   107   108   109   110   111   112  
  107   108   109  
  108   109  
  109   110   111   112  
  110   111   112  
  111   112  
  112  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   94   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  104   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  105   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   43    55   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   55    56   340.000  1.090
   55    60   268.000  1.529
   55    64   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   41    42   340.000  1.090
   41    45   268.000  1.529
   41    47   268.000  1.529
   45    46   340.000  1.090
   45    57   268.000  1.529
   45    93   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    93   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    78   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   317.000  1.522
   80    81   570.000  1.229
   80    85   317.000  1.522
   85    86   340.000  1.090
   85    90   268.000  1.529
   85   108   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    94   268.000  1.529
   94    95   340.000  1.090
   94   100   268.000  1.529
   94   103   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   105   268.000  1.529
  105   106   340.000  1.090
  105   107   340.000  1.090
  105   108   268.000  1.529
  108    78   268.000  1.529
  108   109   268.000  1.529
   78    79   340.000  1.090
   78    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    87   268.000  1.529
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    93   268.000  1.529
   93    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
  109   110   340.000  1.090
  109   111   340.000  1.090
  109   112   340.000  1.090
  103   104   553.000  0.945
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   33    41    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    51    58.35000  112.70000
   38    43    55    58.35000  112.70000
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    51    52    37.50000  110.70000
   43    51    53    37.50000  110.70000
   43    51    54    37.50000  110.70000
   43    55    56    37.50000  110.70000
   43    55    60    58.35000  112.70000
   43    55    64    58.35000  112.70000
   51    43    44    37.50000  110.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   55    43    44    37.50000  110.70000
   55    43    51    58.35000  112.70000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    63    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    67    37.50000  110.70000
   60    55    56    37.50000  110.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    45    46    37.50000  110.70000
   41    45    57    58.35000  112.70000
   41    45    93    58.35000  112.70000
   41    47    48    37.50000  110.70000
   41    47    49    37.50000  110.70000
   41    47    50    37.50000  110.70000
   45    41    42    37.50000  110.70000
   45    57    58    37.50000  110.70000
   45    57    59    37.50000  110.70000
   45    57    68    58.35000  112.70000
   45    93    71    58.35000  112.70000
   45    93    87    58.35000  112.70000
   45    93    96    58.35000  112.70000
   57    45    46    37.50000  110.70000
   57    68    69    37.50000  110.70000
   57    68    70    37.50000  110.70000
   57    68    71    58.35000  112.70000
   59    57    58    33.00000  107.80000
   68    57    58    37.50000  110.70000
   68    57    59    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    58.35000  112.70000
   68    71    93    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    73    74    37.50000  110.70000
   71    73    75    58.35000  112.70000
   71    73    78    58.35000  112.70000
   71    93    87    58.35000  112.70000
   71    93    96    58.35000  112.70000
   73    71    72    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    77    37.50000  110.70000
   73    75    80    63.00000  111.10000
   73    78   108    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    82    58.35000  112.70000
   75    73    74    37.50000  110.70000
   75    80    81    80.00000  120.40000
   75    80    85    70.00000  116.00000
   77    75    76    33.00000  107.80000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    85    86    35.00000  109.50000
   80    85    90    63.00000  111.10000
   80    85   108    63.00000  111.10000
   85    80    81    80.00000  120.40000
   85    90    91    37.50000  110.70000
   85    90    92    37.50000  110.70000
   85    90    94    58.35000  112.70000
   85   108   105    58.35000  112.70000
