* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    129    217     385
    1     0 S   NP   _N1_     1    31.97229    89.80431   -17.33389
    2     1 S   H    _HN1     2     1.02892   104.58347   120.03821
    3     1 S   H    _H1_     3     1.02775    46.00970    19.91565
    4     1 S   H    _H2_     4     1.03354   145.07059   -30.89517
    5     1 S   CT   _CA1     5     1.50706    69.99247  -132.02018
    6     5 S   HC   _HA1     6     1.09681   104.61313    78.85823
    7     5 S   CO3  _C1_     7     1.54152   111.36891   -37.19230
    8     7 S   O2Z  _O11     8     1.26588   113.91421    61.16407
    9     7 S   O2Z  _O12     9     1.26050   116.69581  -118.19355
   10     5 S   CT   _CB1    10     1.52745   106.50553  -165.75673
   11    10 S   HC   HB11    11     1.09668   108.51117   -47.90423
   12    10 S   HC   HB12    12     1.09663   109.98373    68.03613
   13    10 S   CT   _CG1    13     1.53278   114.50812  -168.54523
   14    13 S   HC   HG11    14     1.09459   111.62936   -80.44022
   15    13 S   HC   HG12    15     1.09568   110.88617    39.89049
   16    13 S   C    _CD1    16     1.51675   109.16122   158.74767
   17    16 S   O    _OE1    17     1.22819   121.83930  -110.01577
   18    16 S   N    _N2_    18     1.38425   112.79346    67.51327
   19    18 S   H    _HN2    19     1.01558   119.04125    10.46740
   20    18 S   CT1  _CA2    20     1.46377   123.30744  -164.28173
   21    20 S   HC   _HA2    21     1.09735   109.12198     5.00633
   22    20 S   C    _C2_    22     1.53270   109.39104  -111.49995
   23    22 S   O    _O2_    23     1.23051   122.15484  -144.39895
   24    20 S   CT   _CB2    32     1.54012   110.68156   125.79301
   25    24 S   HC   HB21    33     1.09252   108.31497    65.38476
   26    24 S   HC   HB22    34     1.09491   110.46187  -176.40321
   27    22 S   N    _N3_    24     1.38477   113.63844    42.93030
   28    27 S   H    _HN3    25     1.01500   119.01282     0.15195
   29    24 S   S    _SG2    35     1.83621   110.68076   -55.90013
   30    27 S   CT   _CA3    26     1.45418   123.19411   175.87840
   31    30 S   HC   HA31    27     1.09544   108.93652    29.98603
   32    30 S   HC   HA32    28     1.09492   107.18567   146.87174
   33    29 S   CT   _C23    36     1.85854   103.52843   163.48935
   34    33 S   OM   _O39    37     1.32038   108.63200    71.90157
   35    30 S   CO3  _C3_    29     1.52919   113.35567   -93.33615
   36    35 S   O2Z  _O31    30     1.26384   115.49353   -44.63901
   37    35 S   O2Z  _O32    31     1.26378   114.94828   136.39679
   38    33 S   CO4  _C22    38     1.52428   108.02725   -46.49724
   39    38 S   O    _O38    39     1.23234   124.85813   105.79686
   40    33 S   CT   _C14    51     1.59696   113.64281  -165.32850
   41    40 S   HC   _H3_    52     1.10640   104.81434  -170.57729
   42    38 S   CM   _C17    40     1.48958   115.39147   -71.94586
   43    40 S   CM   _C12    53     1.58438   112.44135   -55.79896
   44    42 S   CM   _C18    41     1.34156   116.60900   144.62005
   45    44 S   HC   _H6_    42     1.08456   123.05191    -1.71635
   46    43 S   CO4  _C13    54     1.50471   112.82432   -92.34862
   47    46 S   O    _O34    55     1.22723   122.63134   -17.32549
   48    44 S   CO4  _C19    43     1.48053   120.33378   177.55575
   49    48 S   O    _O37    44     1.22606   121.11758   177.50142
   50    46 S   CA   _C8_    56     1.46683   118.54827   161.95218
   51    48 S   CM   _C20    45     1.47937   117.54059    -3.65709
   52    51 S   HC   _H7_    46     1.08400   117.39979  -176.78722
   53    50 S   CA   _C9_    57     1.38006   118.91105    18.99464
