* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    201    335     606
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02067    69.59386    68.78199
    3     1 S   H    _H1_     3     1.02096    43.59598  -138.69945
    4     1 S   H    _H2_     4     1.02068   104.03580   -36.23595
    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   110.72550    58.67015
   26    24 S   HC   HB22    34     1.08491   110.07674   179.26272
   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   _C24    36     1.91334    95.05712  -158.09159
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C18    37     1.58541   103.90890   -40.05061
   38    37 S   OM   _O27    38     1.31720   112.71162   -73.21868
   39    37 S   HC   _H51    39     1.10253   106.45649    54.59590
   40    33 S   CT   _C23    82     1.68707   106.44380  -166.98951
   41    37 S   CO4  _C10    40     1.52871   114.94961   165.45859
   42    41 S   O    _O30    41     1.23034   124.20907   147.30556
   43    40 S   CT   _C27    83     1.55373   110.96983   168.21043
   44    43 S   HC   _H57    84     1.07953   108.47680    55.41668
   45    43 S   HC   _H58    85     1.08008   108.42284   -64.56947
   46    43 S   HC   _H59    86     1.07950   108.48497   175.48651
   47    41 S   OS   _O35    42     1.35259   115.69101   -41.22567
   48    47 S   CT   _C15    43     1.44721   123.99237    33.76835
   49    48 S   HC   _H48    44     1.09576   104.53869    81.65422
   50    48 S   C5BC _C7_    45     1.52711   106.44018  -170.64426
   51    33 S   CT   _C22    53     1.62645   107.32441    71.39174
   52    50 S   C5BC _C4_    46     1.41603   127.04387    40.64298
   53    52 S   HA   _H37    47     1.08100   127.76991    -0.00000
   54    51 S   CT   _C13    54     1.54795   111.07761    70.84715
   55    54 S   HC   _H44    55     1.09743   110.31272   -71.54936
   56    54 S   HC   _H45    56     1.09808   110.10813   173.77260
   57    51 S   CT   _C26    97     1.56898   113.35635   -47.02139
   58    57 S   HC   _H54    98     1.07492   107.65194   -58.67393
   59    57 S   HC   _H55    99     1.07547   107.62796  -178.56632
   60    57 S   HC   _H56   100     1.07506   107.67144    61.38906
   61    52 S   C5A  _C5_    48     1.37529   106.12021   180.00000
   62    61 S   HA   _H38    49     1.08053   133.75506   180.00000
   63    54 S   CT   _C12    57     1.51944   115.10190    51.69712
   64    63 S   HC   _H42    58     1.09231   110.69337    66.43277
   65    63 S   HC   _H43    59     1.09306   106.14263  -178.76109
   66    61 S   OA   _O33    50     1.35839   110.56733    -0.00000
   67    63 S   CT   _C19    60     1.53090   111.27430   -59.35602
   68    67 S   HC   _H52    61     1.09802   103.98863   -52.67785
   69    50 S   C5A  _C6_    51     1.37544   126.85973  -139.33141
   70    69 S   HA   _H39    52     1.08055   133.93300    -0.04846
   71    67 S   CT   _C21    62     1.58214   113.69013  -164.30599
   72    71 S   CT   _C14    63     1.54988   112.41124   -65.27127
   73    72 S   HC   _H46    64     1.09234   111.18672   -89.57042
   74    72 S   HC   _H47    65     1.09319   111.75198    29.93820
   75    71 S   CT   _C16    76     1.53387   104.94265   167.11465
   76    75 S   HC   _H49    77     1.10428   107.75557   -46.46003
   77    72 S   OS   _O34    66     1.44537   116.13679   150.49673
   78    75 S   CO4  _C8_    78     1.50447   109.74098    64.80904
   79    78 S   O    _O28    79     1.22773   123.30170   118.69049
   80    77 S   CO4  _C9_    67     1.35318   120.01828   -50.44903
   81    80 S   O    _O29    68     1.22686   122.38390  -160.22046
   82    78 S   CT   _C17    80     1.53514   113.50421   -64.40477
   83    82 S   HC   _H50    81     1.11421   104.02125   -68.50028
   84    80 S   CT   _C11    69     1.50182   114.96002    20.38669
   85    84 S   HC   _H40    70     1.09618   107.00739   151.07748
   86    84 S   HC   _H41    71     1.09074   108.64528   -91.86995
   87    82 S   OH   _O37    87     1.41935   105.72291   179.36265
   88    87 S   HO   _H66    88     0.97103   106.72504    60.02107
   89    71 S   CT   _C20    72     1.53820   116.63001    60.25551
   90    89 S   HC   _H53    73     1.09675   111.49748    29.07452
   91    89 S   OS   _O36    74     1.45631   106.70495   145.54975
   92    91 S   CT   _C25    75     1.44670   110.16294   -19.72339
   93    92 S   CT   _C28    89     1.53373   106.89446  -122.84403
   94    93 S   HC   _H60    90     1.08600   109.51523   -67.30545
   95    93 S   HC   _H61    91     1.08631   109.46955   172.68697
   96    93 S   HC   _H62    92     1.08648   109.46867    52.69868
   97    92 S   CT   _C29    93     1.52908   109.14234   120.27859
   98    97 S   HC   _H63    94     1.08880   109.75114    62.87362
   99    97 S   HC   _H64    95     1.08818   109.75405   -57.06831
  100    97 S   HC   _H65    96     1.08806   109.72571  -177.13549
  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  13   5   4   3
  30   2   1   1  13   6   5  24   6   2  12   4   3   2   8  17
