* LIGAND DATABASE FILE (OPLS2005)
*
001     114   117    230    371     696
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102    48.95889    98.87791
    3     1 S   H    _H1_     3     1.02081    63.42709  -105.62949
    4     1 S   H    _H2_     4     1.02060   105.88305    -2.32726
    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     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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     1.85135    97.24965   180.00000
   34    33 S   HC   _H3_    37     1.09924   103.52697   -31.23004
   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   _C26    38     1.53466   106.65627    80.00014
   39    38 S   HC   _H70    39     1.09651   110.78213    70.26635
   40    38 S   HC   _H71    40     1.09131   113.19445   -50.27430
   41    38 S   HC   _H72    41     1.09380   111.82916  -172.04641
   42    33 S   CT   _C32    42     1.59056   114.60465  -149.56310
   43    42 S   OM   _O30    43     1.33195   106.25724   180.00000
   44    42 S   CT   _C28    44     1.57447   114.59836   -64.62997
   45    44 S   HC   _H75    45     1.09918   110.20294   -55.79813
   46    44 S   HC   _H76    46     1.10030   109.46279  -169.21862
   47    42 S   CT   _C30   105     1.59285   111.55855    63.27075
   48    47 S   HC   _H78   106     1.09642   107.52484   -69.57322
   49    44 S   CT   _C27    47     1.53476   116.70718    67.96231
   50    49 S   HC   _H73    48     1.09415   110.07804    54.02498
   51    49 S   HC   _H74    49     1.09457   109.62140   -63.79371
   52    47 S   CT   _C24   107     1.54508   114.60410    47.79233
   53    52 S   HC   _H64   108     1.09485   111.78100    61.69280
   54    52 S   HC   _H65   109     1.09610   110.23385  -179.07085
   55    52 S   HC   _H66   110     1.09304   112.16630   -60.16193
   56    47 S   CT   _C25   111     1.54246   114.98503   173.82861
   57    56 S   HC   _H67   112     1.09487   111.99108   -62.01467
   58    56 S   HC   _H68   113     1.09620   110.50186   178.22590
   59    56 S   HC   _H69   114     1.09383   111.62202    59.88284
   60    49 S   CT   _C29    50     1.54702   113.45559   175.14772
   61    60 S   HC   _H77    51     1.09954   108.31461   -64.15267
   62    60 S   CT   _C17    52     1.52182   110.13592   177.69794
   63    62 S   HC   _H53    53     1.09979   107.10139   -79.98815
   64    60 S   CT   _C23   101     1.53250   112.08858    54.84710
   65    64 S   HC   _H61   102     1.09498   110.56856    60.76472
   66    64 S   HC   _H62   103     1.09368   111.66141  -179.96044
   67    64 S   HC   _H63   104     1.09531   111.12353   -59.08993
   68    62 S   CT   _C10    54     1.54693   112.86357    38.23645
   69    68 S   HC   _H42    55     1.09610   112.13817    28.89419
   70    68 S   HC   _H43    56     1.09579   110.32445   -90.64218
   71    68 S   CT   _C8_    57     1.54049   106.29047   148.98465
   72    71 S   HC   _H38    58     1.09429   111.34498   128.31655
   73    71 S   HC   _H39    59     1.09631   110.33626  -112.28014
   74    71 S   CT   _C16    60     1.52526   104.05428     7.42811
   75    74 S   HC   _H52    61     1.10309   105.87593    79.31332
   76    74 S   CT   _C14    62     1.53220   118.80775  -161.28102
   77    76 S   HC   _H50    63     1.09670   109.24271    60.23332
   78    76 S   CT   _C6_    64     1.53571   110.78397   -58.11675
   79    78 S   HC   _H34    65     1.09719   109.03952    74.16684
   80    78 S   HC   _H35    66     1.09682   110.61621   -42.98108
   81    76 S   CT   _C15    82     1.55604   109.50054  -179.82417
   82    81 S   HC   _H51    83     1.10287   105.72200    65.88119
   83    78 S   CM   _C4_    67     1.49467   113.61099  -164.40438
   84    83 S   HC   _H33    68     1.08786   115.68628  -166.35795
   85    81 S   CT   _C9_    84     1.55319   112.80703   -48.58842
   86    85 S   HC   _H40    85     1.09394   110.62133   -74.64597
