* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    133    202     394
    1     0 S   NP   _N1_     1    30.62620   100.91721   -22.39470
    2     1 S   H    _HN1     2     1.03391   143.72302   143.57342
    3     1 S   H    _H1_     3     1.02918    95.28063   -86.20252
    4     1 S   H    _H2_     4     1.02698    37.20515   161.06536
    5     1 S   CT   _CA1     5     1.50143    84.58503    24.51338
    6     5 S   HC   _HA1     6     1.09507   105.22640    90.28862
    7     5 S   CO3  _C1_     7     1.53745   112.95203   -30.00458
    8     7 S   O2Z  _O11     8     1.26386   115.24219   -38.59762
    9     7 S   O2Z  _O12     9     1.26301   114.99017   140.50115
   10     5 S   CT   _CB1    10     1.52858   106.97402  -151.34652
   11    10 S   HC   HB11    11     1.09641   109.39757   -42.54713
   12    10 S   HC   HB12    12     1.09832   110.33988    73.65777
   13    10 S   CT   _CG1    13     1.52869   113.26500  -163.63703
   14    13 S   HC   HG11    14     1.09500   111.33029   -58.71978
   15    13 S   HC   HG12    15     1.09617   110.69767    60.88964
   16    13 S   C    _CD1    16     1.51486   109.93659  -178.37599
   17    16 S   O    _OE1    17     1.22849   121.71042   104.39459
   18    16 S   N    _N2_    18     1.38366   112.93869   -74.15174
   19    18 S   H    _HN2    19     1.01812   119.34802    -1.55280
   20    18 S   CT1  _CA2    20     1.46137   123.51388   175.45666
   21    20 S   HC   _HA2    21     1.09717   109.37247    -1.63925
   22    20 S   C    _C2_    22     1.53670   109.16826  -117.35679
   23    22 S   O    _O2_    23     1.23114   122.03803  -154.54203
   24    20 S   CT   _CB2    32     1.53250   111.10130   120.44028
   25    24 S   HC   HB21    33     1.09444   109.24745    55.72138
   26    24 S   HC   HB22    34     1.09496   110.80487   174.47714
   27    22 S   N    _N3_    24     1.38395   114.13405    32.86224
   28    27 S   H    _HN3    25     1.01547   119.41167    -3.36883
   29    24 S   S    _SG2    35     1.82998   111.34041   -65.87800
   30    27 S   CT   _CA3    26     1.45295   122.99797   178.05027
   31    30 S   HC   HA31    27     1.09559   107.32516   -66.29121
   32    30 S   HC   HA32    28     1.09566   108.03468    50.00023
   33    29 S   CT   _C11    36     1.84347    99.61611   166.87927
   34    33 S   HC   _H3_    37     1.09594   105.13445    49.10848
   35    30 S   CO3  _C3_    29     1.52952   114.48349   171.86583
   36    35 S   O2Z  _O31    30     1.26331   116.24188    -8.43778
   37    35 S   O2Z  _O32    31     1.26454   114.36269   171.73186
   38    33 S   CA   _C7_    38     1.52201   110.77925   165.70420
   39    33 S   CM   _C12    54     1.51264   109.47744   -69.93917
   40    39 S   HC   _H15    55     1.09106   115.74805   -53.56471
   41    38 S   CA   _C8_    39     1.40309   119.39212  -116.94774
   42    41 S   HA   _H12    40     1.08757   120.39761     0.01978
   43    39 S   CMA  _C13    56     1.35433   126.66106   124.54016
   44    43 S   OM   _O35    57     1.26770   125.79638     2.71152
   45    41 S   CA   _C9_    41     1.39400   120.69811  -179.83098
   46    45 S   HA   _H13    42     1.08612   119.32438  -179.98022
   47    43 S   OS   _O36    58     1.42060   109.40560  -178.17630
   48    45 S   CA   _C10    43     1.39416   119.69074     0.09279
   49    47 S   CT   _C14    59     1.43701   116.32008   144.21377
   50    49 S   HC   _H4_    60     1.09877   109.99057    47.20968
   51    48 S   CA   _C5_    44     1.39892   121.07894     0.08623
   52    48 S   OH   _O34    52     1.37046   119.80070  -179.97202
   53    52 S   HO   _H14    53     0.97199   108.72251    -0.24945
   54    49 S   CO3  _C19    61     1.54465   107.87880   161.16450
