* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    141    218     411
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02072    32.89668   169.22669
    3     1 S   H    _H1_     3     1.02135    91.28365   -67.10412
    4     1 S   H    _H2_     4     1.02026    89.25982    41.62917
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C18    36     1.85964    96.97228   159.99134
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C5_    37     1.52304   106.35992   180.00000
   38    37 S   HC   _H21    38     1.09131   115.88791    55.39101
   39    33 S   CM   _C6_    67     1.52472   106.60401   -63.75440
   40    39 S   HC   _H22    68     1.09302   115.10009   -55.24273
   41    33 S   CT   _C17    72     1.54074   105.69734    58.50473
   42    41 S   HC   _H38    73     1.09701   112.00309   -63.55861
   43    41 S   HC   _H39    74     1.09810   111.95270    56.93665
   44    41 S   HC   _H40    75     1.09668   111.41429   176.61147
   45    37 S   CM   _C4_    39     1.34399   127.65879  -125.39885
   46    45 S   HC   _H20    40     1.08521   119.66012     0.27411
   47    39 S   CMA  _C7_    69     1.34931   128.22900   125.56555
   48    47 S   OM   _O16    70     1.26031   131.29548   179.69868
   49    47 S   HC   _H23    71     1.08844   113.80953    -0.21761
   50    45 S   C3T  _C11    41     1.47621   125.30133  -179.63738
   51    50 S   CT   _C12    42     1.51130   115.58270   -89.95413
   52    50 S   O3T  _O17    52     1.43027   117.55976    52.49615
   53    51 S   CT   _C8_    43     1.55351   111.57057  -165.45655
   54    53 S   HC   _H24    44     1.09892   109.29299   -77.72032
   55    53 S   HC   _H25    45     1.09740   109.59226   166.16894
   56    51 S   CT   _C14    59     1.54233   108.67158   -42.72270
   57    56 S   HC   _H29    60     1.08099   108.75096    56.90022
   58    56 S   HC   _H30    61     1.08182   108.71558   -63.07096
   59    56 S   HC   _H31    62     1.08141   108.66821   176.92827
   60    51 S   CT   _C15    63     1.54146   109.32917    74.44239
   61    60 S   HC   _H32    64     1.08232   108.82063   -58.06492
   62    60 S   HC   _H33    65     1.08245   108.82280  -178.06245
   63    60 S   HC   _H34    66     1.08237   108.82281    61.90297
   64    53 S   CT   _C10    46     1.53222   114.83990    42.88433
   65    64 S   HC   _H28    47     1.09752   108.67778  -179.14088
   66    64 S   CT   _C9_    48     1.52930   112.31921   -58.73897
   67    66 S   HC   _H26    49     1.09694   109.26563   166.31524
   68    66 S   HC   _H27    50     1.09745   109.14016   -77.19197
   69    64 S   OH   _O18    57     1.42200   110.40036    64.55648
   70    69 S   HO   _H41    58     0.97053   106.72084  -180.00000
   71    50 S   C3T  _C13    51     1.50771   116.16124   119.05729
   72    71 S   CT   _C16    53     1.49384   120.56685   -10.06054
   73    72 S   HC   _H35    54     1.10030   111.41127   -14.99879
   74    72 S   HC   _H36    55     1.10069   111.40048  -134.92786
   75    72 S   HC   _H37    56     1.09930   111.48493   105.02813
  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  11   5   4   3
  14   2   1   1  14   5   9   4   5   2   1   1  10   4   2   1
   1  22  18  12  18   7   6   9   3   2   1   5   2   1   1   8
   6   9   4   3   2   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    71    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    53    66    71    52    72    56    60  
   50    51    71    52  
   48    49  
   49  
    0  
   51    53    54    55    64    66    67    68    71    52    72    73    74    75    56    57    58    59    60    61    62    63  
   53    54    55    64    65    66    71    52    72    69    56    57    58    59    60    61    62    63  
   72    73    74    75    56    60    53    64    66    67    68    71  
   54    55    64    65    66    67    68    71    69    70    56    57    58    59    60    61    62    63  
   55    64    65    66    69    56    60  
   64    65    66    69    56    60  
   57    58    59    60    61    62    63    64    71  
   58    59    60  
   59    60  
   60  
   61    62    63    64    71  
   62    63  
   63  
    0  
   65    66    67    68    71    72    69    70  
   66    67    68    71    69    70  
   67    68    71    72    73    74    75    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   305.000  1.480
   50    51   275.000  1.510
   50    71   260.000  1.509
