* LIGAND DATABASE FILE (OPLS2005)
*
001      70    74    140    224     395
    1     0 S   NP   _N1_     1    28.71258    96.65211   -23.69045
    2     1 S   H    _HN1     2     1.02790   107.48238   -93.85949
    3     1 S   H    _H1_     3     1.02948    69.67426     9.77819
    4     1 S   H    _H2_     4     1.02827    39.76683   168.95398
    5     1 S   CT   _CA1     5     1.50118   137.38845   108.20504
    6     5 S   HC   _HA1     6     1.09572   105.18111    95.87820
    7     5 S   CO3  _C1_     7     1.53785   112.48889   -24.35428
    8     7 S   O2Z  _O11     8     1.26375   115.00462   -41.93046
    9     7 S   O2Z  _O12     9     1.26240   114.94925   137.17845
   10     5 S   CT   _CB1    10     1.53072   107.41680  -146.12324
   11    10 S   HC   HB11    11     1.09836   109.37064   -49.41002
   12    10 S   HC   HB12    12     1.09812   110.44972    67.20159
   13    10 S   CT   _CG1    13     1.52997   112.61379  -170.36351
   14    13 S   HC   HG11    14     1.09576   110.67362   -66.20331
   15    13 S   HC   HG12    15     1.09670   109.74837    53.03742
   16    13 S   C    _CD1    16     1.51799   112.15261   173.51708
   17    16 S   O    _OE1    17     1.22736   123.25810     9.00289
   18    16 S   N    _N2_    18     1.38659   111.72609  -171.04779
   19    18 S   H    _HN2    19     1.01571   118.92434     1.77443
   20    18 S   CT1  _CA2    20     1.46206   123.39406   177.39827
   21    20 S   HC   _HA2    21     1.09734   109.34049     6.01647
   22    20 S   C    _C2_    22     1.53604   108.70833  -109.55893
   23    22 S   O    _O2_    23     1.23072   122.24561  -147.54546
   24    20 S   CT   _CB2    32     1.53315   111.59919   128.02101
   25    24 S   HC   HB21    33     1.09600   110.09019    56.63853
   26    24 S   HC   HB22    34     1.09444   110.08419   175.56416
   27    22 S   N    _N3_    24     1.38310   113.79939    39.84733
   28    27 S   H    _HN3    25     1.01564   119.63052    -3.05396
   29    24 S   S    _SG2    35     1.82682   111.62601   -64.13381
   30    27 S   CT   _CA3    26     1.45293   123.24982   177.24828
   31    30 S   HC   HA31    27     1.09548   107.49248   -65.20266
   32    30 S   HC   HA32    28     1.09556   108.01455    51.25245
   33    29 S   CT   _C11    36     1.83808    99.11430   176.57177
   34    33 S   HC   _H3_    37     1.08518   106.70005   -47.75372
   35    30 S   CO3  _C3_    29     1.52972   114.05393   173.26614
   36    35 S   O2Z  _O31    30     1.26380   116.06689    -0.60909
   37    35 S   O2Z  _O32    31     1.26424   114.42101   179.45500
   38    33 S   CM   _C4_    38     1.49344   109.21644  -171.23850
   39    38 S   CMA  _C5_    39     1.35293   109.88157   -96.62590
   40    39 S   OM   _O16    40     1.26263   128.01986   178.88970
   41    38 S   C3T  _C10    60     1.47388   121.02750    86.26606
   42    41 S   HC   _H27    61     1.08590   113.61634  -149.32158
   43    39 S   OS   _O18    41     1.43336   109.30873    -1.68772
   44    68 S   O3T  _O20    62     1.43659   114.13101   146.65900
   45    33 S   CT   _C15    42     1.52655   112.97797    78.44546
   46    45 S   HC   _H32    43     1.09641   111.62978   -32.78903
   47    45 S   CT   _C12    44     1.56352   117.84644  -160.60614
   48    47 S   HC   _H29    45     1.09269   109.14503   -85.62130
   49    47 S   CM   _C6_    46     1.49601   111.99399   157.19738
   50    49 S   CO4  _C7_    47     1.46955   110.49210  -119.72171
   51    50 S   O    _O17    48     1.21777   126.99000   176.85876
   52    49 S   CM   _C8_    68     1.33688   128.14270    61.62810
   53    52 S   HC   _H23    69     1.08518   120.83695    -0.44587
   54    52 S   HC   _H24    70     1.08505   121.88050   179.29751
   55    50 S   OS   _O19    49     1.35666   107.38375    -3.05274
   56    47 S   CT   _C13    50     1.53334   117.06439    40.30786
   57    56 S   HC   _H30    51     1.09084   112.67598     0.25101
