* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    134    204     386
    1     0 S   NP   _N1_     1    28.93881    93.96320   -19.76857
    2     1 S   H    _HN1     2     1.02958    99.40525    32.91830
    3     1 S   H    _H1_     3     1.02838    31.37512   140.32976
    4     1 S   H    _H2_     4     1.02781    82.14149   -74.44795
    5     1 S   CT   _CA1     5     1.50116   139.36344   170.36838
    6     5 S   HC   _HA1     6     1.09566   105.27571    43.07799
    7     5 S   CO3  _C1_     7     1.53860   112.29003   -77.25897
    8     7 S   O2Z  _O11     8     1.26362   115.02512   -44.53512
    9     7 S   O2Z  _O12     9     1.26239   114.93312   134.64746
   10     5 S   CT   _CB1    10     1.53091   107.42768   161.10044
   11    10 S   HC   HB11    11     1.09819   109.55824   -49.21606
   12    10 S   HC   HB12    12     1.09835   110.29752    67.38275
   13    10 S   CT   _CG1    13     1.53020   112.65284  -170.30994
   14    13 S   HC   HG11    14     1.09482   110.29600   -58.61091
   15    13 S   HC   HG12    15     1.09613   110.21687    60.54935
   16    13 S   C    _CD1    16     1.51767   112.06393  -179.15096
   17    16 S   O    _OE1    17     1.22746   123.10548   -13.10850
   18    16 S   N    _N2_    18     1.38624   111.81490   167.32655
   19    18 S   H    _HN2    19     1.01583   119.09945     1.90218
   20    18 S   CT1  _CA2    20     1.46267   123.25998  -176.37431
   21    20 S   HC   _HA2    21     1.09729   109.35080   -14.74419
   22    20 S   C    _C2_    22     1.53340   108.44918  -130.63896
   23    22 S   O    _O2_    23     1.23007   122.22659  -145.89226
   24    20 S   CT   _CB2    32     1.53591   111.25219   107.18643
   25    24 S   HC   HB21    33     1.09407   109.31427    58.21150
   26    24 S   HC   HB22    34     1.09513   110.39016   176.37345
   27    22 S   N    _N3_    24     1.38503   113.34390    41.45748
   28    27 S   H    _HN3    25     1.01532   118.91664    -0.51129
   29    24 S   S    _SG2    35     1.83168   111.31353   -64.50324
   30    27 S   CT   _CA3    26     1.45447   123.41218   175.08961
   31    30 S   HC   HA31    27     1.09525   109.19614    25.09439
   32    30 S   HC   HA32    28     1.09494   107.12965   142.09904
   33    29 S   CT   _C17    36     1.87602   102.04890   148.24069
   34    30 S   CO3  _C3_    29     1.52931   113.15493   -98.34980
   35    34 S   O2Z  _O31    30     1.26399   115.42585   -43.76208
   36    34 S   O2Z  _O32    31     1.26358   114.96714   137.17838
   37    33 S   CT   _C15    37     1.54094   108.79642    63.28420
   38    37 S   HC   _H29    38     1.09620   111.41961   -53.72876
   39    37 S   HC   _H30    39     1.09718   111.15290  -171.54857
   40    33 S   CO4  _C14    68     1.53965   108.71233   -55.69273
   41    40 S   O    _O20    69     1.22619   123.77598   130.39407
   42    37 S   CO4  _C13    40     1.51086   112.99237    68.75916
   43    42 S   O    _O19    41     1.22990   121.52006  -151.65399
   44    40 S   OS   _O24    70     1.36450   111.79392   -50.94867
   45    42 S   CM   _C10    42     1.48243   118.92879    31.50020
   46    45 S   HC   _H28    43     1.08323   115.35712   175.35375
   47    44 S   CT   _C20    71     1.43081   115.74125  -176.56259
   48    47 S   HC   _H37    72     1.09266   108.06120   170.64918
   49    47 S   HC   _H38    73     1.09441   110.77854    52.08357
   50    47 S   HC   _H39    74     1.09371   109.82330   -70.67169
   51    45 S   CM   _C12    44     1.34493   121.33321    -3.57960
   52    33 S   CT   _C16    45     1.56467   109.77127  -176.93420
   53    51 S   OS   _O23    63     1.38489   124.82020   178.38699
   54    52 S   CO4  _C11    46     1.52842   112.56847   164.96312
   55    54 S   O    _O18    47     1.21695   128.39970    63.92376
   56    53 S   CT   _C19    64     1.42208   118.22847     0.08393
   57    56 S   HC   _H34    65     1.09406   107.85765  -179.98022
   58    56 S   HC   _H35    66     1.09476   110.98711    62.06641
   59    56 S   HC   _H36    67     1.09477   110.98795   -62.02032
   60    54 S   CA   _C6_    48     1.43963   107.76732  -116.23732
   61    60 S   CA   _C8_    49     1.37613   105.79485    -1.54002
