* LIGAND DATABASE FILE (OPLS2005)
*
001     114   116    216    322     630
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02122   103.51857   -38.50277
    3     1 S   H    _H1_     3     1.02113    71.01515    66.97425
    4     1 S   H    _H2_     4     1.02125    42.38978  -141.48660
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08575   109.89770   179.09691
   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   _C28    36     1.82958    97.88558   -78.12771
   34    33 S   HC   _H10    37     1.09473   105.73689    40.67214
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C26    38     1.53291   109.86323   159.99235
   39    33 S   CT   _C29   111     1.53008   109.85299   -73.23505
   40    39 S   HC   _H34   112     1.09671   110.84348   -66.23117
   41    39 S   HC   _H35   113     1.09557   112.62652   173.06896
   42    39 S   HC   _H36   114     1.09577   110.46035    52.42788
   43    38 S   CMA  _C25    39     1.36997   122.90428  -116.30613
   44    43 S   OM   _O40    40     1.26974   125.54995  -177.99221
   45    38 S   CT   _C27   107     1.52057   115.24979    64.21724
   46    45 S   HC   _H31   108     1.09456   110.33011   -90.50479
   47    45 S   HC   _H32   109     1.09402   110.91063   149.20386
   48    45 S   HC   _H33   110     1.09468   113.44844    29.62047
   49    43 S   OS   _O39    41     1.42471   112.10006     0.63458
   50    49 S   CT   _C13    42     1.41829   114.11844   179.97202
   51    50 S   HC   _H6_    43     1.09920   110.25916    42.84655
   52    50 S   CM   _C14    44     1.49692   109.41439   -79.96725
   53    52 S   HC   _H21    45     1.08089   124.05670    39.86841
   54    52 S   CM   _C15    46     1.34158   111.12565  -137.28711
   55    54 S   CT   _C16    47     1.52678   111.29546    -4.45545
   56    55 S   HC   _H7_    48     1.09269   109.92845   141.67749
   57    54 S   CT   _C24   103     1.48813   125.90450   174.29202
   58    57 S   HC   _H28   104     1.09164   110.03311    90.11297
   59    57 S   HC   _H29   105     1.09153   110.15445   -30.07236
   60    57 S   HC   _H30   106     1.09184   110.06017  -149.83458
   61    50 S   CT   _C12    49     1.54561   111.28494   169.72037
   62    61 S   HC   _H5_    50     1.10662   105.34625    41.40026
   63    55 S   CT   _C17    59     1.54445   108.38010   -95.36240
   64    63 S   HC   _H8_    60     1.09824   109.11554    60.13985
   65    61 S   CT   _C11    51     1.55133   117.61669   -73.38382
   66    63 S   OS   _O36    61     1.44766   110.18324   -55.52472
   67    65 S   CT   _C10    52     1.53714   116.23129   -85.13879
   68    67 S   HC   _H19    53     1.10059   108.11645   171.84178
   69    67 S   HC   _H20    54     1.09806   110.91978    57.03423
   70    66 S   CO4  _C20    62     1.36261   112.30490  -113.83151
   71    70 S   O    _O35    63     1.22128   124.38913  -176.84359
   72    65 S   CT   _C30    92     1.53884   112.25265    40.27554
   73    72 S   HC   _H37    93     1.08564   109.31823    50.35925
   74    72 S   HC   _H38    94     1.08447   109.29987   -69.65973
   75    72 S   HC   _H39    95     1.08540   109.25638   170.32435
   76    65 S   OS   _O41    96     1.44131   107.15768   155.59604
   77    67 S   CT   _C9_    55     1.53113   114.03045   -69.38102
   78    77 S   HC   _H4_    56     1.09183   110.23323   -34.42161
   79    82 S   CT   _C19    64     1.53419   115.65255  -167.42562
   80    76 S   CO4  _C31    97     1.35911   115.04827   -74.77590
   81    80 S   O    _O42    98     1.22364   126.82064    29.93384
   82    77 S   CT   _C18    57     1.52247   112.91865    91.09811
   83    82 S   HC   _H9_    58     1.10329   106.15988    75.93253
   84    79 S   CT   _C21    65     1.52455   117.31468    40.52645
   85    84 S   HC   _H22    66     1.08997   109.99446   -65.03661
   86    84 S   HC   _H23    67     1.08948   109.95895   174.96359
   87    84 S   HC   _H24    68     1.09017   109.90702    54.95682
   88    79 S   OS   _O37    69     1.41779   109.98610   -84.84026
   89    77 S   OS   _O34    76     1.43275   107.56934  -149.73330
   90    80 S   CT   _C32    99     1.49839   109.09595  -150.04153
   91    90 S   HC   _H40   100     1.09208   109.88406   -90.05612
   92    90 S   HC   _H41   101     1.09305   109.82396   148.03136
   93    90 S   HC   _H42   102     1.09344   109.35779    29.10627
   94    88 S   CO4  _C22    70     1.36896   115.92993   -70.46142