   58    56 S   CT   _C9_    52     1.54598   114.32278  -125.52138
   59    58 S   HC   _H25    53     1.09838   108.32478  -177.02145
   60    58 S   HC   _H26    54     1.09790   109.35626   -63.61374
   61    58 S   C3T  _C17    55     1.51028   114.15658    60.24730
   62    61 S   C3T  _C16    56     1.52465   117.80559    56.41846
   63    62 S   HC   _H33    57     1.08620   118.00670     2.89949
   64    61 S   CT   _C18    64     1.50297   117.36755  -105.31782
   65    64 S   HC   _H34    65     1.09536   111.98474  -170.43283
   66    64 S   HC   _H35    66     1.09085   111.84070    68.96011
   67    64 S   HC   _H36    67     1.09519   110.20336   -51.20746
   68    62 S   C3T  _C14    58     1.51937   121.65231  -148.65300
   69    68 S   HC   _H31    59     1.08609   115.83597   -74.06183
   70    61 S   O3T  _O21    63     1.43986   115.69247   121.72503
  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
  15   7   2   1   1  12   9   3  10   4   6   6  10   4  14   7
   9   8   3   4   1   1   6   8   4  11   5   4   9   8   4   5
   3   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    45    46    47    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    45    46    47    48    49    56    68    41    42    44  
   38    39    43    45    46    47    41  
   36    37  
   37  
    0  
   39    40    43    45    46    47    62    68    69    41    42    44  
   40    43    45    46    47    68    41    42    44  
   43    45    41  
   42    44    70    43    45    61    62    63    68    69  
   44    62    68    69  
   45    46    47    48    49    56  
   70    61    62    63    68    69  
   46    47    48    49    50    55    56    57    58    52  
   47    48    49    56  
   48    49    50    51    55    56    57    58    59    60    61    52    53    54  
   49    50    55    56    57    58    52  
   50    51    55    56    57    58    52    53    54  
   51    55    56    57    58    52    53    54  
   55    56    52  
   53    54    55    56  
   54  
    0  
   56    57    58    59    60    61  
   57    58    59    60    61    62    70    64  
   58    59    60    61  
   59    60    61    62    63    68    70    64    65    66    67  
   60    61    62    70    64  
   61    62    70    64  
   62    63    68    69    70    64    65    66    67  
   63    68    69    70    64    65    66    67  
   68    69    70    64  
   65    66    67    68    70  
   66    67    70  
   67    70  
   70  
   69    70  
   70  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   41   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   44   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   465.000  1.376
   38    41   305.000  1.480
   39    40   745.000  1.250
   39    43   440.000  1.360
   43    45   320.000  1.410
   45    46   340.000  1.090
   45    47   268.000  1.529
   47    48   340.000  1.090
   47    49   317.000  1.510
   47    56   268.000  1.529
   49    50   320.000  1.462
   49    52   549.000  1.340
   50    51   570.000  1.229
   50    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   275.000  1.510
   61    62   260.000  1.509
   61    70   335.000  1.432
   61    64   275.000  1.510
   62    63   340.000  1.088
   62    68   260.000  1.509
   62    70   335.000  1.432
   68    69   340.000  1.088
   68    41   260.000  1.509
   68    44   335.000  1.432
   41    42   340.000  1.088
   41    44   335.000  1.432
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   52    53   340.000  1.080
   52    54   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    45    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    45    43    50.00000  109.50000
   33    45    46    37.50000  110.70000
   33    45    47    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    43    80.00000  120.01400
   38    41    68    60.00000  120.58800
   38    41    42    40.00000  112.45000
   38    41    44    85.00000  114.23300