   54    51 S   CM   _C21    47     1.33893   120.85762     3.31287
   55    53 S   CA   _C4_    58     1.41015   120.14830   178.31728
   56    55 S   HA   _H4_    59     1.09195   118.67066  -179.88986
   57    53 S   CO4  _C10    67     1.47077   120.12131    -0.37587
   58    57 S   O    _O33    68     1.23064   118.33309   163.41752
   59    42 S   CM   _C16    48     1.46102   120.70386   -36.51584
   60    55 S   CA   _C5_    60     1.41297   123.30188     0.36957
   61    60 S   OM   _O42    61     1.27682   122.83756   179.83449
   62    43 S   CMA  _C11    69     1.36302   126.37164    89.54697
   63    62 S   OM   _O40    70     1.26603   130.59398     0.10468
   64    54 S   OH   _O36    71     1.38427   118.68849   179.61184
   65    64 S   HO   _H8_    72     0.97585   107.63424   175.12548
   66    59 S   CMA  _C15    49     1.36724   120.29472     3.84639
   67    66 S   OM   _O35    50     1.26955   128.66100  -167.50049
   68    60 S   CA   _C6_    62     1.40985   114.37993    -0.20936
   69    68 S   HA   _H5_    63     1.09142   119.01302   180.00000
   70    50 S   CA   _C7_    64     1.39624   122.41866  -162.58324
   71    70 S   OH   _O41    65     1.36997   123.27077     1.80472
   72    71 S   HO   _H9_    66     0.97433   108.46170    -1.48859
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  11   4  13   6  10  12   8   4  11   4   6
   3  12   6   3  11   5   9   4   5   2   4   5   3   2   1   2
   1   1   1   4   2   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    66    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    59    66    67    40    41    43    46    62  
   38    39    42    66    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    48    54    59    66    40    41    43  
   42    44    59    40  
   41    43    46    47    50    57    62    63    42    54    59    66    67  
   43    46    62    59    66    67  
   44    45    48    49    51    54    59    66    67    64  
   46    47    50    53    70    57    58    62    63    59    66    67  
   45    48    49    51    52    54    59    66  
   48    49    51    59  
   47    50    53    55    68    70    71    57    62    63    66  
   50    53    70    62  
   49    51    52    54    59    64  
   51    52    54  
   53    55    56    60    68    69    70    71    72    57    58    62  
   52    54    59    66    64    65  
   54    59    64  
   55    56    60    61    68    70    71    57    58    62    63  
   59    66    67    64    65  
   56    60    61    68    69    70    57    58    62  
   60    61    68    57  
   58    62    63    60    70  
   62    63  
   66    67    64    65  
   61    68    69    70    71  
   68    69    70  
   63    66  
    0  
   65    66  
    0  
   67  
    0  
   69    70    71    72  
   70    71  
   71    72  
   72  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0700  -0.170000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.1500   0.2500  -0.830000   1.7825   1.5750   0.001000000  -0.126889456
   62   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   64   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   320.000  1.462
   42    44   549.000  1.340
   42    59   380.000  1.444
   44    45   340.000  1.080
   44    48   320.000  1.462
   48    49   570.000  1.229
   48    51   320.000  1.462
   51    52   340.000  1.080
   51    54   549.000  1.340
   54    59   380.000  1.444
   54    64   510.000  1.338
   59    66   465.000  1.376
   66    67   745.000  1.250
   66    40   270.000  1.512
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   320.000  1.462
   43    62   465.000  1.376
   46    47   570.000  1.229
