* LIGAND DATABASE FILE (OPLS2005)
*
001      73    74    135    205     397
    1     0 S   NP   _N1_     1    28.66310    94.41901   -22.97928
    2     1 S   H    _HN1     2     1.02774    99.01306   -96.82353
    3     1 S   H    _H1_     3     1.02961    88.12804    11.47387
    4     1 S   H    _H2_     4     1.02837    25.40645   150.09431
    5     1 S   CT   _CA1     5     1.50125   134.85319   128.79391
    6     5 S   HC   _HA1     6     1.09565   105.25039    68.78061
    7     5 S   CO3  _C1_     7     1.53830   112.41789   -51.55236
    8     7 S   O2Z  _O11     8     1.26374   114.95498   -40.95335
    9     7 S   O2Z  _O12     9     1.26227   114.95571   138.25656
   10     5 S   CT   _CB1    10     1.53098   107.45565  -173.09263
   11    10 S   HC   HB11    11     1.09825   109.53780   -48.82451
   12    10 S   HC   HB12    12     1.09824   110.30698    67.79560
   13    10 S   CT   _CG1    13     1.53009   112.64635  -169.84162
   14    13 S   HC   HG11    14     1.09601   110.48597   -61.80602
   15    13 S   HC   HG12    15     1.09643   109.98849    57.46036
   16    13 S   C    _CD1    16     1.51803   112.30287   178.02345
   17    16 S   O    _OE1    17     1.22714   123.27730    -0.91493
   18    16 S   N    _N2_    18     1.38619   111.58829   178.81139
   19    18 S   H    _HN2    19     1.01573   119.01956     2.95320
   20    18 S   CT1  _CA2    20     1.46279   123.44775  -176.87338
   21    20 S   HC   _HA2    21     1.09726   109.43987    -4.60675
   22    20 S   C    _C2_    22     1.53383   108.58957  -120.50704
   23    22 S   O    _O2_    23     1.23026   122.18941  -145.18283
   24    20 S   CT   _CB2    32     1.53404   111.11687   117.18629
   25    24 S   HC   HB21    33     1.09607   109.64502    57.45092
   26    24 S   HC   HB22    34     1.09507   110.73351   176.49228
   27    22 S   N    _N3_    24     1.38492   113.46688    42.12156
   28    27 S   H    _HN3    25     1.01508   118.95157    -0.44587
   29    24 S   S    _SG2    35     1.82518   111.47408   -63.33545
   30    27 S   CT   _CA3    26     1.45454   123.45523   175.24297
   31    30 S   HC   HA31    27     1.09523   109.26497    24.05533
   32    30 S   HC   HA32    28     1.09497   107.11797   141.05296
   33    29 S   CT   _C18    36     1.82006    98.94119   165.63660
   34    33 S   HC   _H3_    37     1.09508   110.44147   -45.26895
   35    33 S   HC   _H4_    38     1.09484   108.22939    71.48660
   36    30 S   CO3  _C3_    29     1.52919   113.08069   -99.44683
   37    36 S   O2Z  _O31    30     1.26404   115.38179   -45.26157
   38    36 S   O2Z  _O32    31     1.26352   114.99927   135.66714
   39    33 S   CM   _C6_    39     1.49947   110.09687  -166.31397
   40    39 S   CMA  _C7_    40     1.35363   126.93712   -97.76858
   41    40 S   OM   _O16    41     1.26304   128.13790     2.56537
   42    40 S   OS   _O17    42     1.42633   109.49864  -175.74513
   43    42 S   CT   _C14    43     1.43448   104.60597   -19.42696
   44    43 S   HC   _H31    44     1.09780   107.75352   -84.21486
   45    43 S   CM   _C4_    45     1.49753   109.67732   154.27987
   46    45 S   HC   _H20    46     1.08946   114.66931   -79.56990
   47    39 S   CT   _C15    63     1.50642   122.02056    89.89539
   48    47 S   HC   _H32    64     1.09975   106.13339    79.96018
   49    45 S   CM   _C5_    47     1.34682   126.58466   110.38825
   50    49 S   CT   _C10    48     1.50877   118.68419   162.13734
   51    50 S   HC   _H23    49     1.09802   110.43101    27.92617
   52    50 S   HC   _H24    50     1.09692   109.77482   143.76027
   53    49 S   CT   _C17    70     1.50262   125.41976   -13.72998