   39    43    45    90.00000  111.18400
   43    39    40    65.00000  121.00000
   43    45    46    35.00000  109.50000
   43    45    47    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    47    48    37.50000  110.70000
   45    47    49    70.00000  112.02700
   45    47    56    58.35000  112.70000
   47    45    46    37.50000  110.70000
   47    49    50    65.00000  116.34900
   47    49    52    70.00000  124.00000
   47    56    55    50.00000  109.50000
   47    56    57    37.50000  110.70000
   47    56    58    58.35000  112.70000
   49    47    48    35.00000  109.50000
   49    50    51    80.00000  123.72100
   49    50    55    90.00000  111.29400
   49    52    53    35.00000  120.00000
   49    52    54    35.00000  120.00000
   50    55    56    83.00000  116.90000
   55    50    51    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    50.00000  109.50000
   56    47    48    37.50000  110.70000
   56    47    49    70.00000  112.02700
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    61    70.00000  112.37300
   58    56    57    37.50000  110.70000
   58    61    62    60.00000  120.94000
   58    61    70    80.00000  116.47100
   58    61    64    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    45.00000  109.38400
   61    58    60    45.00000  109.38400
   61    62    63    37.50000  117.20000
   61    62    68    60.00000  120.94000
   61    62    70    15.00000   60.43100
   61    70    62    15.00000   59.14900
   61    64    65    45.00000  109.38400
   61    64    66    45.00000  109.38400
   61    64    67    45.00000  109.38400
   62    68    69    37.50000  117.20000
   62    68    41    60.00000  120.94000
   62    68    44    80.00000  116.47100
   68    62    63    37.50000  117.20000
   68    41    42    37.50000  117.20000
   68    41    44    15.00000   60.43100
   68    44    41    15.00000   59.14900
   41    38    39    55.00000  125.06700
   41    68    69    37.50000  117.20000
   44    68    69    50.00000  114.27700
   44    68    41    15.00000   60.43100
   44    41    42    50.00000  114.27700
   70    61    62    15.00000   60.43100
   70    62    63    50.00000  114.27700
   70    62    68    80.00000  116.47100
   64    61    62    60.00000  120.94000
   64    61    70    80.00000  116.47100
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   52    49    50    65.00000  118.96000
   54    52    53    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    46   0.15000  1.0 3.0
   29    33    45    47   0.44750  1.0 1.0
   29    33    45    47  -0.17800 -1.0 2.0
   29    33    45    47   0.20200  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38   -39    43   7.00000 -1.0 2.0
   33    38    41    68   0.46850  1.0 1.0
   33    38    41    68   0.08550 -1.0 2.0
   33    38    41    68   0.09800  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    44   0.09700  1.0 1.0
   33    38    41    44   0.15600 -1.0 2.0
   33    38    41    44  -0.50800  1.0 3.0
   33    45    47    48   0.15000  1.0 3.0
   33    45    47    49   0.34400  1.0 1.0
   33    45    47    49   0.09450 -1.0 2.0
   33    45    47    49   0.11100  1.0 3.0
   33    45    47    56   0.56750  1.0 1.0
   33    45    47    56  -0.07550 -1.0 2.0
   33    45    47    56   0.20000  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    45    43   0.23400  1.0 3.0
   34    33    45    46   0.15000  1.0 3.0
   34    33    45    47   0.15000  1.0 3.0
   38    33   -45    43   0.61850  1.0 1.0
   38    33   -45    43  -0.22750 -1.0 2.0
   38    33   -45    43   0.15300  1.0 3.0
   38    33    45    46   0.15000  1.0 3.0
   38    33    45    47   0.34400  1.0 1.0
   38    33    45    47   0.09450 -1.0 2.0
   38    33    45    47   0.11100  1.0 3.0
   38    39   -43    45  -2.26850  1.0 1.0
   38    39   -43    45   3.39050 -1.0 2.0
   38    41   -44    68  -0.77900  1.0 1.0
   38    41   -44    68  -0.36900 -1.0 2.0
   38    41   -44    68   0.40400  1.0 3.0