   85   108    78    58.35000  112.70000
   85   108   109    58.35000  112.70000
   90    85    86    37.50000  110.70000
   90    94    95    37.50000  110.70000
   90    94   100    58.35000  112.70000
   90    94   103    50.00000  109.50000
   92    90    91    33.00000  107.80000
   94    90    91    37.50000  110.70000
   94    90    92    37.50000  110.70000
   94   100   101    37.50000  110.70000
   94   100   102    37.50000  110.70000
   94   100   105    58.35000  112.70000
   94   103   104    55.00000  108.50000
  100    94    95    37.50000  110.70000
  100   105   106    37.50000  110.70000
  100   105   107    37.50000  110.70000
  100   105   108    58.35000  112.70000
  102   100   101    33.00000  107.80000
  105   100   101    37.50000  110.70000
  105   100   102    37.50000  110.70000
  105   108    78    58.35000  112.70000
  105   108   109    58.35000  112.70000
  107   105   106    33.00000  107.80000
  108    85    86    37.50000  110.70000
  108    85    90    58.35000  112.70000
  108   105   106    37.50000  110.70000
  108   105   107    37.50000  110.70000
  108    78    79    37.50000  110.70000
  108    78    82    58.35000  112.70000
  108   109   110    37.50000  110.70000
  108   109   111    37.50000  110.70000
  108   109   112    37.50000  110.70000
   78    73    74    37.50000  110.70000
   78    73    75    58.35000  112.70000
   78    82    83    37.50000  110.70000
   78    82    84    37.50000  110.70000
   78    82    87    58.35000  112.70000
   82    78    79    37.50000  110.70000
   82    87    88    37.50000  110.70000
   82    87    89    37.50000  110.70000
   82    87    93    58.35000  112.70000
   84    82    83    33.00000  107.80000
   87    82    83    37.50000  110.70000
   87    82    84    37.50000  110.70000
   87    93    96    58.35000  112.70000
   89    87    88    33.00000  107.80000
   93    45    46    37.50000  110.70000
   93    45    57    58.35000  112.70000
   93    71    72    37.50000  110.70000
   93    71    73    58.35000  112.70000
   93    87    88    37.50000  110.70000
   93    87    89    37.50000  110.70000
   93    96    97    37.50000  110.70000
   93    96    98    37.50000  110.70000
   93    96    99    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
  109   108    78    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
  103    94    95    35.00000  109.50000
  103    94   100    50.00000  109.50000
   47    41    42    37.50000  110.70000
   47    41    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
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   86    85    90    94   0.15000  1.0 3.0
   86    85   108   105   0.15000  1.0 3.0
   86    85   108    78   0.15000  1.0 3.0
   86    85   108   109   0.15000  1.0 3.0
   90    85   108   105   0.56750  1.0 1.0
   90    85   108   105  -0.07550 -1.0 2.0
   90    85   108   105   0.20000  1.0 3.0
   90    85   108    78   0.56750  1.0 1.0
   90    85   108    78  -0.07550 -1.0 2.0
   90    85   108    78   0.20000  1.0 3.0
   90    85   108   109   0.56750  1.0 1.0
   90    85   108   109  -0.07550 -1.0 2.0
   90    85   108   109   0.20000  1.0 3.0
   90    94   100   101   0.15000  1.0 3.0
   90    94   100   102   0.15000  1.0 3.0
   90    94  -100   105   0.56750  1.0 1.0
   90    94  -100   105  -0.07550 -1.0 2.0
   90    94  -100   105   0.20000  1.0 3.0
   90    94   103   104  -0.11600  1.0 1.0
   90    94   103   104  -0.09450 -1.0 2.0
   90    94   103   104   0.21250  1.0 3.0
   91    90    94    95   0.15000  1.0 3.0
   91    90    94   100   0.15000  1.0 3.0
   91    90    94   103   0.23400  1.0 3.0
   92    90    94    95   0.15000  1.0 3.0
   92    90    94   100   0.15000  1.0 3.0
   92    90    94   103   0.23400  1.0 3.0
   94   100   105   106   0.15000  1.0 3.0
   94   100   105   107   0.15000  1.0 3.0
   94   100   105   108   0.56750  1.0 1.0
   94   100   105   108  -0.07550 -1.0 2.0
   94   100   105   108   0.20000  1.0 3.0
   95    94   100   101   0.15000  1.0 3.0
   95    94   100   102   0.15000  1.0 3.0
   95    94   100   105   0.15000  1.0 3.0
   95    94   103   104   0.19450  1.0 3.0
  100    94   103   104  -0.11600  1.0 1.0
  100    94   103   104  -0.09450 -1.0 2.0
  100    94   103   104   0.21250  1.0 3.0
  100   105  -108    85   0.56750  1.0 1.0
  100   105  -108    85  -0.07550 -1.0 2.0
  100   105  -108    85   0.20000  1.0 3.0
  100   105   108    78   0.56750  1.0 1.0
  100   105   108    78  -0.07550 -1.0 2.0
  100   105   108    78   0.20000  1.0 3.0
  100   105   108   109   0.56750  1.0 1.0