   46    50   310.000  1.470
   50    53   469.000  1.400
   50    70   469.000  1.400
   53    55   469.000  1.400
   53    57   310.000  1.470
   55    56   367.000  1.080
   55    60   469.000  1.400
   60    61   450.000  1.364
   60    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   450.000  1.364
   71    72   553.000  0.945
   57    58   570.000  1.229
   57    62   270.000  1.476
   62    63   745.000  1.250
   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  118.62400
   33    40    66    70.00000  112.02700
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.02700
   38    33    34    90.00000  108.74100
   38    42    44    65.00000  118.96000
   38    42    59    65.00000  118.96000
   42    38    39    80.00000  123.72100
   42    44    45    35.00000  120.00000
   42    44    48    65.00000  118.96000
   42    59    54    70.00000  123.01800
   42    59    66    70.00000  117.34000
   44    48    49    80.00000  123.72100
   44    48    51    65.00000  118.65900
   48    44    45    40.00000  117.72500
   48    51    52    40.00000  117.72500
   48    51    54    65.00000  118.96000
   51    48    49    80.00000  123.72100
   51    54    59    70.00000  123.01800
   51    54    64    80.00000  121.38400
   54    51    52    35.00000  120.00000
   54    59    66    70.00000  117.34000
   54    64    65    70.00000  107.45700
   59    42    44    70.00000  123.01800
   59    66    67    65.00000  137.10300
   59    66    40    65.00000  122.18000
   66    40    41    45.00000  110.52000
   66    40    43    70.00000  110.12100
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    66    67    85.00000  112.85300
   40    43    46    65.00000  116.34900
   40    43    62    70.00000  124.00000
   43    40    41    35.00000  109.50000
   43    46    47    80.00000  123.72100
   43    46    50    65.00000  117.02400
   43    62    57    65.00000  114.61000
   43    62    63    65.00000  137.10300
   46    50    53    60.00000  119.52600
   46    50    70    60.00000  119.52600
   50    46    47    75.00000  123.78400
   50    53    55    63.00000  120.00000
   50    53    57    60.00000  119.52600
   50    70    68    63.00000  120.00000
   50    70    71    70.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    60    63.00000  120.00000
   53    57    58    75.00000  123.78400
   53    57    62    60.00000  117.44000
   55    60    61    70.00000  120.00000
   55    60    68    63.00000  120.00000
   60    55    56    35.00000  120.00000
   60    68    69    35.00000  120.00000
   60    68    70    63.00000  120.00000
   68    60    61    70.00000  120.00000
   68    70    71    70.00000  120.00000
   70    50    53    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  113.00000
   57    53    55    60.00000  119.52600
   57    62    63    85.00000  116.28000
   62    43    46    60.00000  125.92000
   62    57    58    80.00000  120.81000
   64    54    59    80.00000  121.38400
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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   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    38    39   0.30150 -1.0 2.0
   29    33    38    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    66   0.56750  1.0 1.0
   29    33    40    66  -0.07550 -1.0 2.0
   29    33    40    66   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44  -0.33500  1.0 1.0
   33    38    42    44   1.06600 -1.0 2.0
   33    38    42    44  -0.14000  1.0 3.0
   33    38    42    59  -0.33500  1.0 1.0
   33    38    42    59   1.06600 -1.0 2.0
   33    38    42    59  -0.14000  1.0 3.0
   33    40    43    46   0.09700  1.0 1.0
   33    40    43    46   0.15600 -1.0 2.0