   39    38    41    68   0.09850  1.0 1.0
   39    38    41    68   0.15250 -1.0 2.0
   39    38    41    68  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    44   0.39000  1.0 1.0
   39    38    41    44  -0.05800 -1.0 2.0
   39    38    41    44  -0.55150  1.0 3.0
   39    43   -45    33  -0.46850  1.0 1.0
   39    43   -45    33   0.09300 -1.0 2.0
   39    43   -45    33  -0.12850  1.0 3.0
   39    43    45    46   0.08050  1.0 3.0
   39    43    45    47  -0.46850  1.0 1.0
   39    43    45    47   0.09300 -1.0 2.0
   39    43    45    47  -0.12850  1.0 3.0
   40    39    43    45   2.00000 -1.0 2.0
   43    45    47    48   0.23400  1.0 3.0
   43    45    47    49   0.61850  1.0 1.0
   43    45    47    49  -0.22750 -1.0 2.0
   43    45    47    49   0.15300  1.0 3.0
   43    45    47    56   0.62750  1.0 1.0
   43    45    47    56  -0.30950 -1.0 2.0
   43    45    47    56   0.27300  1.0 3.0
   45    33   -38    39   0.09850  1.0 1.0
   45    33   -38    39   0.15250 -1.0 2.0
   45    33   -38    39  -0.50650  1.0 3.0
   45    33    38    41   0.46850  1.0 1.0
   45    33    38    41   0.08550 -1.0 2.0
   45    33    38    41   0.09800  1.0 3.0
   45    47    49    50   0.09700  1.0 1.0
   45    47    49    50   0.15600 -1.0 2.0
   45    47    49    50  -0.50800  1.0 3.0
   45    47    49    52   0.09850  1.0 1.0
   45    47    49    52   0.15250 -1.0 2.0
   45    47    49    52  -0.50650  1.0 3.0
   45    47    56    55   0.62750  1.0 1.0
   45    47    56    55  -0.30950 -1.0 2.0
   45    47    56    55   0.27300  1.0 3.0
   45    47    56    57   0.15000  1.0 3.0
   45    47    56    58   0.56750  1.0 1.0
   45    47    56    58  -0.07550 -1.0 2.0
   45    47    56    58   0.20000  1.0 3.0
   46    45    47    48   0.15000  1.0 3.0
   46    45    47    49   0.15000  1.0 3.0
   46    45    47    56   0.15000  1.0 3.0
   47    49    50    51  -0.64400  1.0 1.0
   47    49    50    51   0.26850 -1.0 2.0
   47    49   -50    55  -0.15000  1.0 1.0
   47    49   -50    55   0.89550 -1.0 2.0
   47    49   -50    55  -0.06900  1.0 3.0
   47    49    52    53   7.00000 -1.0 2.0
   47    49    52    54   7.00000 -1.0 2.0
   47    56    58    59   0.15000  1.0 3.0
   47    56    58    60   0.15000  1.0 3.0
   47    56    58    61   0.47050  1.0 1.0
   47    56    58    61   0.03900 -1.0 2.0
   47    56    58    61   0.20100  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52   0.00000  1.0 1.0
   48    47    56    55   0.23400  1.0 3.0
   48    47    56    57   0.15000  1.0 3.0
   48    47    56    58   0.15000  1.0 3.0
   49    47   -56    55   0.61850  1.0 1.0
   49    47   -56    55  -0.22750 -1.0 2.0
   49    47   -56    55   0.15300  1.0 3.0
   49    47    56    57   0.15000  1.0 3.0
   49    47    56    58   0.34400  1.0 1.0
   49    47    56    58   0.09450 -1.0 2.0
   49    47    56    58   0.11100  1.0 3.0
   49    50   -55    56   2.00000 -1.0 2.0
   50    49    52    53   7.00000 -1.0 2.0
   50    49    52    54   7.00000 -1.0 2.0
   50    55   -56    47  -0.25900  1.0 1.0
   50    55   -56    47  -0.47000 -1.0 2.0
   50    55   -56    47   0.11750  1.0 3.0
   50    55    56    57   0.08050  1.0 3.0
   50    55    56    58  -0.25900  1.0 1.0
   50    55    56    58  -0.47000 -1.0 2.0
   50    55    56    58   0.11750  1.0 3.0
   51    50    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.23400  1.0 3.0
   55    56    58    60   0.23400  1.0 3.0
   55    56    58    61  -0.26800  1.0 1.0
   55    56    58    61   0.69150 -1.0 2.0
   55    56    58    61  -0.48750  1.0 3.0
   56    47   -49    50   0.09700  1.0 1.0
   56    47   -49    50   0.15600 -1.0 2.0
   56    47   -49    50  -0.50800  1.0 3.0
   56    47    49    52   0.09850  1.0 1.0
   56    47    49    52   0.15250 -1.0 2.0
   56    47    49    52  -0.50650  1.0 3.0
   56    58    61    62   0.07850  1.0 1.0
   56    58    61    62  -0.03950 -1.0 2.0
   56    58    61    62   0.67350  1.0 3.0