   54    53 S   HC   _H34    71     1.09308   111.11883   114.02144
   55    53 S   HC   _H35    72     1.09271   113.16087    -7.85988
   56    53 S   HC   _H36    73     1.09558   109.67465  -126.67711
   57    50 S   CT   _C12    51     1.54135   112.82571   -93.80627
   58    57 S   HC   _H27    52     1.09859   107.30094   177.77068
   59    57 S   HC   _H28    53     1.09616   110.14830   -69.10654
   60    57 S   CT   _C16    54     1.55020   114.96870    56.96372
   61    60 S   HC   _H33    55     1.09664   107.44284    46.51670
   62    60 S   CM   _C8_    56     1.52527   118.17303   -77.67022
   63    60 S   OH   _O18    68     1.43181   108.65968   161.01148
   64    63 S   HO   _H39    69     0.97199   107.57964   -59.97851
   65    62 S   CT   _C11    57     1.51906   116.67051   143.48125
   66    65 S   HC   _H25    58     1.09678   110.27280    -9.22032
   67    65 S   HC   _H26    59     1.09932   106.31773   103.97314
   68    62 S   CM   _C9_    65     1.34466   122.58480   -41.42504
   69    68 S   HC   _H21    66     1.08368   122.02359     1.10924
   70    68 S   HC   _H22    67     1.08474   121.70281  -176.41013
   71    65 S   CT   _C13    60     1.54761   118.37922  -134.69859
   72    71 S   HC   _H29    61     1.09715   105.26108  -155.39602
   73    71 S   HC   _H30    62     1.09547   111.65991   -41.03325
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   8  12   6  13   4   9   4
  11  13   6   5   4   2   1   1   9   5   4  11   5  11   3   1
   8   5   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    71    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    65    71    72    73    47    48  
   41    42    43    44    45    71    47    48  
   42    43    47  
   43    44    45    46    49    71    47    48  
   44    45    46    49    50    65    71    72    73    47    48    53  
   45    46    49    71    47    48  
   46    49    50    51    52    57    71    47    48    53    54    55    56  
   49    50    47    53  
   48    49    62    65    66    67    71    72    73  
   65    71    72    73  
   50    51    52    57    58    59    60    53    54    55    56  
   51    52    57    58    59    60    61    62    63    53    54    55    56  
   52    57    58    59    60    53  
   57    58    59    60    53  
   54    55    56    57  
   55    56  
   56  
    0  
   58    59    60    61    62    65    68    63    64  
   59    60    61    62    63  
   60    61    62    63  
   61    62    65    66    67    71    68    69    70    63    64  
   62    65    68    63    64  
   65    66    67    71    72    73    68    69    70    63    64  
   64    65    68  
    0  
   66    67    71    72    73    68    69    70  
   67    71    72    73    68  
   71    72    73    68  
   69    70    71  
   70  
    0  
   72    73  
   73  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.184000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   317.000  1.510
   43    47   268.000  1.529
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    53   317.000  1.510
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   320.000  1.410
   62    65   317.000  1.510
   62    68   549.000  1.340
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    47   268.000  1.529
   47    48   340.000  1.090
   68    69   340.000  1.080
   68    70   340.000  1.080
   63    64   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    71    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    85.00000  110.90400
   42    43    47    50.00000  109.50000
   43    45    46    35.00000  117.00000
   43    45    49    70.00000  124.00000