   62    61 S   CA   _C4_    50     1.38188   120.76820   178.87204
   63    62 S   HA   _H26    51     1.08564   120.52503  -178.88425
   64    52 S   OS   _O21    62     1.46443   109.90537    49.80087
   65    62 S   CA   _C7_    52     1.40500   118.46426     0.49416
   66    65 S   CA   _C5_    53     1.41293   119.92032    -0.85912
   67    66 S   HA   _H27    54     1.08773   119.84441  -178.86357
   68    65 S   CT   _C18    58     1.50061   120.08223  -177.93578
   69    68 S   HC   _H31    59     1.09431   109.96300    91.96283
   70    68 S   HC   _H32    60     1.09501   110.77761  -147.52853
   71    68 S   HC   _H33    61     1.09507   111.01347   -28.48561
   72    60 S   CA   _C9_    55     1.37768   131.77262   177.27940
   73    72 S   OH   _O22    56     1.36035   122.89404     0.85547
   74    73 S   HO   _H40    57     0.97423   108.45682     0.40734
  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  12   5   4   3
  18   2   1   1  13   6   5  11   3   6   3   5   7   3   3   2
   1   1  11   9   6   8   4   3   2   1   1  10   8  10   4   2
   8   8   3   4   2   1   1   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    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    42    51    52    54    64    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    43    45    51    52    54    55    60    61    64    53    40    41    44    47  
   35    36  
   36  
    0  
   38    39    42    43    45    46    51    52    54    64    40    41    44  
   39    42    43    45    52    40  
   42    43    45    52    40  
   41    44    47    48    49    50    42    51    52    54    64  
   44    47    52  
   43    45    46    51    52    53  
   45    46    51  
   47    48    49    50    52  
   46    51    52    54    64    53    56  
   51    52    53  
   48    49    50  
   49    50  
   50  
    0  
   52    54    55    60    61    64    53    56    57    58    59  
   54    55    60    61    62    72    64    53    56  
   56    57    58    59    54    64  
   55    60    61    62    66    72    73    64  
   60    61    72    64  
   57    58    59  
   58    59  
   59  
    0  
   61    62    63    65    66    67    72    73    74    64  
   62    63    65    66    72    73    68    64  
   63    65    66    67    72    68    69    70    71    64  
   65    66    68    64  
   65    72  
   66    67    72    73    68    69    70    71  
   67    72    73    74    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   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  -0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760   0.016000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   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   268.000  1.529
   33    52   268.000  1.529
   33    40   317.000  1.522
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    42   317.000  1.522
   42    43   570.000  1.229
   42    45   320.000  1.462
   45    46   340.000  1.080
   45    51   549.000  1.340
   51    52   317.000  1.510
   51    53   440.000  1.360
   52    54   317.000  1.522
   52    64   320.000  1.410
   54    55   570.000  1.229
   54    60   310.000  1.470
   60    61   469.000  1.400
   60    72   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   53    56   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   40    41   570.000  1.229
   40    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  110.18000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    42    63.00000  111.10000
   33    52    51    70.00000  112.02700
   33    52    54    63.00000  111.10000
   33    52    64    50.00000  109.50000
   33    40    41    80.00000  120.40000
   33    40    44    81.00000  111.40000
   37    42    43    80.00000  120.40000
   37    42    45    65.00000  118.62400
   39    37    38    33.00000  107.80000
   42    37    38    35.00000  109.50000
   42    37    39    35.00000  109.50000
   42    45    46    40.00000  117.72500
   42    45    51    65.00000  118.96000
   45    42    43    80.00000  123.72100
   45    51    52    70.00000  124.00000
   45    51    53    80.00000  120.01400
   51    45    46    35.00000  120.00000
   51    52    54    70.00000  109.06800
   51    52    64    85.00000  110.90400
