* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    136    207     397
    1     0 S   NP   _N1_     1    28.57741    96.01908   -23.09940
    2     1 S   H    _HN1     2     1.02788   101.32608   -91.08274
    3     1 S   H    _H1_     3     1.02949    75.25856    15.13297
    4     1 S   H    _H2_     4     1.02830    36.87046   164.16487
    5     1 S   CT   _CA1     5     1.50109   141.07916   119.52225
    6     5 S   HC   _HA1     6     1.09573   105.20706    86.09789
    7     5 S   CO3  _C1_     7     1.53794   112.40643   -34.16662
    8     7 S   O2Z  _O11     8     1.26371   115.01819   -44.03081
    9     7 S   O2Z  _O12     9     1.26235   114.94007   135.06922
   10     5 S   CT   _CB1    10     1.53075   107.41918  -155.92579
   11    10 S   HC   HB11    11     1.09833   109.40463   -49.67077
   12    10 S   HC   HB12    12     1.09814   110.44156    66.93736
   13    10 S   CT   _CG1    13     1.52995   112.59754  -170.63599
   14    13 S   HC   HG11    14     1.09585   110.63130   -64.90621
   15    13 S   HC   HG12    15     1.09666   109.80499    54.33603
   16    13 S   C    _CD1    16     1.51797   112.18516   174.81012
   17    16 S   O    _OE1    17     1.22737   123.26684     6.47866
   18    16 S   N    _N2_    18     1.38636   111.69432  -173.64270
   19    18 S   H    _HN2    19     1.01591   119.01925     1.81725
   20    18 S   CT1  _CA2    20     1.46229   123.40832   178.25527
   21    20 S   HC   _HA2    21     1.09736   109.31850     3.86513
   22    20 S   C    _C2_    22     1.53583   108.94252  -111.70708
   23    22 S   O    _O2_    23     1.23070   122.22442  -150.02931
   24    20 S   CT   _CB2    32     1.53428   111.43960   125.77476
   25    24 S   HC   HB21    33     1.09453   109.46952    56.83552
   26    24 S   HC   HB22    34     1.09435   109.87441   175.68285
   27    22 S   N    _N3_    24     1.38315   113.81124    37.52574
   28    27 S   H    _HN3    25     1.01571   119.56998    -3.52426
   29    24 S   S    _SG2    35     1.83250   111.05719   -64.44318
   30    27 S   CT   _CA3    26     1.45278   123.21999   177.10734
   31    30 S   HC   HA31    27     1.09549   107.52777   -64.28494
   32    30 S   HC   HA32    28     1.09557   107.96961    52.15477
   33    29 S   CT   _C16    36     1.87373   101.46726   175.19609
   34    30 S   CO3  _C3_    29     1.52958   114.07591   174.14268
   35    34 S   O2Z  _O31    30     1.26377   116.07294    -0.39515
   36    34 S   O2Z  _O32    31     1.26428   114.41258   179.66370
   37    33 S   CM   _C10    37     1.49441   107.99923   -63.25912
   38    37 S   HC   _H28    38     1.09384   114.18395   -59.04772
   39    33 S   CT   _C21    55     1.56600   108.19626   175.56262
   40    39 S   HC   _H41    56     1.09908   108.85286   -61.19864
   41    37 S   CMA  _C11    39     1.35023   129.26666   121.48309
   42    41 S   OM   _O19    40     1.26680   123.58958   179.85329
   43    39 S   CT   _C20    57     1.54619   113.01409   178.06963
   44    43 S   HC   _H39    58     1.09603   110.42049    49.77094
   45    43 S   HC   _H40    59     1.09393   110.47489   -67.57331
   46    39 S   OS   _O24    71     1.45488   108.99003    59.16400
   47    41 S   CA   _C6_    41     1.52160   115.06503    -0.28939
   48    43 S   CM   _C13    60     1.50689   111.94813   168.51079
   49    48 S   HC   _H29    61     1.08962   113.98914   -74.38716
   50    46 S   CO4  _C15    72     1.36183   118.49225  -130.57009
   51    50 S   O    _O21    73     1.22298   126.73261    -0.13706
   52    47 S   CA   _C7_    42     1.41501   122.28326    -2.08121
   53    48 S   CM   _C14    62     1.34671   127.89653   106.25767
   54    50 S   CT   _C19    74     1.49842   109.30406   179.95154
   55    54 S   HC   _H36    75     1.09295   109.81953   -61.04770
   56    54 S   HC   _H37    76     1.09375   109.36953   179.89721
   57    54 S   HC   _H38    77     1.09292   109.82101    60.86082
   58    52 S   CA   _C9_    43     1.41484   120.55586  -179.38643