   55    54 S   O2Z  _O43    62     1.26682   114.58777  -154.02697
   56    54 S   O2Z  _O42    63     1.26373   116.69716    25.65190
   57    49 S   CT   _C15    64     1.54668   112.48241   -76.11230
   58    57 S   HC   _H5_    65     1.09653   108.03769    53.14381
   59    38 S   CA   _C6_    45     1.40965   121.91465    63.50356
   60    59 S   HA   _H11    46     1.08634   118.25358    -0.21940
   61    51 S   OS   _O33    47     1.37082   116.08768   179.93147
   62    57 S   CT   _C16    66     1.54660   115.76180   -67.62730
   63    62 S   HC   _H6_    67     1.09620   109.39647   -56.80643
   64    57 S   OH   _O41    77     1.43081   109.11845   168.92691
   65    64 S   HO   _H18    78     0.97238   107.37544   -52.74176
   66    61 S   CT   _C4_    48     1.42234   117.12425  -179.41717
   67    66 S   HC   _H8_    49     1.09430   107.73666   179.67135
   68    66 S   HC   _H9_    50     1.09501   111.16295    61.95273
   69    66 S   HC   _H10    51     1.09499   111.13845   -62.62731
   70    62 S   CT   _C17    68     1.53911   112.77691  -176.89840
   71    70 S   HC   _H7_    69     1.09671   109.32710    55.11112
   72    62 S   OH   _O40    75     1.42818   109.17289    61.31118
   73    72 S   HO   _H17    76     0.97416   106.62560  -172.93753
   74    70 S   CO3  _C18    70     1.53923   115.84290   175.37492
   75    74 S   O2Z  _O38    71     1.26717   114.37959  -176.49804
   76    74 S   O2Z  _O37    72     1.26175   116.76164     4.13664
   77    70 S   OH   _O39    73     1.43110   109.95684   -62.59222
   78    77 S   HO   _H16    74     0.97442   106.88745   178.78453
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   7   3   9   7
  12   7   9   3   1   6   2   1  11   6   3   1   4  12   7   3
   1   3   2   1   1   8   6   3   1   4   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    51    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    51    59    60    61    39    40    43  
   40    43    44    47    49    41    59  
   43    44    47  
   42    45    46    48    51    59    60    52  
   45    46    48    59  
   44    47    49    50    54    57  
   47    49  
   46    48    51    59    61    52    53  
   48    51    52  
   49    50    54    55    56    57    58    62    64  
   51    59    60    61    66    52    53  
   50    54    55    56    57    58    62    63    70    72    64    65  
   54    55    56    57    58    62    64  
   59    60    61    66    67    68    69    52    53  
   53    59    61  
    0  
   55    56    57    58    62    64  
   56    57  
   57  
   58    62    63    70    71    74    77    72    73    64    65  
   62    63    70    72    64    65  
   60    61    66  
   61  
   66    67    68    69  
   63    70    71    74    75    76    77    78    72    73    64    65  
   70    71    74    77    72    73    64  
   65    70    72  
    0  
   67    68    69  
   68    69  
   69  
    0  
   71    74    75    76    77    78    72    73  
   74    75    76    77    78    72  
   73    74    77  
    0  
   75    76    77    78  
   76    77  
   77  
   78  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   49   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.600000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.105000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    51   469.000  1.400
   48    52   450.000  1.364
   51    59   469.000  1.400
   51    61   450.000  1.364
   59    60   367.000  1.080
   61    66   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   553.000  0.945
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    49   320.000  1.410
   49    50   340.000  1.090
   49    54   317.000  1.522
   49    57   268.000  1.529
   54    55   656.000  1.250
   54    56   656.000  1.250