   95    94 S   O    _O38    71     1.22388   125.92408     0.07402
   96    89 S   CO4  _C8_    77     1.36531   115.38831    87.96819
   97    96 S   O    _O33    78     1.22441   125.88403     0.01978
   98    94 S   CT   _C23    72     1.49859   110.05555  -179.98022
   99    98 S   HC   _H25    73     1.09357   109.84356   -89.94210
  100    98 S   HC   _H26    74     1.09322   109.87797   148.12967
  101    98 S   HC   _H27    75     1.09327   109.37818    29.11739
  102    96 S   CT   _C6_    79     1.51895   109.46309  -178.74836
  103   102 S   HC   _H3_    80     1.09718   108.76927    28.77286
  104   102 S   CT   _C7_    81     1.52691   108.33004   -89.50253
  105   104 S   HC   _H16    82     1.09602   111.30695   -61.84012
  106   104 S   HC   _H17    83     1.09522   110.87062    58.66944
  107   104 S   HC   _H18    84     1.09597   110.84946   178.62869
  108   102 S   CT   _C5_    85     1.53568   111.46678   148.24191
  109   108 S   HC   _H14    86     1.09734   109.36895    60.70193
  110   108 S   HC   _H15    87     1.09710   110.58996   178.10235
  111   108 S   CT   _C4_    88     1.52325   112.57625   -59.70988
  112   111 S   HC   _H11    89     1.09446   111.52137   -58.94031
  113   111 S   HC   _H12    90     1.09440   110.09239  -178.62243
  114   111 S   HC   _H13    91     1.09465   110.92793    61.92020
  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   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
   9  14   7  12   4  13  19   8   5   2   1   1  16   5  14   6
  15   8  15   7   6  11   4   6   3   2   1   7  10   5  11   5
   4   9   3   5   3   2   1   6   6   3   2   1   1   5   4  11
   4   3   2   1   1  12   8   7   3   2   1   6   5   4   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    61    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    55    61    62    65  
   51    52    53    54    55    56    61    62    65    67    63    72    76    57  
   52    53    54    55    61    62    65  
   53    54    55    56    61    62    65    63    57    58    59    60  
   54    55    61    57  
   55    56    61    62    65    82    63    64    66    57    58    59    60  
   56    61    62    65    67    77    82    83    63    64    66    70    79    72    76    57    58    59    60  
   61    62    65    82    63    64    66    57  
   58    59    60    61    63  
   59    60  
   60  
    0  
   62    65    67    68    69    77    82    63    64    66    72    73    74    75    76    80  
   65    67    63    72    76  
   64    66    70    71    79    84    88    89    65    67    77    78    82    83  
   66    70    79    77    82    83  
   67    68    69    77    78    82    89    72    73    74    75    76    80    81    90  
   70    71    79    84    88    77    82    83  
   68    69    77    78    82    83    79    89    96    72    73    74    75    76    80  
   69    77    78    82    89    72    76  
   77    78    82    89    72    76  
   71    79    84    85    86    87    88    94    77    82    83  
   79    84    88    82  
   73    74    75    76    80    77  
   74    75    76  
   75    76  
   76  
   80    81    90    91    92    93    77  
   78    82    83    79    84    88    89    96    97   102  
   82    83    79    89    96  
   84    85    86    87    88    94    95    98    89    82    83  
   81    90    91    92    93  
   90    91    92    93  
   83    84    85    86    87    88    94    89    96  
   84    88    89  
   85    86    87    88    94  
   86    87    88  
   87    88  
   88  
   94    95    98    99   100   101  
   96    97   102   103   104   108  
   91    92    93  
   92    93  
   93  
    0  
   95    98    99   100   101  
   98    99   100   101  
   97   102   103   104   105   106   107   108   109   110   111  
  102   103   104   108  
   99   100   101  
  100   101  
  101  
    0  
  103   104   105   106   107   108   109   110   111   112   113   114  
  104   105   106   107   108   109   110   111  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108  
  108  
  109   110   111   112   113   114  
  110   111   112   113   114  