   59    33 S   CO4  _C12    53     1.52081   106.64181    59.21437
   60    59 S   O    _O20    54     1.23139   121.10295    58.03156
   61    53 S   CT   _C17    63     1.50550   120.41913   178.92626
   62    61 S   HC   _H30    64     1.09498   110.26497   119.02537
   63    61 S   HC   _H31    65     1.09496   110.21077  -121.15209
   64    61 S   HC   _H32    66     1.09511   112.42058    -1.08787
   65    53 S   CT   _C18    67     1.50269   125.19911    -1.95625
   66    65 S   HC   _H33    68     1.09480   110.08777   114.65782
   67    65 S   HC   _H34    69     1.09202   113.60551    -6.46645
   68    65 S   HC   _H35    70     1.09546   110.01425  -126.05920
   69    58 S   CA   _C5_    44     1.39046   121.33440    -0.22206
   70    69 S   HA   _H27    45     1.08627   120.68381  -179.94405
   71    58 S   OH   _O23    51     1.37150   123.97094   179.89913
   72    71 S   HO   _H43    52     0.97324   109.01579    -1.08264
   73    69 S   CA   _C4_    46     1.38274   119.38893    -0.00000
   74    73 S   HA   _H26    47     1.08671   119.78425  -179.91844
   75    47 S   CA   _C8_    48     1.42392   121.65946   178.24811
   76    75 S   OH   _O22    49     1.37520   123.49613    -0.56128
   77    76 S   HO   _H42    50     0.97526   107.50630     0.64468
  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  11   5   4   3
  17   2   1   1  12   5  15   7   8   3  10   5   4   8  11  10
   3   5   4  10   8   3   2   1   1   9   4   1   7   3   2   1
   3   2   1   1   7   4   2   1   4   2   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    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    59    60    39    40    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    52    58    59    60    39    40    43    44    45    48    46    50  
   35    36  
   36  
    0  
   38    41    42    47    52    75    59    60    39    40    43    46  
   41    42    47    59    39  
   40    43    44    45    48    49    53    46    50    51    54    41    52    59    60  
   43    44    45    48    46    50    59  
   42    47    52    58    73    75    76    59  
   47    52    75  
   44    45    48    49    53    61    65    46    50    59  
   45    48    49    53    46  
   48    49    53    46  
   50    51    54    55    56    57    48    59  
   52    58    69    73    74    75    76    77    71    59    60  
   49    53    61    62    63    64    65    66    67    68  
   53    61    65  
   51    54    55    56    57  
   54    55    56    57  
   58    69    70    73    75    76    71    72    59    60  
   61    62    63    64    65    66    67    68  
   55    56    57  
   56    57  
   57  
    0  
   69    70    73    74    75    71    72    59    60  
   60    69    71    75  
    0  
   62    63    64    65    66    67    68  
   63    64    65  
   64    65  
   65  
   66    67    68  
   67    68  
   68  
    0  
   70    73    74    75    76    71    72  
   73    74    75    71  
   72    73  
    0  
   74    75    76    77  
   75    76  
   76    77  
   77  
    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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    59   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    47   320.000  1.460
   47    52   469.000  1.400
   47    75   469.000  1.400
   52    58   469.000  1.400
   52    59   310.000  1.470
   58    69   469.000  1.400
   58    71   450.000  1.364
   69    70   367.000  1.080
   69    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   450.000  1.364
   76    77   553.000  0.945
   71    72   553.000  0.945
   59    60   570.000  1.229
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    61   317.000  1.510
   53    65   317.000  1.510
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   46    50   214.000  1.327
   50    51   570.000  1.229
   50    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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  112.20000
   29    33    59    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    59    52    65.00000  115.47100