   33    40    43    46  -0.50800  1.0 3.0
   33    40    43    62   0.09850  1.0 1.0
   33    40    43    62   0.15250 -1.0 2.0
   33    40    43    62  -0.50650  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    66   0.61850  1.0 1.0
   34    33    40    66  -0.22750 -1.0 2.0
   34    33    40    66   0.15300  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43   0.61850  1.0 1.0
   34    33    40    43  -0.22750 -1.0 2.0
   34    33    40    43   0.15300  1.0 3.0
   38    33    40    66  -0.98800  1.0 1.0
   38    33    40    66   0.48800 -1.0 2.0
   38    33    40    66   0.76800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43  -0.98800  1.0 1.0
   38    33    40    43   0.48800 -1.0 2.0
   38    33    40    43   0.76800  1.0 3.0
   38    42    44    45   7.00000 -1.0 2.0
   38    42    44    48   7.00000 -1.0 2.0
   38    42    59    54  -0.18600  1.0 3.0
   38    42   -59    66  -0.18600  1.0 3.0
   39    38    42    44   1.00000 -1.0 2.0
   39    38    42    59   1.00000 -1.0 2.0
   42    44    48    49   1.00000 -1.0 2.0
   42    44    48    51  -1.18350  1.0 1.0
   42    44    48    51   1.45950 -1.0 2.0
   42    59    66    67   7.00000 -1.0 2.0
   42    59    66    40   7.00000 -1.0 2.0
   44    42    59    54   0.28850  1.0 1.0
   44    42    59    54   2.61350 -1.0 2.0
   44    42    59    54   0.78400  1.0 3.0
   44    42    59    66   0.28850  1.0 1.0
   44    42    59    66   2.61350 -1.0 2.0
   44    42    59    66   0.78400  1.0 3.0
   44    48    51    52   0.93700 -1.0 2.0
   44    48   -51    54  -1.18350  1.0 1.0
   44    48   -51    54   1.45950 -1.0 2.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    51   0.93700 -1.0 2.0
   48    51    54    59   7.00000 -1.0 2.0
   48    51    54    64   7.00000 -1.0 2.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    54   1.00000 -1.0 2.0
   51    54   -59    42   0.28850  1.0 1.0
   51    54   -59    42   2.61350 -1.0 2.0
   51    54   -59    42   0.78400  1.0 3.0
   51    54    59    66   0.28850  1.0 1.0
   51    54    59    66   2.61350 -1.0 2.0
   51    54    59    66   0.78400  1.0 3.0
   51    54    64    65  -0.66100  1.0 1.0
   51    54    64    65   1.20850 -1.0 2.0
   51    54    64    65  -0.36000  1.0 3.0
   52    51    54    59   7.00000 -1.0 2.0
   52    51    54    64   7.00000 -1.0 2.0
   54    59    66    67   7.00000 -1.0 2.0
   54    59    66    40   7.00000 -1.0 2.0
   59    42    44    45   7.00000 -1.0 2.0
   59    42   -44    48   7.00000 -1.0 2.0
   59    54    64    65  -0.66100  1.0 1.0
   59    54    64    65   1.20850 -1.0 2.0
   59    54    64    65  -0.36000  1.0 3.0
   59    66   -40    33   0.09850  1.0 1.0
   59    66   -40    33   0.15250 -1.0 2.0
   59    66   -40    33  -0.50650  1.0 3.0
   59    66    40    41   0.00000  1.0 1.0
   59    66    40    43  -0.28300  1.0 1.0
   59    66    40    43   0.26700 -1.0 2.0
   59    66    40    43  -0.63300  1.0 3.0
   66    40    43    46   0.09700  1.0 1.0
   66    40    43    46   0.15600 -1.0 2.0
   66    40    43    46  -0.50800  1.0 3.0
   66    40    43    62  -0.28300  1.0 1.0
   66    40    43    62   0.26700 -1.0 2.0
   66    40    43    62  -0.63300  1.0 3.0
   67    66    40    33   0.09700  1.0 1.0
   67    66    40    33   0.15600 -1.0 2.0
   67    66    40    33  -0.50800  1.0 3.0
   67    66    40    41   0.00000  1.0 1.0
   67    66    40    43   0.09700  1.0 1.0
   67    66    40    43   0.15600 -1.0 2.0
   67    66    40    43  -0.50800  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.65300  1.0 1.0
   40    33   -38    42  -0.03850 -1.0 2.0
   40    33   -38    42   0.33900  1.0 3.0