   51    53    56    90.00000  111.18400
   52    33    37    58.35000  112.70000
   52    54    55    80.00000  120.40000
   52    54    60    65.00000  115.47100
   52    64    61    75.00000  111.00000
   54    60    61    60.00000  119.52600
   54    60    72    60.00000  119.52600
   60    54    55    75.00000  123.78400
   60    61    62    63.00000  120.00000
   60    61    64    70.00000  120.00000
   60    72    66    63.00000  120.00000
   60    72    73    70.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    65    63.00000  120.00000
   62    65    66    63.00000  120.00000
   62    65    68    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    70.00000  120.00000
   72    60    61    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    73    74    35.00000  113.00000
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    52    54    90.00000  108.74100
   64    61    62    70.00000  120.00000
   53    51    52    85.00000  112.85300
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    59    35.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   40    33    37    63.00000  111.10000
   40    33    52    63.00000  111.10000
   40    44    47    83.00000  116.90000
   44    40    41    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    49    35.00000  109.50000
   44    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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   0.01700  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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    42   0.56750  1.0 1.0
   29    33    37    42  -0.07550 -1.0 2.0
   29    33    37    42   0.20000  1.0 3.0
   29    33    52    51   0.56750  1.0 1.0
   29    33    52    51  -0.07550 -1.0 2.0
   29    33    52    51   0.20000  1.0 3.0
   29    33    52    54   0.56750  1.0 1.0
   29    33    52    54  -0.07550 -1.0 2.0
   29    33    52    54   0.20000  1.0 3.0
   29    33    52    64   0.56750  1.0 1.0
   29    33    52    64  -0.07550 -1.0 2.0
   29    33    52    64   0.20000  1.0 3.0
   29    33    40    41   0.30150 -1.0 2.0
   29    33    40    44   0.40000  1.0 3.0
   33    37    42    43   0.30150 -1.0 2.0
   33    37    42    45   0.65300  1.0 1.0
   33    37    42    45  -0.03850 -1.0 2.0
   33    37    42    45   0.33900  1.0 3.0
   33    52    54    55   0.30150 -1.0 2.0
   33    52    54    60   0.05850 -1.0 2.0
   33    52    54    60   0.17250  1.0 3.0
   33    52    64    61  -0.32850  1.0 1.0
   33    52    64    61  -0.35800 -1.0 2.0
   33    52    64    61   0.33950  1.0 3.0
   33    40    44    47   1.63150  1.0 1.0
   33    40    44    47   2.92000 -1.0 2.0
   37    33    52    51   0.34400  1.0 1.0
   37    33    52    51   0.09450 -1.0 2.0
   37    33    52    51   0.11100  1.0 3.0
   37    33    52    54  -0.95700  1.0 1.0
   37    33    52    54  -0.18200 -1.0 2.0
   37    33    52    54   0.29450  1.0 3.0
   37    33    52    64   0.62750  1.0 1.0
   37    33    52    64  -0.30950 -1.0 2.0
   37    33    52    64   0.27300  1.0 3.0
   37    33    40    41   0.30150 -1.0 2.0
   37    33    40    44   0.36750  1.0 3.0
   37    42    45    46   0.04550  1.0 1.0
   37    42    45    46   0.83000 -1.0 2.0
   37    42    45    46  -0.04000  1.0 3.0
   37    42   -45    51  -0.33500  1.0 1.0
   37    42   -45    51   1.06600 -1.0 2.0
   37    42   -45    51  -0.14000  1.0 3.0
   38    37    42    43   0.00000  1.0 1.0
   38    37    42    45   0.00000  1.0 1.0
   39    37    42    43   0.00000  1.0 1.0
   39    37    42    45   0.00000  1.0 1.0
   42    45    51    52   7.00000 -1.0 2.0
   42    45    51    53   7.00000 -1.0 2.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    51   1.00000 -1.0 2.0
   45    51   -52    33   0.09850  1.0 1.0
   45    51   -52    33   0.15250 -1.0 2.0
   45    51   -52    33  -0.50650  1.0 3.0
   45    51    52    54  -0.51250  1.0 1.0
   45    51    52    54  -0.88800 -1.0 2.0
   45    51    52    54   0.08850  1.0 3.0
   45    51    52    64   0.39000  1.0 1.0
   45    51    52    64  -0.05800 -1.0 2.0
   45    51    52    64  -0.55150  1.0 3.0
   45    51    53    56  -2.26850  1.0 1.0
   45    51    53    56   3.39050 -1.0 2.0
   46    45    51    52   7.00000 -1.0 2.0
   46    45    51    53   7.00000 -1.0 2.0