   33    59    60    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    47    60.00000  123.20500
   41    37    38    40.00000  120.50800
   41    47    52    60.00000  120.93500
   41    47    75    60.00000  120.93500
   47    41    42    85.00000  114.86500
   47    52    58    63.00000  120.00000
   47    52    59    60.00000  119.52600
   47    75    73    63.00000  120.00000
   47    75    76    70.00000  120.00000
   52    58    69    63.00000  120.00000
   52    58    71    70.00000  120.00000
   52    59    60    75.00000  123.78400
   58    69    70    35.00000  120.00000
   58    69    73    63.00000  120.00000
   58    71    72    35.00000  113.00000
   69    73    74    35.00000  120.00000
   69    73    75    63.00000  120.00000
   73    69    70    35.00000  120.00000
   73    75    76    70.00000  120.00000
   75    47    52    63.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    77    35.00000  113.00000
   71    58    69    70.00000  120.00000
   59    33    37    70.00000  109.06800
   59    52    58    60.00000  119.52600
   39    33    37    70.00000  112.02700
   39    33    59    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    70.00000  112.02700
   39    46    50    83.00000  116.90000
   43    39    40    37.50000  110.70000
   43    48    49    35.00000  117.00000
   43    48    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    61    70.00000  124.00000
   48    53    65    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    61    62    35.00000  109.50000
   53    61    63    35.00000  109.50000
   53    61    64    35.00000  109.50000
   53    65    66    35.00000  109.50000
   53    65    67    35.00000  109.50000
   53    65    68    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   65    53    61    65.00000  117.92700
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    43    50.00000  109.50000
   46    50    51    83.00000  123.40000
   46    50    54    81.00000  111.40000
   50    54    55    35.00000  109.50000
   50    54    56    35.00000  109.50000
   50    54    57    35.00000  109.50000
   54    50    51    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  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   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    59    52   0.65300  1.0 1.0
   29    33    59    52  -0.03850 -1.0 2.0
   29    33    59    52   0.33900  1.0 3.0
   29    33    59    60   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    48   0.34400  1.0 1.0
   33    39    43    48   0.09450 -1.0 2.0
   33    39    43    48   0.11100  1.0 3.0
   33    39    46    50  -0.25900  1.0 1.0
   33    39    46    50  -0.47000 -1.0 2.0
   33    39    46    50   0.11750  1.0 3.0
   37    33    59    52   0.65300  1.0 1.0
   37    33    59    52  -0.03850 -1.0 2.0
   37    33    59    52   0.33900  1.0 3.0
   37    33    59    60   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    46   0.61850  1.0 1.0
   37    33    39    46  -0.22750 -1.0 2.0
   37    33    39    46   0.15300  1.0 3.0
   37    41   -47    52   0.15800  1.0 1.0
   37    41   -47    52   1.85350 -1.0 2.0
   37    41   -47    52  -0.48700  1.0 3.0
   37    41    47    75   0.15800  1.0 1.0
   37    41    47    75   1.85350 -1.0 2.0
   37    41    47    75  -0.48700  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    47    52    58   3.62500 -1.0 2.0
   41    47    52    59   3.62500 -1.0 2.0
   41    47    75    73   3.62500 -1.0 2.0
   41    47    75    76   3.62500 -1.0 2.0
   42    41    47    52  -0.01750  1.0 1.0
   42    41    47    52  -0.32000 -1.0 2.0
   42    41    47    52   0.00600  1.0 3.0
   42    41    47    75  -0.01750  1.0 1.0
   42    41    47    75  -0.32000 -1.0 2.0
   42    41    47    75   0.00600  1.0 3.0
   47    52    58    69   3.62500 -1.0 2.0
   47    52    58    71   3.62500 -1.0 2.0
   47    52   -59    33   2.26350  1.0 1.0
   47    52   -59    33   0.76750 -1.0 2.0