   40    43    46    47  -0.64400  1.0 1.0
   40    43    46    47   0.26850 -1.0 2.0
   40    43    46    50   1.50000 -1.0 2.0
   40    43    62    57   7.00000 -1.0 2.0
   40    43    62    63   7.00000 -1.0 2.0
   41    40    43    46   0.15000  1.0 3.0
   41    40    43    62   0.00000  1.0 1.0
   43    46    50    53  -0.11500  1.0 1.0
   43    46    50    53   1.10450 -1.0 2.0
   43    46    50    53  -0.48050  1.0 3.0
   43    46    50    70  -0.11500  1.0 1.0
   43    46    50    70   1.10450 -1.0 2.0
   43    46    50    70  -0.48050  1.0 3.0
   46    43    62    57   7.00000 -1.0 2.0
   46    43    62    63   7.00000 -1.0 2.0
   46    50    53    55   3.62500 -1.0 2.0
   46    50   -53    57   3.62500 -1.0 2.0
   46    50    70    68   3.62500 -1.0 2.0
   46    50    70    71   3.62500 -1.0 2.0
   47    46    50    53   1.05000 -1.0 2.0
   47    46    50    70   1.05000 -1.0 2.0
   50    53    55    56   3.62500 -1.0 2.0
   50    53    55    60   3.62500 -1.0 2.0
   50    53    57    58   1.05000 -1.0 2.0
   50    53    57    62  -0.11500  1.0 1.0
   50    53    57    62   1.10450 -1.0 2.0
   50    53    57    62  -0.48050  1.0 3.0
   50    70    71    72   0.84100 -1.0 2.0
   53    50    70    68   3.62500 -1.0 2.0
   53    50    70    71   3.62500 -1.0 2.0
   53    55    60    61   3.62500 -1.0 2.0
   53    55   -60    68   3.62500 -1.0 2.0
   53    57   -62    43  -1.65800  1.0 1.0
   53    57   -62    43   0.77650 -1.0 2.0
   53    57    62    63   1.50000 -1.0 2.0
   55    53    57    58   1.05000 -1.0 2.0
   55    53    57    62  -0.11500  1.0 1.0
   55    53    57    62   1.10450 -1.0 2.0
   55    53    57    62  -0.48050  1.0 3.0
   55    60    68    69   3.62500 -1.0 2.0
   55    60    68    70   3.62500 -1.0 2.0
   56    55    60    61   3.62500 -1.0 2.0
   56    55    60    68   3.62500 -1.0 2.0
   60    68   -70    50   3.62500 -1.0 2.0
   60    68    70    71   3.62500 -1.0 2.0
   61    60    68    69   3.62500 -1.0 2.0
   61    60    68    70   3.62500 -1.0 2.0
   68    70    71    72   0.84100 -1.0 2.0
   69    68    70    50   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    50   -53    55   3.62500 -1.0 2.0
   70    50    53    57   3.62500 -1.0 2.0
   57    53    55    56   3.62500 -1.0 2.0
   57    53    55    60   3.62500 -1.0 2.0
   58    57    62    43   1.00000 -1.0 2.0
   58    57    62    63  -0.11900  1.0 1.0
   58    57    62    63   0.76850 -1.0 2.0
   58    57    62    63   0.14100  1.0 3.0
   62    43    46    47   1.00000 -1.0 2.0
   62    43   -46    50  -1.65800  1.0 1.0
   62    43   -46    50   0.77650 -1.0 2.0
   64    54    59    42   0.50950  1.0 1.0
   64    54    59    42   0.56650 -1.0 2.0
   64    54    59    42   0.34050  1.0 3.0
   64    54    59    66   0.50950  1.0 1.0
   64    54    59    66   0.56650 -1.0 2.0
   64    54    59    66   0.34050  1.0 3.0
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
   33    42    38    39  10.50000 -1.0 2.0
   38    59    42    44   1.10000 -1.0 2.0
   48    45    44    42   1.10000 -1.0 2.0
   44    51    48    49  10.50000 -1.0 2.0
   48    52    51    54   1.10000 -1.0 2.0
   59    64    54    51   1.10000 -1.0 2.0
   42    54    59    66   1.10000 -1.0 2.0
   40    67    66    59   1.10000 -1.0 2.0
   40    46    43    62   1.10000 -1.0 2.0
   43    50    46    47  10.50000 -1.0 2.0
   53    70    50    46   4.00000 -1.0 2.0
   55    57    53    50   4.00000 -1.0 2.0
   60    56    55    53   1.10000 -1.0 2.0
   68    61    60    55   4.00000 -1.0 2.0
   70    69    68    60   1.10000 -1.0 2.0
   68    71    70    50   4.00000 -1.0 2.0
   53    62    57    58  10.50000 -1.0 2.0
   57    63    62    43   1.10000 -1.0 2.0
END
