* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    132    207     380
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02105    86.36433   -74.83172
    3     1 S   H    _H1_     3     1.02048    93.94574    33.67817
    4     1 S   H    _H2_     4     1.02166    33.37092   152.35625
    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     1.08611   110.43906    58.89593
   26    24 S   HC   HB22    34     1.08669   109.83319   178.93210
   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   CO   _C21    36     1.84409   100.84413   179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C22    37     1.53331   107.99025   -79.99353
   38    37 S   HC   _H12    38     1.09464   112.62398    61.94786
   39    37 S   HC   _H13    39     1.09794   109.76823   179.96044
   40    37 S   HC   _H14    40     1.09596   112.00984   -62.12232
   41    33 S   OH   _O39    41     1.43176   110.81280   166.03258
   42    41 S   HO   _H15    42     0.97217   106.82447    56.13565
   43    33 S   OS   _O38    43     1.44004   113.97970    36.67410
   44    43 S   CA   _C19    44     1.36472   122.02167    91.78160
   45    44 S   CA   _C18    45     1.39637   119.41664   150.01502
   46    45 S   HA   _H10    46     1.08763   119.93587     0.00000
   47    44 S   CA   _C20    73     1.39724   119.28149   -29.99394
   48    47 S   HA   _H11    74     1.08418   121.94032    -0.04846
   49    45 S   CA   _C17    47     1.40170   121.07293  -180.00000
   50    49 S   HA   _H9_    48     1.08620   120.07753  -179.96574
   51    49 S   C56B _C16    49     1.40712   118.80117     0.02798
   52    51 S   C5B  _C13    50     1.41807   136.11229   179.94766
   53    52 S   C5A  _C14    51     1.37176   105.83690  -179.96574
   54    52 S   CO4  _C12    62     1.44633   133.92709     0.07133
   55    54 S   O    _O36    63     1.22547   123.60064    -0.03956
   56    53 S   CA   _C9_    52     1.43412   125.59998  -179.96044
   57    53 S   OA   _O37    71     1.35072   112.28393     0.00000
   58    56 S   CA   _C8_    53     1.39143   125.50125  -179.96044
   59    58 S   HA   _H7_    54     1.08681   121.30147    -0.05595
   60    51 S   C56A _C15    72     1.39793   118.31607     0.00000
   61    58 S   CA   _C7_    55     1.39763   119.28137   179.96044
   62    61 S   HA   _H6_    56     1.08713   119.43047   179.96044
   63    61 S   CA   _C6_    57     1.40106   120.61931    -0.06256
   64    63 S   CA   _C11    58     1.39403   120.40209     0.05595
   65    64 S   HA   _H8_    59     1.08524   120.69276   179.95577
   66    63 S   OS   _O34    64     1.36238   119.74236   179.98022
   67    56 S   CA   _C10    60     1.40342   114.91680    -0.04846
   68    66 S   CO4  _C5_    65     1.40441   114.10806   -89.96205
   69    68 S   O    _O33    66     1.22380   125.76339    -0.08393
   70    67 S   OS   _O35    61     1.43215   120.61572     0.04846
   71    68 S   CT   _C4_    67     1.50005   109.97207  -180.00000
   72    71 S   HC   _H3_    68     1.09284   109.82562   -90.14778
   73    71 S   HC   _H4_    69     1.09336   109.29175   150.89878
   74    71 S   HC   _H5_    70     1.09303   109.82838    31.81790
  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
  10   2   1   1   7   4   3   2   3   1   7   9   8   4   7   3
   7   3   8   9  11   7   2  11   3   8   4   1   7   3   8   5
   3   7   1   5   4   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    41    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    44    45    47  
   35    36  
   36  
    0  
   38    39    40    41    42    43    44  
   39    40    41    43  
   40    41    43  
   41    43  
   42    43    44  
   43  
   44    45    46    49    60    47    48  
   45    46    49    50    51    57    60    47    48  
   46    49    50    51    52    60    47    48  
   49    50    51    47  
   48    49    51    52    53    57    60  
   51    57    60  
   50    51    52    53    54    57    60  