   87    85 S   HC   _H41    86     1.09598   109.75046   168.57314
   88    83 S   CM   _C5_    69     1.34408   124.76588    13.42675
   89    85 S   CT   _C13    87     1.53864   113.86363    47.47941
   90    89 S   HC   _H48    88     1.09732   108.57409    69.09150
   91    89 S   HC   _H49    89     1.09709   109.51731  -175.25203
   92    88 S   CT   _C7_    70     1.51163   119.91755  -178.86271
   93    92 S   HC   _H36    71     1.09784   111.64375    -7.20165
   94    92 S   HC   _H37    72     1.09792   109.60814   108.49055
   95    62 S   CT   _C20    90     1.54764   116.55795   158.08293
   96    92 S   CT   _C18    73     1.52567   111.85615  -129.33825
   97    96 S   HC   _H54    74     1.09774   109.68874    68.61435
   98    95 S   CT   _C22    91     1.54859   111.19564   -46.24802
   99    98 S   HC   _H58    92     1.08248   108.69674   -51.87162
  100    98 S   HC   _H59    93     1.08103   108.76087  -171.83108
  101    98 S   HC   _H60    94     1.08129   108.72021    68.04129
  102    96 S   CT   _C11    75     1.52399   111.21423   -53.34793
  103   102 S   HC   _H44    76     1.09654   110.18181   -66.92641
  104   102 S   HC   _H45    77     1.09782   109.60758   177.70271
  105    96 S   OH   _O33    99     1.42411   108.55800  -173.92197
  106   105 S   HO   _H80   100     0.96968   106.59281  -179.96574
  107   102 S   CT   _C12    78     1.52814   111.29366    56.24328
  108   107 S   HC   _H46    79     1.09823   107.78369    67.02995
  109   107 S   HC   _H47    80     1.09600   108.17126  -178.37406
  110    88 S   CT   _C19    81     1.53480   122.90644     1.53735
  111   110 S   CT   _C21    95     1.54847   107.95464  -107.92739
  112   111 S   HC   _H55    96     1.08161   108.78601  -179.97202
  113   111 S   HC   _H56    97     1.08163   108.80676    60.02408
  114   111 S   HC   _H57    98     1.08231   108.76958   -60.00560
  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
  15   8   2   1   1   7   3   2   1  18   8  13   6   5  10   8
  12   5   4   7   3   2   1   3   2   1   1  15   8  23   9   5
   2   1   1  11   6   5  11   5   4  19   7  18   9  11   5   4
  20   8   9   3  11   6   5  15   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    49    47    48    52    56  
   38    39    40    41    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    50    51    60    47    48    52    53    54    55    56    57    58    59  
   44    45    46    49    47    48    52    56  
   45    46    49    50    51    60    61    62    64    47    48    52    56  
   46    49    50    51    60    47  
   49    50    51    60    47  
   48    52    53    54    55    56    57    58    59    49  
   52    53    54    55    56    57    58    59  
   50    51    60    61    62    63    68    95    64    65    66    67  
   51    60    61    62    64  
   60    61    62    64  
   53    54    55    56    57    58    59  
   54    55    56  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    68    69    70    71    74    89    95    98    64    65    66    67  
   62    63    68    95    64    65    66    67  
   63    68    69    70    71    72    73    74    75    76    85    89    90    91    95    98    99   100   101    64    65    66    67  
   68    69    70    71    74    89    95    98    64  
   65    66    67    68    95  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75    76    89    95    98  
   70    71    72    73    74    95  
   71    72    73    74    95  
   72    73    74    75    76    77    78    81    89    95    98  
   73    74    75    76    95  
   74    75    76    95  
   75    76    77    78    79    80    83   110    81    82    85    89    90    91    95    98    99   100   101  
   76    77    78    81    89    95    98  
   77    78    79    80    83    84    88   107   110    81    82    85    86    87    89    95    98   111  
   78    79    80    83   110    81    82    85    95  