   43    47    71    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    35.00000  109.50000
   45    49    50    70.00000  124.00000
   45    49    53    70.00000  124.00000
   49    45    46    35.00000  120.00000
   49    50    51    35.00000  109.50000
   49    50    52    35.00000  109.50000
   49    50    57    70.00000  112.02700
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   57    50    51    37.50000  110.70000
   57    50    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    70.00000  112.02700
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    65    65.00000  117.92700
   60    62    68    70.00000  124.00000
   60    63    64    55.00000  108.50000
   62    60    61    35.00000  109.50000
   62    65    66    35.00000  109.50000
   62    65    67    35.00000  109.50000
   62    65    71    70.00000  112.02700
   62    68    69    35.00000  120.00000
   62    68    70    35.00000  120.00000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    47    58.35000  112.70000
   67    65    66    33.00000  107.80000
   71    65    66    37.50000  110.70000
   71    65    67    37.50000  110.70000
   71    47    48    37.50000  110.70000
   73    71    72    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    70.00000  112.02700
   47    71    72    37.50000  110.70000
   47    71    73    37.50000  110.70000
   68    62    65    70.00000  124.00000
   70    68    69    35.00000  117.00000
   63    60    61    35.00000  109.50000
   63    60    62    90.00000  110.39200
   53    49    50    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    71   0.46850  1.0 1.0
   33    39    47    71   0.08550 -1.0 2.0
   33    39    47    71   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    71   0.09850  1.0 1.0
   40    39    47    71   0.15250 -1.0 2.0
   40    39    47    71  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.48150  1.0 1.0
   40    42    43    45   0.09250 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.00000  1.0 1.0
   42    43    45    49   0.39000  1.0 1.0
   42    43    45    49  -0.05800 -1.0 2.0
   42    43    45    49  -0.55150  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    71   0.62750  1.0 1.0
   42    43    47    71  -0.30950 -1.0 2.0
   42    43    47    71   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   7.00000 -1.0 2.0
   43    45    49    53   7.00000 -1.0 2.0
   44    43    45    46   0.33100  1.0 3.0
   44    43    45    49   0.00000  1.0 1.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    71   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.31000  1.0 1.0
   45    43    47    39   0.14700 -1.0 2.0
   45    43    47    39   0.07550  1.0 3.0
   45    43    47    71   0.34400  1.0 1.0
   45    43    47    71   0.09450 -1.0 2.0
   45    43    47    71   0.11100  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   0.00000  1.0 1.0
   45    49    50    52   0.00000  1.0 1.0
   45    49    50    57   0.09850  1.0 1.0
   45    49    50    57   0.15250 -1.0 2.0
   45    49    50    57  -0.50650  1.0 3.0
   45    49    53    54   0.00000  1.0 1.0
   45    49    53    55   0.00000  1.0 1.0
   45    49    53    56   0.00000  1.0 1.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    53   7.00000 -1.0 2.0
   49    50    57    58   0.15000  1.0 3.0
   49    50    57    59   0.15000  1.0 3.0
   49    50    57    60   0.34400  1.0 1.0
   49    50    57    60   0.09450 -1.0 2.0
   49    50    57    60   0.11100  1.0 3.0
   50    49    53    54   0.34800  1.0 3.0
   50    49    53    55   0.34800  1.0 3.0
   50    49    53    56   0.34800  1.0 3.0