  100   105   108   109  -0.07550 -1.0 2.0
  100   105   108   109   0.20000  1.0 3.0
  101   100   105   106   0.15000  1.0 3.0
  101   100   105   107   0.15000  1.0 3.0
  101   100   105   108   0.15000  1.0 3.0
  102   100   105   106   0.15000  1.0 3.0
  102   100   105   107   0.15000  1.0 3.0
  102   100   105   108   0.15000  1.0 3.0
  105   108    78    73   0.56750  1.0 1.0
  105   108    78    73  -0.07550 -1.0 2.0
  105   108    78    73   0.20000  1.0 3.0
  105   108    78    79   0.15000  1.0 3.0
  105   108    78    82   0.56750  1.0 1.0
  105   108    78    82  -0.07550 -1.0 2.0
  105   108    78    82   0.20000  1.0 3.0
  105   108   109   110   0.15000  1.0 3.0
  105   108   109   111   0.15000  1.0 3.0
  105   108   109   112   0.15000  1.0 3.0
  106   105   108    85   0.15000  1.0 3.0
  106   105   108    78   0.15000  1.0 3.0
  106   105   108   109   0.15000  1.0 3.0
  107   105   108    85   0.15000  1.0 3.0
  107   105   108    78   0.15000  1.0 3.0
  107   105   108   109   0.15000  1.0 3.0
  108    85    90    91   0.15000  1.0 3.0
  108    85    90    92   0.15000  1.0 3.0
  108    85   -90    94   0.56750  1.0 1.0
  108    85   -90    94  -0.07550 -1.0 2.0
  108    85   -90    94   0.20000  1.0 3.0
  108    78    82    83   0.15000  1.0 3.0
  108    78    82    84   0.15000  1.0 3.0
  108    78    82    87   0.56750  1.0 1.0
  108    78    82    87  -0.07550 -1.0 2.0
  108    78    82    87   0.20000  1.0 3.0
   78    73    75    76   0.15000  1.0 3.0
   78    73    75    77   0.15000  1.0 3.0
   78    73   -75    80  -0.95700  1.0 1.0
   78    73   -75    80  -0.18200 -1.0 2.0
   78    73   -75    80   0.29450  1.0 3.0
   78   108   109   110   0.15000  1.0 3.0
   78   108   109   111   0.15000  1.0 3.0
   78   108   109   112   0.15000  1.0 3.0
   78    82    87    88   0.15000  1.0 3.0
   78    82    87    89   0.15000  1.0 3.0
   78    82    87    93   0.56750  1.0 1.0
   78    82    87    93  -0.07550 -1.0 2.0
   78    82    87    93   0.20000  1.0 3.0
   79    78    82    83   0.15000  1.0 3.0
   79    78    82    84   0.15000  1.0 3.0
   79    78    82    87   0.15000  1.0 3.0
   82    87    93    45   0.56750  1.0 1.0
   82    87    93    45  -0.07550 -1.0 2.0
   82    87    93    45   0.20000  1.0 3.0
   82    87   -93    71   0.56750  1.0 1.0
   82    87   -93    71  -0.07550 -1.0 2.0
   82    87   -93    71   0.20000  1.0 3.0
   82    87    93    96   0.56750  1.0 1.0
   82    87    93    96  -0.07550 -1.0 2.0
   82    87    93    96   0.20000  1.0 3.0
   83    82    87    88   0.15000  1.0 3.0
   83    82    87    89   0.15000  1.0 3.0
   83    82    87    93   0.15000  1.0 3.0
   84    82    87    88   0.15000  1.0 3.0
   84    82    87    89   0.15000  1.0 3.0
   84    82    87    93   0.15000  1.0 3.0
   87    93    96    97   0.15000  1.0 3.0
   87    93    96    98   0.15000  1.0 3.0
   87    93    96    99   0.15000  1.0 3.0
   88    87    93    45   0.15000  1.0 3.0
   88    87    93    71   0.15000  1.0 3.0
   88    87    93    96   0.15000  1.0 3.0
   89    87    93    45   0.15000  1.0 3.0
   89    87    93    71   0.15000  1.0 3.0
   89    87    93    96   0.15000  1.0 3.0
   93    45    57    58   0.15000  1.0 3.0
   93    45    57    59   0.15000  1.0 3.0
   93    45   -57    68   0.56750  1.0 1.0
   93    45   -57    68  -0.07550 -1.0 2.0
   93    45   -57    68   0.20000  1.0 3.0
   93    71    73    74   0.15000  1.0 3.0
   93    71    73    75   0.56750  1.0 1.0
   93    71    73    75  -0.07550 -1.0 2.0
   93    71    73    75   0.20000  1.0 3.0
   93    71   -73    78   0.56750  1.0 1.0
   93    71   -73    78  -0.07550 -1.0 2.0
   93    71   -73    78   0.20000  1.0 3.0
  109   108    78    73   0.56750  1.0 1.0
  109   108    78    73  -0.07550 -1.0 2.0
  109   108    78    73   0.20000  1.0 3.0
  109   108    78    79   0.15000  1.0 3.0
  109   108    78    82   0.56750  1.0 1.0
  109   108    78    82  -0.07550 -1.0 2.0
  109   108    78    82   0.20000  1.0 3.0
  103    94   100   101   0.23400  1.0 3.0
  103    94   100   102   0.23400  1.0 3.0
  103    94   100   105   0.86500  1.0 1.0
  103    94   100   105  -0.17500 -1.0 2.0
  103    94   100   105   0.20800  1.0 3.0
   47    41    45    46   0.15000  1.0 3.0
   47    41    45    57   0.56750  1.0 1.0
   47    41    45    57  -0.07550 -1.0 2.0
   47    41    45    57   0.20000  1.0 3.0
   47    41    45    93   0.56750  1.0 1.0
   47    41    45    93  -0.07550 -1.0 2.0
   47    41    45    93   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   75    85    80    81  10.50000 -1.0 2.0
END