   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9   4
   3   2  17   5   1   1  19  13   5   4  20   8   6  10   4   7
   4   4   2   6   4   3   1   1   5   2   9   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    51    54    67    82    40    43    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    51    54    55    56    63    67    68    71    78    82    83    40    43    44    45    46    87    57    58    59    60  
   35    36  
   36  
    0  
   38    39    41    42    47    48    51    54    67    82    40    43    57  
   39    41    42    47    51    40  
   41    42    47    51    40  
   43    44    45    46    87    88    57    41    48    51    54    63    64    65    67    68    71    72    75    78    79    82    83    89  
   42    47    48    49    50    51  
   47    48  
   44    45    46    87    51    63    67    68    71    78    82    83  
   45    46    67    82  
   46    67    82  
   67    82  
   48    49    50    52    69    51    54    57  
   49    50    52    53    61    66    69    70    51    54    55    56    63    57    58    59    60  
   50    52    69    51    54    57  
   52    53    61    62    66    69    70    51    54    57  
   54    55    56    63    64    65    67    82    57    58    59    60    52    69  
   53    61    62    66    69    70  
   61    62    66    69  
   55    56    63    64    65    67    68    71    57    58    59    60  
   56    63    64    65    67    57  
   63    64    65    67    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    89    75    82  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    74    77    84    89    90    91    92    75    76    78    82    83    87  
   71    72    89    75    82  
   70  
    0  
   72    73    74    77    80    84    85    86    89    90    91    92    75    76    78    79    82    93    97  
   73    74    77    80    81    84    89    90    91    92    75    76    78  
   74    77    80    89    75  
   77    80    89    75  
   76    78    79    82    83    87    93    94    95    96    97    98    99   100    77    84    89    90    91    92  
   78    79    82    93    97    89    91    92  
   80    81    84    85    86    89  
   79    82    83    87    88    93    97    89    91    92  
   82    83    87    92  
   81    84    85    86    89    90    91  
   84    85    86    89  
   83    87    88    92  
   87    88  
   85    86    89    90    91    92  
   86    89    90    91  
   89    90    91  
   88  
    0  
   90    91    92    93    97  
   91    92  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100  
   99   100  
  100  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    51   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   285.000  1.502
   48    51   268.000  1.529
   50    52   469.000  1.424
   50    69   546.000  1.367
   52    53   367.000  1.080
   52    61   546.000  1.367
   61    62   367.000  1.080
   61    66   340.000  1.360
   66    69   340.000  1.360
   69    70   367.000  1.080
   51    54   268.000  1.529
   51    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    40   268.000  1.529
   71    72   268.000  1.529
   71    89   268.000  1.529
   71    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   320.000  1.410
   77    80   214.000  1.327
   80    81   570.000  1.229
   80    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    91   320.000  1.410
   91    92   320.000  1.410
   92    75   268.000  1.529
   92    93   268.000  1.529
   92    97   268.000  1.529
   75    76   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    40   268.000  1.529
   82    87   320.000  1.410
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   87    88   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    51    57    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    43    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    47    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    85.00000  111.85700
   47    48    51    50.00000  109.50000
   48    50    52    60.00000  130.00000
   48    50    69    60.00000  130.00000
   48    51    54    58.35000  112.70000
   48    51    57    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    52    53    35.00000  127.50000
   50    52    61    70.00000  107.30000
   50    69    66    70.00000  110.60000
   50    69    70    35.00000  132.10000
   52    61    62    35.00000  132.10000
   52    61    66    70.00000  110.60000
   61    52    53    35.00000  125.70000
   61    66    69    70.00000  106.50000
   66    61    62    35.00000  113.40000
   66    69    70    35.00000  113.40000
   69    50    52    70.00000  107.30000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.17500
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    71    72    58.35000  112.70000
   67    71    89    58.35000  112.70000
   67    71    75    58.35000  112.70000
   67    40    82    58.35000  112.70000
   67    40    43    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    77    50.00000  109.50000