  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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   79   3.5000   0.0660   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   89   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   95   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   96   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   97   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   99   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  100   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  101   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  102   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  104   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    61   268.000  1.529
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    57   317.000  1.510
   55    56   340.000  1.090
   55    61   268.000  1.529
   55    63   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   65    67   268.000  1.529
   65    72   268.000  1.529
   65    76   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    77   268.000  1.529
   77    78   340.000  1.090
   77    82   268.000  1.529
   77    89   320.000  1.410
   82    83   340.000  1.090
   82    63   268.000  1.529
   82    79   268.000  1.529
   63    64   340.000  1.090
   63    66   320.000  1.410
   66    70   214.000  1.327
   70    71   570.000  1.229
   70    79   317.000  1.522
   79    84   268.000  1.529
   79    88   320.000  1.410
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   88    94   214.000  1.327
   94    95   570.000  1.229
   94    98   317.000  1.522
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   89    96   214.000  1.327
   96    97   570.000  1.229
   96   102   317.000  1.522
  102   103   340.000  1.090
  102   104   268.000  1.529
  102   108   268.000  1.529
  104   105   340.000  1.090
  104   106   340.000  1.090
  104   107   340.000  1.090
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    80   214.000  1.327
   80    81   570.000  1.229
   80    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    61    50.00000  109.50000
   50    52    53    35.00000  117.00000
   50    52    54    70.00000  124.00000
   50    61    55    58.35000  112.70000
   50    61    62    37.50000  110.70000
   50    61    65    58.35000  112.70000
   52    50    51    35.00000  109.50000
   52    54    55    70.00000  124.00000
   52    54    57    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    61    70.00000  112.02700
   54    55    63    70.00000  112.02700
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    37.50000  110.70000
   55    61    65    58.35000  112.70000
   55    63    82    58.35000  112.70000
   55    63    64    37.50000  110.70000
   55    63    66    50.00000  109.50000
   61    50    51    37.50000  110.70000
   61    50    52    70.00000  112.02700
   61    55    56    37.50000  110.70000
   61    65    67    58.35000  112.70000
   61    65    72    58.35000  112.70000
   61    65    76    50.00000  109.50000
   65    61    62    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    77    58.35000  112.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    75    37.50000  110.70000
   65    76    80    83.00000  116.90000
   67    77    78    37.50000  110.70000
   67    77    82    58.35000  112.70000
   67    77    89    50.00000  109.50000
   69    67    68    33.00000  107.80000
   77    67    68    37.50000  110.70000
   77    67    69    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    63    58.35000  112.70000
   77    82    79    58.35000  112.70000
   77    89    96    83.00000  116.90000
   82    77    78    37.50000  110.70000
   82    63    64    37.50000  110.70000
   82    63    66    50.00000  109.50000
   82    79    70    63.00000  111.10000
   82    79    84    58.35000  112.70000
   82    79    88    50.00000  109.50000
   63    55    56    37.50000  110.70000
   63    55    61    58.35000  112.70000
   63    82    83    37.50000  110.70000
   63    66    70    83.00000  116.90000
   66    63    64    35.00000  109.50000
   66    70    71    83.00000  123.40000
   66    70    79    81.00000  111.40000
   70    79    84    63.00000  111.10000
   70    79    88    90.00000  108.74100
   79    82    83    37.50000  110.70000
   79    82    63    58.35000  112.70000
   79    70    71    80.00000  120.40000
   79    84    85    37.50000  110.70000
   79    84    86    37.50000  110.70000
   79    84    87    37.50000  110.70000
   79    88    94    83.00000  116.90000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   88    79    84    50.00000  109.50000
   88    94    95    83.00000  123.40000
   88    94    98    81.00000  111.40000
   94    98    99    35.00000  109.50000
   94    98   100    35.00000  109.50000
   94    98   101    35.00000  109.50000