   47    52   -59    33   0.22500  1.0 3.0
   47    52    59    60   1.05000 -1.0 2.0
   47    75    76    77   0.84100 -1.0 2.0
   52    47    75    73   3.62500 -1.0 2.0
   52    47    75    76   3.62500 -1.0 2.0
   52    58    69    70   3.62500 -1.0 2.0
   52    58   -69    73   3.62500 -1.0 2.0
   52    58    71    72   0.84100 -1.0 2.0
   58    52    59    33   2.26350  1.0 1.0
   58    52    59    33   0.76750 -1.0 2.0
   58    52    59    33   0.22500  1.0 3.0
   58    52    59    60   1.05000 -1.0 2.0
   58    69    73    74   3.62500 -1.0 2.0
   58    69    73    75   3.62500 -1.0 2.0
   69    58    71    72   0.84100 -1.0 2.0
   69    73   -75    47   3.62500 -1.0 2.0
   69    73    75    76   3.62500 -1.0 2.0
   70    69    73    74   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    75    76    77   0.84100 -1.0 2.0
   74    73    75    47   3.62500 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   75    47   -52    58   3.62500 -1.0 2.0
   75    47    52    59   3.62500 -1.0 2.0
   71    58    69    70   3.62500 -1.0 2.0
   71    58    69    73   3.62500 -1.0 2.0
   59    33    37    38   0.00000  1.0 1.0
   59    33   -37    41  -0.51250  1.0 1.0
   59    33   -37    41  -0.88800 -1.0 2.0
   59    33   -37    41   0.08850  1.0 3.0
   59    33    39    40  -0.11250  1.0 3.0
   59    33    39    43  -0.95700  1.0 1.0
   59    33    39    43  -0.18200 -1.0 2.0
   59    33    39    43   0.29450  1.0 3.0
   59    33    39    46  -0.09450  1.0 1.0
   59    33    39    46  -1.12950 -1.0 2.0
   59    33    39    46   0.54000  1.0 3.0
   59    52    58    69   3.62500 -1.0 2.0
   59    52    58    71   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    59    52   0.05850 -1.0 2.0
   39    33    59    52   0.17250  1.0 3.0
   39    33    59    60   0.30150 -1.0 2.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    53   0.09850  1.0 1.0
   39    43    48    53   0.15250 -1.0 2.0
   39    43    48    53  -0.50650  1.0 3.0
   39    46    50    51   3.00000 -1.0 2.0
   39    46    50    54   1.63150  1.0 1.0
   39    46    50    54   2.92000 -1.0 2.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   40    39    46    50   0.08050  1.0 3.0
   43    39    46    50  -0.25900  1.0 1.0
   43    39    46    50  -0.47000 -1.0 2.0
   43    39    46    50   0.11750  1.0 3.0
   43    48    53    61   7.00000 -1.0 2.0
   43    48    53    65   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.33100  1.0 3.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    61    62   0.00000  1.0 1.0
   48    53    61    63   0.00000  1.0 1.0
   48    53    61    64   0.00000  1.0 1.0
   48    53    65    66   0.00000  1.0 1.0
   48    53    65    67   0.00000  1.0 1.0
   48    53    65    68   0.00000  1.0 1.0
   49    48    53    61   7.00000 -1.0 2.0
   49    48    53    65   7.00000 -1.0 2.0
   61    53    65    66   0.34800  1.0 3.0
   61    53    65    67   0.34800  1.0 3.0
   61    53    65    68   0.34800  1.0 3.0
   65    53    61    62   0.34800  1.0 3.0
   65    53    61    63   0.34800  1.0 3.0
   65    53    61    64   0.34800  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    48   0.61850  1.0 1.0
   46    39    43    48  -0.22750 -1.0 2.0
   46    39    43    48   0.15300  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    56   0.00000  1.0 1.0
   46    50    54    57   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    56   0.00000  1.0 1.0
   51    50    54    57   0.00000  1.0 1.0
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
   33    38    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   52    75    47    41   4.00000 -1.0 2.0
   58    59    52    47   4.00000 -1.0 2.0
   69    71    58    52   4.00000 -1.0 2.0
   73    70    69    58   1.10000 -1.0 2.0
   75    74    73    69   1.10000 -1.0 2.0
   73    76    75    47   4.00000 -1.0 2.0
   33    52    59    60  10.50000 -1.0 2.0
   43    49    48    53  15.00000 -1.0 2.0
   61    65    53    48  15.00000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
END