   50    57    60    61   0.15000  1.0 3.0
   50    57    60    62   0.34400  1.0 1.0
   50    57    60    62   0.09450 -1.0 2.0
   50    57    60    62   0.11100  1.0 3.0
   50    57    60    63   0.86500  1.0 1.0
   50    57    60    63  -0.17500 -1.0 2.0
   50    57    60    63   0.20800  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   52    50    57    58   0.15000  1.0 3.0
   52    50    57    59   0.15000  1.0 3.0
   52    50    57    60   0.15000  1.0 3.0
   57    60    62    65   0.46850  1.0 1.0
   57    60    62    65   0.08550 -1.0 2.0
   57    60    62    65   0.09800  1.0 3.0
   57    60    62    68   0.09850  1.0 1.0
   57    60    62    68   0.15250 -1.0 2.0
   57    60    62    68  -0.50650  1.0 3.0
   57    60    63    64  -0.11600  1.0 1.0
   57    60    63    64  -0.09450 -1.0 2.0
   57    60    63    64   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.23400  1.0 3.0
   60    62    65    66   0.34800  1.0 3.0
   60    62    65    67   0.34800  1.0 3.0
   60    62    65    71   0.46850  1.0 1.0
   60    62    65    71   0.08550 -1.0 2.0
   60    62    65    71   0.09800  1.0 3.0
   60    62    68    69   7.00000 -1.0 2.0
   60    62    68    70   7.00000 -1.0 2.0
   61    60    62    65   0.34800  1.0 3.0
   61    60    62    68   0.00000  1.0 1.0
   61    60    63    64   0.19450  1.0 3.0
   62    60    63    64  -0.07800  1.0 1.0
   62    60    63    64  -0.21500 -1.0 2.0
   62    60    63    64  -0.03150  1.0 3.0
   62    65    71    72   0.15000  1.0 3.0
   62    65    71    73   0.15000  1.0 3.0
   62    65    71    47   0.34400  1.0 1.0
   62    65    71    47   0.09450 -1.0 2.0
   62    65    71    47   0.11100  1.0 3.0
   65    62    68    69   7.00000 -1.0 2.0
   65    62    68    70   7.00000 -1.0 2.0
   65    71    47    39   0.34400  1.0 1.0
   65    71    47    39   0.09450 -1.0 2.0
   65    71    47    39   0.11100  1.0 3.0
   65    71    47    43   0.56750  1.0 1.0
   65    71    47    43  -0.07550 -1.0 2.0
   65    71    47    43   0.20000  1.0 3.0
   65    71    47    48   0.15000  1.0 3.0
   66    65    71    72   0.15000  1.0 3.0
   66    65    71    73   0.15000  1.0 3.0
   66    65    71    47   0.15000  1.0 3.0
   67    65    71    72   0.15000  1.0 3.0
   67    65    71    73   0.15000  1.0 3.0
   67    65    71    47   0.15000  1.0 3.0
   72    71    47    39   0.15000  1.0 3.0
   72    71    47    43   0.15000  1.0 3.0
   72    71    47    48   0.15000  1.0 3.0
   73    71    47    39   0.15000  1.0 3.0
   73    71    47    43   0.15000  1.0 3.0
   73    71    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.00000  1.0 1.0
   47    43    45    49   0.09850  1.0 1.0
   47    43    45    49   0.15250 -1.0 2.0
   47    43    45    49  -0.50650  1.0 3.0
   68    62    65    66   0.00000  1.0 1.0
   68    62    65    67   0.00000  1.0 1.0
   68    62    65    71   0.09850  1.0 1.0
   68    62    65    71   0.15250 -1.0 2.0
   68    62    65    71  -0.50650  1.0 3.0
   63    60    62    65   0.18000  1.0 1.0
   63    60    62    65   0.16450 -1.0 2.0
   63    60    62    65   0.04450  1.0 3.0
   63    60    62    68   0.67800  1.0 1.0
   63    60    62    68   0.47050 -1.0 2.0
   63    60    62    68  -0.62500  1.0 3.0
   53    49    50    51   0.34800  1.0 3.0
   53    49    50    52   0.34800  1.0 3.0
   53    49    50    57   0.46850  1.0 1.0
   53    49    50    57   0.08550 -1.0 2.0
   53    49    50    57   0.09800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   43    46    45    49   1.10000 -1.0 2.0
   50    53    49    45   1.10000 -1.0 2.0
   60    65    62    68   1.10000 -1.0 2.0
   69    70    68    62   1.10000 -1.0 2.0
END