   71    89    84    58.35000  112.70000
   71    89    90    37.50000  110.70000
   71    89    91    50.00000  109.50000
   71    75    92    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    78    63.00000  111.10000
   72    77    80    83.00000  116.90000
   74    72    73    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   77    80    81    83.00000  123.40000
   77    80    84    81.00000  111.40000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    89    63.00000  111.10000
   84    80    81    80.00000  120.40000
   84    89    90    37.50000  110.70000
   84    89    91    50.00000  109.50000
   86    84    85    33.00000  107.80000
   89    71    72    58.35000  112.70000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    91    92    60.00000  109.50000
   91    89    90    35.00000  109.50000
   91    92    75    50.00000  109.50000
   91    92    93    50.00000  109.50000
   91    92    97    50.00000  109.50000
   92    75    76    37.50000  110.70000
   92    75    78    63.00000  111.10000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   75    71    72    58.35000  112.70000
   75    71    89    58.35000  112.70000
   75    78    79    80.00000  120.40000
   75    78    82    70.00000  116.00000
   78    75    76    35.00000  109.50000
   78    82    83    35.00000  109.50000
   78    82    40    63.00000  111.10000
   78    82    87    90.00000  109.61100
   82    78    79    80.00000  120.40000
   82    40    43    58.35000  112.70000
   82    87    88    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    71    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    40    50.00000  109.50000
   93    92    75    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    92    75    58.35000  112.70000
   97    92    93    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
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   79    78    82    83   0.00000  1.0 1.0
   79    78    82    40   0.30150 -1.0 2.0
   79    78    82    87   0.30150 -1.0 2.0
   82    40    43    44   0.15000  1.0 3.0
   82    40    43    45   0.15000  1.0 3.0
   82    40    43    46   0.15000  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    67   0.15000  1.0 3.0
   83    82    40    43   0.15000  1.0 3.0
   83    82    87    88   0.19450  1.0 3.0
   40    33    37    38   0.62750  1.0 1.0
   40    33    37    38  -0.30950 -1.0 2.0
   40    33    37    38   0.27300  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41  -0.95700  1.0 1.0
   40    33    37    41  -0.18200 -1.0 2.0
   40    33    37    41   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    54   0.56750  1.0 1.0
   40    33   -51    54  -0.07550 -1.0 2.0
   40    33   -51    54   0.20000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   0.20000  1.0 3.0
   40    67    71    72   0.56750  1.0 1.0
   40    67    71    72  -0.07550 -1.0 2.0
   40    67    71    72   0.20000  1.0 3.0
   40    67    71    89   0.56750  1.0 1.0
   40    67    71    89  -0.07550 -1.0 2.0
   40    67    71    89   0.20000  1.0 3.0
   40    67   -71    75   0.56750  1.0 1.0
   40    67   -71    75  -0.07550 -1.0 2.0
   40    67   -71    75   0.20000  1.0 3.0
   40    82    87    88  -0.11600  1.0 1.0
   40    82    87    88  -0.09450 -1.0 2.0
   40    82    87    88   0.21250  1.0 3.0
   87    82    40    33   0.86500  1.0 1.0
   87    82    40    33  -0.17500 -1.0 2.0
   87    82    40    33   0.20800  1.0 3.0
   87    82    40    67   0.86500  1.0 1.0
   87    82    40    67  -0.17500 -1.0 2.0
   87    82    40    67   0.20800  1.0 3.0
   87    82    40    43   0.86500  1.0 1.0
   87    82    40    43  -0.17500 -1.0 2.0
   87    82    40    43   0.20800  1.0 3.0
   93    92    75    71   0.56750  1.0 1.0
   93    92    75    71  -0.07550 -1.0 2.0
   93    92    75    71   0.20000  1.0 3.0
   93    92    75    76   0.15000  1.0 3.0
   93    92    75    78  -0.95700  1.0 1.0
   93    92    75    78  -0.18200 -1.0 2.0
   93    92    75    78   0.29450  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   97    92    75    71   0.56750  1.0 1.0
   97    92    75    71  -0.07550 -1.0 2.0
   97    92    75    71   0.20000  1.0 3.0
   97    92    75    76   0.15000  1.0 3.0
   97    92    75    78  -0.95700  1.0 1.0
   97    92    75    78  -0.18200 -1.0 2.0
   97    92    75    78   0.29450  1.0 3.0
   97    92    93    94   0.15000  1.0 3.0
   97    92    93    95   0.15000  1.0 3.0
   97    92    93    96   0.15000  1.0 3.0
   57    51    54    55   0.15000  1.0 3.0
   57    51    54    56   0.15000  1.0 3.0
   57    51    54    63   0.56750  1.0 1.0
   57    51    54    63  -0.07550 -1.0 2.0
   57    51    54    63   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
   36    30    34    35  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   52    69    50    48   4.00000 -1.0 2.0
   61    53    52    50   1.10000 -1.0 2.0
   66    62    61    52   1.10000 -1.0 2.0
   66    70    69    50   1.10000 -1.0 2.0
   77    84    80    81  10.50000 -1.0 2.0
   75    82    78    79  10.50000 -1.0 2.0
END