   56    58    61    70   0.02550  1.0 1.0
   56    58    61    70  -0.02600 -1.0 2.0
   56    58    61    70   1.20400  1.0 3.0
   56    58    61    64   0.56750  1.0 1.0
   56    58    61    64  -0.07550 -1.0 2.0
   56    58    61    64   0.20000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    61   0.15000  1.0 3.0
   58    61    62    63   0.15000  1.0 3.0
   58    61    62    68   0.07850  1.0 1.0
   58    61    62    68  -0.03950 -1.0 2.0
   58    61    62    68   0.67350  1.0 3.0
   58    61   -62    70   0.02550  1.0 1.0
   58    61   -62    70  -0.02600 -1.0 2.0
   58    61   -62    70   1.20400  1.0 3.0
   58    61   -70    62   0.06250  1.0 1.0
   58    61   -70    62  -0.01100 -1.0 2.0
   58    61   -70    62   0.28050  1.0 3.0
   58    61    64    65   0.15000  1.0 3.0
   58    61    64    66   0.15000  1.0 3.0
   58    61    64    67   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    70   0.23400  1.0 3.0
   59    58    61    64   0.15000  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    70   0.23400  1.0 3.0
   60    58    61    64   0.15000  1.0 3.0
   61    62    68    69   0.15000  1.0 3.0
   61    62    68    41   0.07850  1.0 1.0
   61    62    68    41  -0.03950 -1.0 2.0
   61    62    68    41   0.67350  1.0 3.0
   61    62    68    44   0.02550  1.0 1.0
   61    62    68    44  -0.02600 -1.0 2.0
   61    62    68    44   1.20400  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   62    68    41    38   0.34400  1.0 1.0
   62    68    41    38   0.09450 -1.0 2.0
   62    68    41    38   0.11100  1.0 3.0
   62    68    41    42   0.15000  1.0 3.0
   62    68   -41    44   0.02550  1.0 1.0
   62    68   -41    44  -0.02600 -1.0 2.0
   62    68   -41    44   1.20400  1.0 3.0
   62    68   -44    41   0.06250  1.0 1.0
   62    68   -44    41  -0.01100 -1.0 2.0
   62    68   -44    41   0.28050  1.0 3.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    41   0.15000  1.0 3.0
   63    62    68    44   0.23400  1.0 3.0
   63    62   -70    61   0.36800  1.0 3.0
   68    62   -70    61   0.06250  1.0 1.0
   68    62   -70    61  -0.01100 -1.0 2.0
   68    62   -70    61   0.28050  1.0 3.0
   69    68    41    38   0.15000  1.0 3.0
   69    68    41    42   0.15000  1.0 3.0
   69    68   -41    44   0.23400  1.0 3.0
   69    68   -44    41   0.36800  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    43   7.00000 -1.0 2.0
   42    41   -44    68   0.36800  1.0 3.0
   44    68   -41    38   0.61850  1.0 1.0
   44    68   -41    38  -0.22750 -1.0 2.0
   44    68   -41    38   0.15300  1.0 3.0
   44    68   -41    42   0.23400  1.0 3.0
   70    61   -62    63   0.23400  1.0 3.0
   70    61   -62    68   0.02550  1.0 1.0
   70    61   -62    68  -0.02600 -1.0 2.0
   70    61   -62    68   1.20400  1.0 3.0
   70    61    64    65   0.23400  1.0 3.0
   70    61    64    66   0.23400  1.0 3.0
   70    61    64    67   0.23400  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    41   0.02550  1.0 1.0
   70    62    68    41  -0.02600 -1.0 2.0
   70    62    68    41   1.20400  1.0 3.0
   70    62    68    44   1.11900  1.0 1.0
   70    62    68    44  -1.16350 -1.0 2.0
   70    62    68    44  -0.34150  1.0 3.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.07850  1.0 1.0
   64    61    62    68  -0.03950 -1.0 2.0
   64    61    62    68   0.67350  1.0 3.0
   64    61   -62    70   0.02550  1.0 1.0
   64    61   -62    70  -0.02600 -1.0 2.0
   64    61   -62    70   1.20400  1.0 3.0
   64    61   -70    62   0.06250  1.0 1.0
   64    61   -70    62  -0.01100 -1.0 2.0
   64    61   -70    62   0.28050  1.0 3.0
   52    49    50    51   1.00000 -1.0 2.0
   52    49    50    55  -0.56150  1.0 1.0
   52    49    50    55   2.19150 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   40    43    39    38   1.10000 -1.0 2.0
   47    50    49    52   1.10000 -1.0 2.0
   49    55    50    51  10.50000 -1.0 2.0
   53    54    52    49   1.10000 -1.0 2.0
END