   51    52    60  
   52    53    56    70    54    55    57    60  
   53    56    58    67    70    54    55    57    60  
   56    58    59    61    64    67    70    54    55    57    60  
   55    57    60    56    64    67    70  
   67    70  
   58    59    61    62    63    64    65    67    70    57    60  
   60    58    67  
   59    61    62    63    64    67    70    66  
   61    62    63    67  
    0  
   62    63    64    65    67    66    68  
   63    64    66  
   64    65    67    70    66    68    69    71  
   65    67    70    66    68  
   67    70    66  
   68    69    71    72    73    74    67  
   70  
   69    71    72    73    74  
   71    72    73    74  
    0  
   72    73    74  
   73    74  
   74  
    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  -0.175000   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   0.372200   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   2.9000   0.1400  -0.300000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5500   0.0700   0.127000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5500   0.0700  -0.192500   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.157100   1.3810   1.2100   0.030040813   0.268726247
   47   3.5500   0.0700  -0.324500   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.195500   1.3810   1.2100   0.030040813   0.268726247
   49   3.5500   0.0700  -0.303800   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.193000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.258100   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.387700   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.251300   2.5000   1.7750   0.001000000  -0.843144165
   54   3.7500   0.1050   0.625000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0000   0.1700  -0.311500   1.7000   1.5000   0.001000000  -0.126889456
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700   0.323000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.060000   1.3810   1.2100   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   250.000  1.527
   33    41   380.000  1.407
   33    43   320.000  1.380
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   553.000  0.945
   43    44   450.000  1.364
   44    45   469.000  1.400
   44    47   469.000  1.400
   45    46   367.000  1.080
   45    49   469.000  1.400
   49    50   367.000  1.080
   49    51   469.000  1.404
   51    52   380.000  1.440
   51    60   447.000  1.419
   52    53   520.000  1.370
   52    54   345.000  1.446
   53    56   365.000  1.450
   53    57   340.000  1.360
   56    58   469.000  1.400
   56    67   469.000  1.400
   58    59   367.000  1.080
   58    61   469.000  1.400
   61    62   367.000  1.080
   61    63   469.000  1.400
   63    64   469.000  1.400
   63    66   450.000  1.364
   64    65   367.000  1.080
   64    67   469.000  1.400
   67    70   450.000  1.364
   70    54   214.000  1.327
   54    55   570.000  1.229
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   57    60   425.000  1.380
   60    47   469.000  1.400
   47    48   367.000  1.080
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    41    85.00000  114.68000
   29    33    43    85.00000  114.68000
   33    37    38    45.00000  108.72000
   33    37    39    45.00000  108.72000
   33    37    40    45.00000  108.72000
   33    41    42    70.00000  107.92000
   33    43    44   100.00000  112.36700
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    90.00000  110.19100
   43    33    37    90.00000  108.56700
   43    33    41   110.00000  112.08000
   43    44    45    70.00000  120.00000
   43    44    47    70.00000  120.00000
   44    45    46    35.00000  120.00000
   44    45    49    63.00000  120.00000
   44    47    60    85.00000  120.00000
   44    47    48    35.00000  120.00000
   45    49    50    35.00000  120.00000
   45    49    51    63.00000  120.00000
   49    45    46    35.00000  120.00000