   79    80    83    84    88    92   110    81    82    85    95  
   80    83    84    88    81  
   83    84    88    81  
   82    85    86    87    89    90    91    95   111   112   113   114    83    88    92   102   107   108   109   110  
   85    86    87    89   111    88   107   110  
   84    88    92    93    94    96   107   110   111  
   88    92   110  
   86    87    89    90    91    95    98   111    88   107   110  
   87    89    90    91    95   110  
   89    90    91    95   110  
   92    93    94    96    97   102   107   108   109   110   111   112   113   114   105  
   90    91    95    98    99   100   101   110  
   91    95    98  
   95    98  
   93    94    96    97   102   103   104   107   110   111   105   106  
   94    96    97   102   110   105  
   96    97   102   110   105  
   98    99   100   101  
   97   102   103   104   107   108   109   110   105   106  
  102   103   104   107   105   106  
   99   100   101  
  100   101  
  101  
    0  
  103   104   107   108   109   110   111   105   106  
  104   107   108   109   110   105  
  107   108   109   110   105  
  106   107  
    0  
  108   109   110   111   112   113   114  
  109   110   111  
  110   111  
  111   112   113   114  
  112   113   114  
  113   114  
  114  
    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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   89   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   96   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
  101   2.5000   0.0300   0.060000   1.4250   1.2500   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   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  106   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  107   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   570.000  1.307
   42    44   268.000  1.529
   42    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    95   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   268.000  1.529
   74    95   268.000  1.529
   76    77   340.000  1.090
   76    78   268.000  1.529
   76    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    83   317.000  1.510
   83    84   340.000  1.080
   83    88   549.000  1.340
   88    92   317.000  1.510
   88   110   317.000  1.510
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    96   268.000  1.529
   96    97   340.000  1.090
   96   102   268.000  1.529
   96   105   320.000  1.410
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   107   268.000  1.529
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   268.000  1.529
  110    81   268.000  1.529
  110   111   268.000  1.529
   81    82   340.000  1.090
   81    85   268.000  1.529
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    89   268.000  1.529
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    95   268.000  1.529
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
  105   106   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   47    48   340.000  1.090
   47    52   268.000  1.529
   47    56   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    58.35000  112.70000
   33    42    47    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    37.50000  110.70000
   42    44    46    37.50000  110.70000
   42    44    49    58.35000  112.70000
   42    47    48    37.50000  110.70000
   42    47    52    58.35000  112.70000
   42    47    56    58.35000  112.70000
   44    42    43    50.00000  109.50000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    60    58.35000  112.70000
   46    44    45    33.00000  107.80000
   49    44    45    37.50000  110.70000
   49    44    46    37.50000  110.70000
   49    60    61    37.50000  110.70000
   49    60    62    58.35000  112.70000
   49    60    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   60    49    50    37.50000  110.70000