   57    58   340.000  1.090
   57    62   268.000  1.529
   57    64   320.000  1.410
   62    63   340.000  1.090
   62    70   268.000  1.529
   62    72   320.000  1.410
   70    71   340.000  1.090
   70    74   317.000  1.522
   70    77   320.000  1.410
   74    75   656.000  1.250
   74    76   656.000  1.250
   77    78   553.000  0.945
   72    73   553.000  0.945
   64    65   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    51    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    51    63.00000  120.00000
   45    48    52    70.00000  120.00000
   48    45    46    35.00000  120.00000
   48    51    59    63.00000  120.00000
   48    51    61    70.00000  120.00000
   48    52    53    35.00000  113.00000
   51    59    60    35.00000  120.00000
   51    61    66    75.00000  111.00000
   59    38    41    63.00000  120.00000
   61    51    59    70.00000  120.00000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    48    51    70.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    49    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    49    50    35.00000  109.50000
   47    49    54    85.00000  109.63000
   47    49    57    50.00000  109.50000
   49    54    55    70.00000  117.00000
   49    54    56    70.00000  117.00000
   49    57    58    37.50000  110.70000
   49    57    62    58.35000  112.70000
   49    57    64    50.00000  109.50000
   54    49    50    35.00000  109.50000
   56    54    55    80.00000  126.00000
   57    49    50    37.50000  110.70000
   57    49    54    70.00000  109.69300
   57    62    63    37.50000  110.70000
   57    62    70    58.35000  112.70000
   57    62    72    50.00000  109.50000
   57    64    65    55.00000  108.50000
   62    57    58    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    74    70.00000  109.69300
   62    70    77    50.00000  109.50000
   62    72    73    55.00000  108.50000
   70    62    63    37.50000  110.70000
   70    74    75    70.00000  117.00000
   70    74    76    70.00000  117.00000
   70    77    78    55.00000  108.50000
   74    70    71    35.00000  109.50000
   76    74    75    80.00000  126.00000
   77    70    71    35.00000  109.50000
   77    70    74    95.00000  109.52300
   72    62    63    35.00000  109.50000
   72    62    70    50.00000  109.50000
   64    57    58    35.00000  109.50000
   64    57    62    50.00000  109.50000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    51   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    59    51   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45   -48    51   3.62500 -1.0 2.0
   41    45    48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    51    59   3.62500 -1.0 2.0
   45    48    51    61   3.62500 -1.0 2.0
   45    48    52    53   0.84100 -1.0 2.0
   46    45    48    51   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    51   -59    38   3.62500 -1.0 2.0
   48    51    59    60   3.62500 -1.0 2.0
   48    51    61    66   1.63200 -1.0 2.0
   51    48    52    53   0.84100 -1.0 2.0
   51    61    66    67   0.08050  1.0 3.0
   51    61    66    68   0.08050  1.0 3.0
   51    61    66    69   0.08050  1.0 3.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   59    51    61    66   1.63200 -1.0 2.0
   61    51    59    38   3.62500 -1.0 2.0
   61    51    59    60   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   52    48    51    61   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    49  -2.26850  1.0 1.0
   39    43    47    49   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    49    50   0.08050  1.0 3.0
   43    47    49    54  -0.48150  1.0 1.0
   43    47    49    54   0.09250 -1.0 2.0
   43    47    49    54  -0.12850  1.0 3.0