   51    52    54    55   0.30150 -1.0 2.0
   51    52    54    60   0.65300  1.0 1.0
   51    52    54    60  -0.03850 -1.0 2.0
   51    52    54    60   0.33900  1.0 3.0
   51    52    64    61  -0.25600  1.0 1.0
   51    52    64    61  -0.40050 -1.0 2.0
   51    52    64    61   0.34700  1.0 3.0
   51    53    56    57   0.08050  1.0 3.0
   51    53    56    58   0.08050  1.0 3.0
   51    53    56    59   0.08050  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    42  -0.95700  1.0 1.0
   52    33   -37    42  -0.18200 -1.0 2.0
   52    33   -37    42   0.29450  1.0 3.0
   52    33    40    41   0.30150 -1.0 2.0
   52    33    40    44   0.36750  1.0 3.0
   52    51    53    56   2.00000 -1.0 2.0
   52    54   -60    61   2.26350  1.0 1.0
   52    54   -60    61   0.76750 -1.0 2.0
   52    54   -60    61   0.22500  1.0 3.0
   52    54    60    72   2.26350  1.0 1.0
   52    54    60    72   0.76750 -1.0 2.0
   52    54    60    72   0.22500  1.0 3.0
   54    52   -64    61  -0.25600  1.0 1.0
   54    52   -64    61  -0.40050 -1.0 2.0
   54    52   -64    61   0.34700  1.0 3.0
   54    60    61    62   3.62500 -1.0 2.0
   54    60   -61    64   3.62500 -1.0 2.0
   54    60    72    66   3.62500 -1.0 2.0
   54    60    72    73   3.62500 -1.0 2.0
   55    54    60    61   1.05000 -1.0 2.0
   55    54    60    72   1.05000 -1.0 2.0
   60    61    62    63   3.62500 -1.0 2.0
   60    61    62    65   3.62500 -1.0 2.0
   60    61   -64    52   1.63200 -1.0 2.0
   60    72    73    74   0.84100 -1.0 2.0
   61    60    72    66   3.62500 -1.0 2.0
   61    60    72    73   3.62500 -1.0 2.0
   61    62   -65    66   3.62500 -1.0 2.0
   61    62    65    68   3.62500 -1.0 2.0
   62    61    64    52   1.63200 -1.0 2.0
   62    65    66    67   3.62500 -1.0 2.0
   62    65    66    72   3.62500 -1.0 2.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.00000  1.0 1.0
   62    65    68    71   0.00000  1.0 1.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    66   -72    60   3.62500 -1.0 2.0
   65    66    72    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    73    74   0.84100 -1.0 2.0
   67    66    72    60   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   72    60   -61    62   3.62500 -1.0 2.0
   72    60    61    64   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   64    52    54    55   0.30150 -1.0 2.0
   64    52   -54    60   0.65300  1.0 1.0
   64    52   -54    60  -0.03850 -1.0 2.0
   64    52   -54    60   0.33900  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    65   3.62500 -1.0 2.0
   53    51    52    33   0.09700  1.0 1.0
   53    51    52    33   0.15600 -1.0 2.0
   53    51    52    33  -0.50800  1.0 3.0
   53    51    52    54   0.09700  1.0 1.0
   53    51    52    54   0.15600 -1.0 2.0
   53    51    52    54  -0.50800  1.0 3.0
   53    51    52    64   0.09700  1.0 1.0
   53    51    52    64   0.15600 -1.0 2.0
   53    51    52    64  -0.50800  1.0 3.0
   40    33    37    38  -0.11250  1.0 3.0
   40    33    37    39  -0.11250  1.0 3.0
   40    33    37    42   0.11950  1.0 1.0
   40    33    37    42   0.20300 -1.0 2.0
   40    33    37    42  -0.70800  1.0 3.0
   40    33    52    51  -0.98800  1.0 1.0
   40    33    52    51   0.48800 -1.0 2.0
   40    33    52    51   0.76800  1.0 3.0
   40    33    52    54   0.11950  1.0 1.0
   40    33    52    54   0.20300 -1.0 2.0
   40    33    52    54  -0.70800  1.0 3.0
   40    33    52    64  -0.09450  1.0 1.0
   40    33    52    64  -1.12950 -1.0 2.0
   40    33    52    64   0.54000  1.0 3.0
   40    44    47    48   0.08050  1.0 3.0
   40    44    47    49   0.08050  1.0 3.0
   40    44    47    50   0.08050  1.0 3.0
   41    40    44    47   3.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    45    42    43  10.50000 -1.0 2.0
   42    46    45    51   1.10000 -1.0 2.0
   52    53    51    45   1.10000 -1.0 2.0
   52    60    54    55  10.50000 -1.0 2.0
   61    72    60    54   4.00000 -1.0 2.0
   62    64    61    60   4.00000 -1.0 2.0
   65    63    62    61   1.10000 -1.0 2.0
   66    68    65    62   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    73    72    60   4.00000 -1.0 2.0
   33    44    40    41  10.50000 -1.0 2.0
END