   60    49    51    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    68    58.35000  112.70000
   60    62    95    58.35000  112.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    58.35000  112.70000
   62    95    74    58.35000  112.70000
   62    95    89    58.35000  112.70000
   62    95    98    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    58.35000  112.70000
   71    74    95    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    76    77    37.50000  110.70000
   74    76    78    58.35000  112.70000
   74    76    81    58.35000  112.70000
   74    95    89    58.35000  112.70000
   74    95    98    58.35000  112.70000
   76    74    75    37.50000  110.70000
   76    78    79    37.50000  110.70000
   76    78    80    37.50000  110.70000
   76    78    83    70.00000  112.02700
   76    81   110    58.35000  112.70000
   76    81    82    37.50000  110.70000
   76    81    85    58.35000  112.70000
   78    76    77    37.50000  110.70000
   78    83    84    35.00000  117.00000
   78    83    88    70.00000  124.00000
   80    78    79    33.00000  107.80000
   83    78    79    35.00000  109.50000
   83    78    80    35.00000  109.50000
   83    88    92    70.00000  124.00000
   83    88   110    70.00000  124.00000
   88    83    84    35.00000  120.00000
   88    92    93    35.00000  109.50000
   88    92    94    35.00000  109.50000
   88    92    96    70.00000  112.02700
   88   110   107    70.00000  112.02700
   88   110    81    70.00000  112.02700
   88   110   111    70.00000  112.02700
   92    96    97    37.50000  110.70000
   92    96   102    58.35000  112.70000
   92    96   105    50.00000  109.50000
   94    92    93    33.00000  107.80000
   96    92    93    37.50000  110.70000
   96    92    94    37.50000  110.70000
   96   102   103    37.50000  110.70000
   96   102   104    37.50000  110.70000
   96   102   107    58.35000  112.70000
   96   105   106    55.00000  108.50000
  102    96    97    37.50000  110.70000
  102   107   108    37.50000  110.70000
  102   107   109    37.50000  110.70000
  102   107   110    58.35000  112.70000
  104   102   103    33.00000  107.80000
  107   102   103    37.50000  110.70000
  107   102   104    37.50000  110.70000
  107   110    81    58.35000  112.70000
  107   110   111    58.35000  112.70000
  109   107   108    33.00000  107.80000
  110    88    92    65.00000  117.92700
  110   107   108    37.50000  110.70000
  110   107   109    37.50000  110.70000
  110    81    82    37.50000  110.70000
  110    81    85    58.35000  112.70000
  110   111   112    37.50000  110.70000
  110   111   113    37.50000  110.70000
  110   111   114    37.50000  110.70000
   81    76    77    37.50000  110.70000
   81    76    78    58.35000  112.70000
   81    85    86    37.50000  110.70000
   81    85    87    37.50000  110.70000
   81    85    89    58.35000  112.70000
   85    81    82    37.50000  110.70000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    95    58.35000  112.70000
   87    85    86    33.00000  107.80000
   89    85    86    37.50000  110.70000
   89    85    87    37.50000  110.70000
   89    95    98    58.35000  112.70000
   91    89    90    33.00000  107.80000
   95    62    63    37.50000  110.70000
   95    62    68    58.35000  112.70000
   95    74    75    37.50000  110.70000
   95    74    76    58.35000  112.70000
   95    89    90    37.50000  110.70000
   95    89    91    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
  111   110    81    58.35000  112.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
  105    96    97    35.00000  109.50000
  105    96   102    50.00000  109.50000
   64    60    61    37.50000  110.70000
   64    60    62    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
   47    42    43    50.00000  109.50000
   47    42    44    58.35000  112.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   47    56    57    37.50000  110.70000