   43    47    49    57  -0.46850  1.0 1.0
   43    47    49    57   0.09300 -1.0 2.0
   43    47    49    57  -0.12850  1.0 3.0
   44    43    47    49   2.00000 -1.0 2.0
   47    49    54    55   0.30150 -1.0 2.0
   47    49    54    56   0.30150 -1.0 2.0
   47    49    57    58   0.23400  1.0 3.0
   47    49    57    62   0.62750  1.0 1.0
   47    49    57    62  -0.30950 -1.0 2.0
   47    49    57    62   0.27300  1.0 3.0
   47    49    57    64   3.69350  1.0 1.0
   47    49    57    64  -1.82950 -1.0 2.0
   49    57    62    63   0.15000  1.0 3.0
   49    57    62    70   0.56750  1.0 1.0
   49    57    62    70  -0.07550 -1.0 2.0
   49    57    62    70   0.20000  1.0 3.0
   49    57    62    72   0.86500  1.0 1.0
   49    57    62    72  -0.17500 -1.0 2.0
   49    57    62    72   0.20800  1.0 3.0
   49    57    64    65  -0.11600  1.0 1.0
   49    57    64    65  -0.09450 -1.0 2.0
   49    57    64    65   0.21250  1.0 3.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    56   0.00000  1.0 1.0
   50    49    57    58   0.15000  1.0 3.0
   50    49    57    62   0.15000  1.0 3.0
   50    49    57    64   0.23400  1.0 3.0
   54    49    57    58  -0.11250  1.0 3.0
   54    49    57    62  -1.63150  1.0 1.0
   54    49    57    62  -0.43550 -1.0 2.0
   54    49    57    62   0.24500  1.0 3.0
   54    49    57    64  -5.33000  1.0 1.0
   54    49    57    64  -0.54250 -1.0 2.0
   54    49    57    64  -0.07300  1.0 3.0
   57    49    54    55   0.41150 -1.0 2.0
   57    49    54    56   0.41150 -1.0 2.0
   57    62    70    71   0.15000  1.0 3.0
   57    62    70    74  -1.63150  1.0 1.0
   57    62    70    74  -0.43550 -1.0 2.0
   57    62    70    74   0.24500  1.0 3.0
   57    62    70    77   0.86500  1.0 1.0
   57    62    70    77  -0.17500 -1.0 2.0
   57    62    70    77   0.20800  1.0 3.0
   57    62    72    73  -0.11600  1.0 1.0
   57    62    72    73  -0.09450 -1.0 2.0
   57    62    72    73   0.21250  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    70   0.15000  1.0 3.0
   58    57    62    72   0.23400  1.0 3.0
   58    57    64    65   0.19450  1.0 3.0
   62    57    64    65  -0.11600  1.0 1.0
   62    57    64    65  -0.09450 -1.0 2.0
   62    57    64    65   0.21250  1.0 3.0
   62    70    74    75   0.41150 -1.0 2.0
   62    70    74    76   0.41150 -1.0 2.0
   62    70    77    78  -0.11600  1.0 1.0
   62    70    77    78  -0.09450 -1.0 2.0
   62    70    77    78   0.21250  1.0 3.0
   63    62    70    71   0.15000  1.0 3.0
   63    62    70    74  -0.11250  1.0 3.0
   63    62    70    77   0.23400  1.0 3.0
   63    62    72    73   0.19450  1.0 3.0
   70    62    72    73  -0.11600  1.0 1.0
   70    62    72    73  -0.09450 -1.0 2.0
   70    62    72    73   0.21250  1.0 3.0
   71    70    74    75   0.00000  1.0 1.0
   71    70    74    76   0.00000  1.0 1.0
   71    70    77    78   0.19450  1.0 3.0
   74    70    77    78   0.91850  1.0 1.0
   74    70    77    78   0.57950  1.0 3.0
   77    70    74    75   0.30150 -1.0 2.0
   77    70    74    76   0.30150 -1.0 2.0
   72    62    70    71   0.23400  1.0 3.0
   72    62    70    74  -5.33000  1.0 1.0
   72    62    70    74  -0.54250 -1.0 2.0
   72    62    70    74  -0.07300  1.0 3.0
   72    62    70    77   3.75450  1.0 1.0
   64    57    62    63   0.23400  1.0 3.0
   64    57    62    70   0.86500  1.0 1.0
   64    57    62    70  -0.17500 -1.0 2.0
   64    57    62    70   0.20800  1.0 3.0
   64    57    62    72   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   51    52    48    45   4.00000 -1.0 2.0
   59    61    51    48   4.00000 -1.0 2.0
   51    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   55    49    54    56  10.50000 -1.0 2.0
   75    70    74    76  10.50000 -1.0 2.0
END