   98    94    95    80.00000  120.40000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   89    77    78    35.00000  109.50000
   89    77    82    50.00000  109.50000
   89    96    97    83.00000  123.40000
   89    96   102    81.00000  111.40000
   96   102   103    35.00000  109.50000
   96   102   104    63.00000  111.10000
   96   102   108    63.00000  111.10000
  102    96    97    80.00000  120.40000
  102   104   105    37.50000  110.70000
  102   104   106    37.50000  110.70000
  102   104   107    37.50000  110.70000
  102   108   109    37.50000  110.70000
  102   108   110    37.50000  110.70000
  102   108   111    58.35000  112.70000
  104   102   103    37.50000  110.70000
  106   104   105    33.00000  107.80000
  107   104   105    33.00000  107.80000
  107   104   106    33.00000  107.80000
  108   102   103    37.50000  110.70000
  108   102   104    58.35000  112.70000
  108   111   112    37.50000  110.70000
  108   111   113    37.50000  110.70000
  108   111   114    37.50000  110.70000
  110   108   109    33.00000  107.80000
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   72    65    67    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    65    67    50.00000  109.50000
   76    65    72    50.00000  109.50000
   76    80    81    83.00000  123.40000
   76    80    90    81.00000  111.40000
   80    90    91    35.00000  109.50000
   80    90    92    35.00000  109.50000
   80    90    93    35.00000  109.50000
   90    80    81    80.00000  120.40000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   57    54    55    65.00000  117.92700
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
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   96   102   108   111  -0.18200 -1.0 2.0
   96   102   108   111   0.29450  1.0 3.0
   97    96   102   103   0.00000  1.0 1.0
   97    96   102   104   0.30150 -1.0 2.0
   97    96   102   108   0.30150 -1.0 2.0
  102   108   111   112   0.15000  1.0 3.0
  102   108   111   113   0.15000  1.0 3.0
  102   108   111   114   0.15000  1.0 3.0
  103   102   104   105   0.15000  1.0 3.0
  103   102   104   106   0.15000  1.0 3.0
  103   102   104   107   0.15000  1.0 3.0
  103   102   108   109   0.15000  1.0 3.0
  103   102   108   110   0.15000  1.0 3.0
  103   102   108   111   0.15000  1.0 3.0
  104   102   108   109   0.15000  1.0 3.0
  104   102   108   110   0.15000  1.0 3.0
  104   102   108   111   0.56750  1.0 1.0
  104   102   108   111  -0.07550 -1.0 2.0
  104   102   108   111   0.20000  1.0 3.0
  108   102   104   105   0.15000  1.0 3.0
  108   102   104   106   0.15000  1.0 3.0
  108   102   104   107   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  109   108   111   113   0.15000  1.0 3.0
  109   108   111   114   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  110   108   111   113   0.15000  1.0 3.0
  110   108   111   114   0.15000  1.0 3.0
   72    65    67    68   0.15000  1.0 3.0
   72    65    67    69   0.15000  1.0 3.0
   72    65    67    77   0.56750  1.0 1.0
   72    65    67    77  -0.07550 -1.0 2.0
   72    65    67    77   0.20000  1.0 3.0
   72    65    76    80  -0.25900  1.0 1.0
   72    65    76    80  -0.47000 -1.0 2.0
   72    65    76    80   0.11750  1.0 3.0
   76    65    67    68   0.23400  1.0 3.0
   76    65    67    69   0.23400  1.0 3.0
   76    65    67    77   0.62750  1.0 1.0
   76    65    67    77  -0.30950 -1.0 2.0
   76    65    67    77   0.27300  1.0 3.0
   76    65    72    73   0.23400  1.0 3.0
   76    65    72    74   0.23400  1.0 3.0
   76    65    72    75   0.23400  1.0 3.0
   76    80    90    91   0.00000  1.0 1.0
   76    80    90    92   0.00000  1.0 1.0
   76    80    90    93   0.00000  1.0 1.0
   81    80    90    91   0.00000  1.0 1.0
   81    80    90    92   0.00000  1.0 1.0
   81    80    90    93   0.00000  1.0 1.0
   57    54    55    56   0.34800  1.0 3.0
   57    54    55    61   0.46850  1.0 1.0
   57    54    55    61   0.08550 -1.0 2.0
   57    54    55    61   0.09800  1.0 3.0
   57    54    55    63   0.46850  1.0 1.0
   57    54    55    63   0.08550 -1.0 2.0
   57    54    55    63   0.09800  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   50    53    52    54   1.10000 -1.0 2.0
   55    57    54    52   1.10000 -1.0 2.0
   66    79    70    71  10.50000 -1.0 2.0
   88    98    94    95  10.50000 -1.0 2.0
   89   102    96    97  10.50000 -1.0 2.0
   76    90    80    81  10.50000 -1.0 2.0
END