   47    56    58    37.50000  110.70000
   47    56    59    37.50000  110.70000
   52    47    48    37.50000  110.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   56    47    48    37.50000  110.70000
   56    47    52    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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
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   88   110    81    82   0.15000  1.0 3.0
   88   110    81    85   0.34400  1.0 1.0
   88   110    81    85   0.09450 -1.0 2.0
   88   110    81    85   0.11100  1.0 3.0
   88   110   111   112   0.15000  1.0 3.0
   88   110   111   113   0.15000  1.0 3.0
   88   110   111   114   0.15000  1.0 3.0
   92    88   110   107   0.46850  1.0 1.0
   92    88   110   107   0.08550 -1.0 2.0
   92    88   110   107   0.09800  1.0 3.0
   92    88   110    81   0.46850  1.0 1.0
   92    88   110    81   0.08550 -1.0 2.0
   92    88   110    81   0.09800  1.0 3.0
   92    88   110   111   0.46850  1.0 1.0
   92    88   110   111   0.08550 -1.0 2.0
   92    88   110   111   0.09800  1.0 3.0
   92    96   102   103   0.15000  1.0 3.0
   92    96   102   104   0.15000  1.0 3.0
   92    96  -102   107   0.56750  1.0 1.0
   92    96  -102   107  -0.07550 -1.0 2.0
   92    96  -102   107   0.20000  1.0 3.0
   92    96   105   106  -0.11600  1.0 1.0
   92    96   105   106  -0.09450 -1.0 2.0
   92    96   105   106   0.21250  1.0 3.0
   93    92    96    97   0.15000  1.0 3.0
   93    92    96   102   0.15000  1.0 3.0
   93    92    96   105   0.23400  1.0 3.0
   94    92    96    97   0.15000  1.0 3.0
   94    92    96   102   0.15000  1.0 3.0
   94    92    96   105   0.23400  1.0 3.0
   96   102   107   108   0.15000  1.0 3.0
   96   102   107   109   0.15000  1.0 3.0
   96   102   107   110   0.56750  1.0 1.0
   96   102   107   110  -0.07550 -1.0 2.0
   96   102   107   110   0.20000  1.0 3.0
   97    96   102   103   0.15000  1.0 3.0
   97    96   102   104   0.15000  1.0 3.0
   97    96   102   107   0.15000  1.0 3.0
   97    96   105   106   0.19450  1.0 3.0
  102    96   105   106  -0.11600  1.0 1.0
  102    96   105   106  -0.09450 -1.0 2.0
  102    96   105   106   0.21250  1.0 3.0
  102   107  -110    88   0.34400  1.0 1.0
  102   107  -110    88   0.09450 -1.0 2.0
  102   107  -110    88   0.11100  1.0 3.0
  102   107   110    81   0.56750  1.0 1.0
  102   107   110    81  -0.07550 -1.0 2.0
  102   107   110    81   0.20000  1.0 3.0
  102   107   110   111   0.56750  1.0 1.0
  102   107   110   111  -0.07550 -1.0 2.0
  102   107   110   111   0.20000  1.0 3.0
  103   102   107   108   0.15000  1.0 3.0
  103   102   107   109   0.15000  1.0 3.0
  103   102   107   110   0.15000  1.0 3.0
  104   102   107   108   0.15000  1.0 3.0
  104   102   107   109   0.15000  1.0 3.0
  104   102   107   110   0.15000  1.0 3.0
  107   110    81    76   0.56750  1.0 1.0
  107   110    81    76  -0.07550 -1.0 2.0
  107   110    81    76   0.20000  1.0 3.0
  107   110    81    82   0.15000  1.0 3.0
  107   110    81    85   0.56750  1.0 1.0
  107   110    81    85  -0.07550 -1.0 2.0
  107   110    81    85   0.20000  1.0 3.0
  107   110   111   112   0.15000  1.0 3.0
  107   110   111   113   0.15000  1.0 3.0
  107   110   111   114   0.15000  1.0 3.0
  108   107   110    88   0.15000  1.0 3.0
  108   107   110    81   0.15000  1.0 3.0
  108   107   110   111   0.15000  1.0 3.0
  109   107   110    88   0.15000  1.0 3.0
  109   107   110    81   0.15000  1.0 3.0
  109   107   110   111   0.15000  1.0 3.0
  110    88    92    93   0.34800  1.0 3.0
  110    88    92    94   0.34800  1.0 3.0
  110    88   -92    96   0.46850  1.0 1.0
  110    88   -92    96   0.08550 -1.0 2.0
  110    88   -92    96   0.09800  1.0 3.0
  110    81    85    86   0.15000  1.0 3.0
  110    81    85    87   0.15000  1.0 3.0
  110    81    85    89   0.56750  1.0 1.0