   49    51    52    50.00000  134.85500
   49    51    60    85.00000  116.20000
   51    49    50    35.00000  120.00000
   51    52    53    80.00000  105.82900
   51    52    54    50.00000  130.14000
   51    60    57   100.00000  108.43400
   51    60    47    85.00000  122.70000
   52    53    56    55.00000  129.85000
   52    53    57    70.00000  108.00000
   52    54    70    90.00000  113.34000
   52    54    55    75.00000  126.12000
   53    56    58    65.00000  121.65900
   53    56    67    65.00000  121.65900
   53    57    60   110.00000  105.28000
   56    58    59    35.00000  120.00000
   56    58    61    63.00000  120.00000
   56    67    64    63.00000  120.00000
   56    67    70    70.00000  120.00000
   58    61    62    35.00000  120.00000
   58    61    63    63.00000  120.00000
   61    58    59    35.00000  120.00000
   61    63    64    63.00000  120.00000
   61    63    66    70.00000  120.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  120.00000
   63    64    67    63.00000  120.00000
   63    66    68    85.00000  115.98000
   64    67    70    70.00000  120.00000
   67    56    58    63.00000  120.00000
   67    64    65    35.00000  120.00000
   67    70    54    85.00000  115.98000
   70    54    55    83.00000  123.40000
   54    52    53    60.00000  123.95000
   66    63    64    70.00000  120.00000
   66    68    69    83.00000  123.40000
   66    68    71    81.00000  111.40000
   68    71    72    35.00000  109.50000
   68    71    73    35.00000  109.50000
   68    71    74    35.00000  109.50000
   71    68    69    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   57    53    56    80.00000  116.57000
   57    60    47    70.00000  124.10000
   60    51    52    80.00000  107.43600
   60    47    48    35.00000  120.00000
   47    44    45    63.00000  120.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  1.0 3.0
   24    29    33    43   0.13850  1.0 1.0
   24    29    33    43  -1.34450 -1.0 2.0
   24    29    33    43   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   29    33    43    44   0.14700  1.0 1.0
   29    33    43    44  -1.16150 -1.0 2.0
   29    33    43    44   0.48700  1.0 3.0
   33    43    44    45   1.63200 -1.0 2.0
   33    43    44    47   1.63200 -1.0 2.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    33    43    44  -0.32850  1.0 1.0
   37    33    43    44  -0.35800 -1.0 2.0
   37    33    43    44   0.33950  1.0 3.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    39   0.23400  1.0 3.0
   41    33    37    40   0.23400  1.0 3.0
   41    33    43    44  -0.25600  1.0 1.0
   41    33    43    44  -0.40050 -1.0 2.0
   41    33    43    44   0.34700  1.0 3.0
   43    33    37    38   0.23400  1.0 3.0
   43    33    37    39   0.23400  1.0 3.0
   43    33    37    40   0.23400  1.0 3.0
   43    33    41    42  -0.50000  1.0 1.0
   43    33    41    42  -0.73950 -1.0 2.0
   43    33    41    42   0.17150  1.0 3.0
   43    44    45    46   3.62500 -1.0 2.0
   43    44    45    49   3.62500 -1.0 2.0
   43    44    47    60   3.62500 -1.0 2.0
   43    44    47    48   3.62500 -1.0 2.0
   44    45    49    50   3.62500 -1.0 2.0
   44    45    49    51   3.62500 -1.0 2.0
   45    44    47    60   3.62500 -1.0 2.0
   45    44    47    48   3.62500 -1.0 2.0
   45    49    51    52   3.62500 -1.0 2.0
   45    49   -51    60   3.50000 -1.0 2.0
   46    45    49    50   3.62500 -1.0 2.0
   46    45    49    51   3.62500 -1.0 2.0
   49    51    52    53   3.62500 -1.0 2.0
   49    51    52    54   3.62500 -1.0 2.0
   49    51    60    57   3.62500 -1.0 2.0
   49    51    60    47   3.00000 -1.0 2.0
   50    49    51    52   3.62500 -1.0 2.0
   50    49    51    60   3.50000 -1.0 2.0
   51    52    53    56   3.62500 -1.0 2.0
   51    52   -53    57   3.62500 -1.0 2.0
   51    52    54    70   0.98750 -1.0 2.0
   51    52    54    55   1.05000 -1.0 2.0
   51    60   -47    44   3.62500 -1.0 2.0
   51    60    47    48   3.62500 -1.0 2.0