  110    81    85    89  -0.07550 -1.0 2.0
  110    81    85    89   0.20000  1.0 3.0
   81    76    78    79   0.15000  1.0 3.0
   81    76    78    80   0.15000  1.0 3.0
   81    76   -78    83   0.34400  1.0 1.0
   81    76   -78    83   0.09450 -1.0 2.0
   81    76   -78    83   0.11100  1.0 3.0
   81   110   111   112   0.15000  1.0 3.0
   81   110   111   113   0.15000  1.0 3.0
   81   110   111   114   0.15000  1.0 3.0
   81    85    89    90   0.15000  1.0 3.0
   81    85    89    91   0.15000  1.0 3.0
   81    85    89    95   0.56750  1.0 1.0
   81    85    89    95  -0.07550 -1.0 2.0
   81    85    89    95   0.20000  1.0 3.0
   82    81    85    86   0.15000  1.0 3.0
   82    81    85    87   0.15000  1.0 3.0
   82    81    85    89   0.15000  1.0 3.0
   85    89    95    62   0.56750  1.0 1.0
   85    89    95    62  -0.07550 -1.0 2.0
   85    89    95    62   0.20000  1.0 3.0
   85    89   -95    74   0.56750  1.0 1.0
   85    89   -95    74  -0.07550 -1.0 2.0
   85    89   -95    74   0.20000  1.0 3.0
   85    89    95    98   0.56750  1.0 1.0
   85    89    95    98  -0.07550 -1.0 2.0
   85    89    95    98   0.20000  1.0 3.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    91   0.15000  1.0 3.0
   86    85    89    95   0.15000  1.0 3.0
   87    85    89    90   0.15000  1.0 3.0
   87    85    89    91   0.15000  1.0 3.0
   87    85    89    95   0.15000  1.0 3.0
   89    95    98    99   0.15000  1.0 3.0
   89    95    98   100   0.15000  1.0 3.0
   89    95    98   101   0.15000  1.0 3.0
   90    89    95    62   0.15000  1.0 3.0
   90    89    95    74   0.15000  1.0 3.0
   90    89    95    98   0.15000  1.0 3.0
   91    89    95    62   0.15000  1.0 3.0
   91    89    95    74   0.15000  1.0 3.0
   91    89    95    98   0.15000  1.0 3.0
   95    62    68    69   0.15000  1.0 3.0
   95    62    68    70   0.15000  1.0 3.0
   95    62   -68    71   0.56750  1.0 1.0
   95    62   -68    71  -0.07550 -1.0 2.0
   95    62   -68    71   0.20000  1.0 3.0
   95    74    76    77   0.15000  1.0 3.0
   95    74    76    78   0.56750  1.0 1.0
   95    74    76    78  -0.07550 -1.0 2.0
   95    74    76    78   0.20000  1.0 3.0
   95    74   -76    81   0.56750  1.0 1.0
   95    74   -76    81  -0.07550 -1.0 2.0
   95    74   -76    81   0.20000  1.0 3.0
  111   110    81    76   0.56750  1.0 1.0
  111   110    81    76  -0.07550 -1.0 2.0
  111   110    81    76   0.20000  1.0 3.0
  111   110    81    82   0.15000  1.0 3.0
  111   110    81    85   0.56750  1.0 1.0
  111   110    81    85  -0.07550 -1.0 2.0
  111   110    81    85   0.20000  1.0 3.0
  105    96   102   103   0.23400  1.0 3.0
  105    96   102   104   0.23400  1.0 3.0
  105    96   102   107   0.86500  1.0 1.0
  105    96   102   107  -0.17500 -1.0 2.0
  105    96   102   107   0.20800  1.0 3.0
   64    60    62    63   0.15000  1.0 3.0
   64    60    62    68   0.56750  1.0 1.0
   64    60    62    68  -0.07550 -1.0 2.0
   64    60    62    68   0.20000  1.0 3.0
   64    60    62    95   0.56750  1.0 1.0
   64    60    62    95  -0.07550 -1.0 2.0
   64    60    62    95   0.20000  1.0 3.0
   47    42    44    45   0.15000  1.0 3.0
   47    42    44    46   0.15000  1.0 3.0
   47    42    44    49   0.56750  1.0 1.0
   47    42    44    49  -0.07550 -1.0 2.0
   47    42    44    49   0.20000  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    54   0.15000  1.0 3.0
   48    47    52    55   0.15000  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   48    47    56    59   0.15000  1.0 3.0
   52    47    56    57   0.15000  1.0 3.0
   52    47    56    58   0.15000  1.0 3.0
   52    47    56    59   0.15000  1.0 3.0
   56    47    52    53   0.15000  1.0 3.0
   56    47    52    54   0.15000  1.0 3.0
   56    47    52    55   0.15000  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
   78    84    83    88   1.10000 -1.0 2.0
   92   110    88    83   1.10000 -1.0 2.0
END