   52    51   -60    57   3.62500 -1.0 2.0
   52    51    60    47   3.00000 -1.0 2.0
   52    53    56    58  -0.19450  1.0 1.0
   52    53    56    58   0.63300 -1.0 2.0
   52    53    56    58   0.07450  1.0 3.0
   52    53    56    67  -0.19450  1.0 1.0
   52    53    56    67   0.63300 -1.0 2.0
   52    53    56    67   0.07450  1.0 3.0
   52    53   -57    60   3.62500 -1.0 2.0
   53    52    54    70   0.98750 -1.0 2.0
   53    52    54    55   1.05000 -1.0 2.0
   53    56    58    59   3.62500 -1.0 2.0
   53    56    58    61   3.62500 -1.0 2.0
   53    56    67    64   3.62500 -1.0 2.0
   53    56   -67    70   3.62500 -1.0 2.0
   53    57   -60    51   3.62500 -1.0 2.0
   53    57    60    47   3.62500 -1.0 2.0
   56    53    57    60   3.62500 -1.0 2.0
   56    58    61    62   3.62500 -1.0 2.0
   56    58    61    63   3.62500 -1.0 2.0
   56    67    70    54   0.01300  1.0 1.0
   56    67    70    54   0.97950 -1.0 2.0
   56    67    70    54  -0.55700  1.0 3.0
   58    56    67    64   3.62500 -1.0 2.0
   58    56    67    70   3.62500 -1.0 2.0
   58    61   -63    64   3.62500 -1.0 2.0
   58    61    63    66   3.62500 -1.0 2.0
   59    58    61    62   3.62500 -1.0 2.0
   59    58    61    63   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   61    63    64    67   3.62500 -1.0 2.0
   61    63    66    68   0.01300  1.0 1.0
   61    63    66    68   0.97950 -1.0 2.0
   61    63    66    68  -0.55700  1.0 3.0
   62    61    63    64   3.62500 -1.0 2.0
   62    61    63    66   3.62500 -1.0 2.0
   63    64   -67    56   3.62500 -1.0 2.0
   63    64    67    70   3.62500 -1.0 2.0
   63    66    68    69   3.00000 -1.0 2.0
   63    66    68    71   0.75600  1.0 1.0
   63    66    68    71   1.63000 -1.0 2.0
   64    63    66    68   0.01300  1.0 1.0
   64    63    66    68   0.97950 -1.0 2.0
   64    63    66    68  -0.55700  1.0 3.0
   64    67    70    54   0.01300  1.0 1.0
   64    67    70    54   0.97950 -1.0 2.0
   64    67    70    54  -0.55700  1.0 3.0
   65    64    67    56   3.62500 -1.0 2.0
   65    64    67    70   3.62500 -1.0 2.0
   67    56    58    59   3.62500 -1.0 2.0
   67    56   -58    61   3.62500 -1.0 2.0
   67    70   -54    52   2.00000 -1.0 2.0
   67    70    54    55   3.00000 -1.0 2.0
   54    52   -53    56   3.62500 -1.0 2.0
   54    52    53    57   3.62500 -1.0 2.0
   66    63    64    65   3.62500 -1.0 2.0
   66    63    64    67   3.62500 -1.0 2.0
   66    68    71    72   0.00000  1.0 1.0
   66    68    71    73   0.00000  1.0 1.0
   66    68    71    74   0.00000  1.0 1.0
   69    68    71    72   0.00000  1.0 1.0
   69    68    71    73   0.00000  1.0 1.0
   69    68    71    74   0.00000  1.0 1.0
   57    53    56    58  -0.02050  1.0 1.0
   57    53    56    58   0.57800 -1.0 2.0
   57    53    56    58  -0.12500  1.0 3.0
   57    53    56    67  -0.02050  1.0 1.0
   57    53    56    67   0.57800 -1.0 2.0
   57    53    56    67  -0.12500  1.0 3.0
   57    60    47    44   3.62500 -1.0 2.0
   57    60    47    48   3.62500 -1.0 2.0
   60    51   -52    53   3.50000 -1.0 2.0
   60    51    52    54   3.62500 -1.0 2.0
   47    44    45    46   3.62500 -1.0 2.0
   47    44   -45    49   3.62500 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   45    47    44    43   4.00000 -1.0 2.0
   49    46    45    44   1.10000 -1.0 2.0
   51    50    49    45   1.10000 -1.0 2.0
   52    60    51    49   4.00000 -1.0 2.0
   53    54    52    51   4.00000 -1.0 2.0
   56    57    53    52   4.00000 -1.0 2.0
   58    67    56    53   4.00000 -1.0 2.0
   61    59    58    56   1.10000 -1.0 2.0
   63    62    61    58   1.10000 -1.0 2.0
   64    66    63    61   4.00000 -1.0 2.0
   67    65    64    63   1.10000 -1.0 2.0
   64    70    67    56   4.00000 -1.0 2.0
   52    70    54    55  10.50000 -1.0 2.0
   66    71    68    69  10.50000 -1.0 2.0
   57    47    60    51   4.00000 -1.0 2.0
   60    48    47    44   1.10000 -1.0 2.0
END