   50    52   335.000  1.432
   51    53   268.000  1.529
   51    56   268.000  1.529
   51    60   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   275.000  1.510
   71    52   335.000  1.432
   71    72   275.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   69    70   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   335.000  1.111
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    55.00000  125.06700
   45    37    38    35.00000  120.00000
   45    50    51    65.00000  117.55000
   45    50    71    60.00000  120.58800
   45    50    52    85.00000  114.23300
   50    45    46    40.00000  117.24000
   50    51    53    70.00000  112.37300
   50    51    56    70.00000  112.37300
   50    51    60    70.00000  112.37300
   50    71    66    60.00000  120.94000
   50    71    52    15.00000   60.43100
   50    71    72    60.00000  120.94000
   50    52    71    15.00000   59.14900
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    64    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   53    64    65    37.50000  110.70000
   53    64    66    58.35000  112.70000
   53    64    69    50.00000  109.50000
   55    53    54    33.00000  107.80000
   64    53    54    37.50000  110.70000
   64    53    55    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    70.00000  112.37300
   64    69    70    55.00000  108.50000
   66    64    65    37.50000  110.70000
   66    71    52    80.00000  116.47100
   66    71    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    50    51    60.00000  120.94000
   71    66    67    45.00000  109.38400
   71    66    68    45.00000  109.38400
   71    72    73    45.00000  109.38400
   71    72    74    45.00000  109.38400
   71    72    75    45.00000  109.38400
   52    50    51    80.00000  116.47100
   52    50    71    15.00000   60.43100
   72    71    52    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    50.00000  109.50000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    51    53    58.35000  112.70000
   60    51    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    45.00000  105.30000
   47    39    40    40.00000  120.50800
   49    47    48    50.00000  124.16400
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51   0.09850  1.0 1.0
   37    45    50    51   0.15250 -1.0 2.0
   37    45    50    51  -0.50650  1.0 3.0
   37    45    50    71   0.09850  1.0 1.0
   37    45    50    71   0.15250 -1.0 2.0
   37    45    50    71  -0.50650  1.0 3.0
   37    45    50    52   0.39000  1.0 1.0
   37    45    50    52  -0.05800 -1.0 2.0
   37    45    50    52  -0.55150  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    51    53   0.34400  1.0 1.0
   45    50    51    53   0.09450 -1.0 2.0
   45    50    51    53   0.11100  1.0 3.0
   45    50    51    56   0.34400  1.0 1.0
   45    50    51    56   0.09450 -1.0 2.0
   45    50    51    56   0.11100  1.0 3.0
   45    50    51    60   0.34400  1.0 1.0
   45    50    51    60   0.09450 -1.0 2.0
   45    50    51    60   0.11100  1.0 3.0
   45    50    71    66   0.34400  1.0 1.0
   45    50    71    66   0.09450 -1.0 2.0
   45    50    71    66   0.11100  1.0 3.0
   45    50   -71    52   0.61850  1.0 1.0
   45    50   -71    52  -0.22750 -1.0 2.0
   45    50   -71    52   0.15300  1.0 3.0
   45    50    71    72   0.34400  1.0 1.0
   45    50    71    72   0.09450 -1.0 2.0
   45    50    71    72   0.11100  1.0 3.0
   45    50   -52    71  -0.77900  1.0 1.0
   45    50   -52    71  -0.36900 -1.0 2.0
   45    50   -52    71   0.40400  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    71   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   50    51    53    54   0.15000  1.0 3.0
   50    51    53    55   0.15000  1.0 3.0
   50    51    53    64   0.47050  1.0 1.0
   50    51    53    64   0.03900 -1.0 2.0
   50    51    53    64   0.20100  1.0 3.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    59   0.15000  1.0 3.0
   50    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    71    72    73   0.15000  1.0 3.0
   50    71    72    74   0.15000  1.0 3.0
   50    71    72    75   0.15000  1.0 3.0
   51    50    71    66   0.56750  1.0 1.0
   51    50    71    66  -0.07550 -1.0 2.0
   51    50    71    66   0.20000  1.0 3.0
   51    50   -71    52   0.02550  1.0 1.0
   51    50   -71    52  -0.02600 -1.0 2.0
   51    50   -71    52   1.20400  1.0 3.0
   51    50    71    72   0.56750  1.0 1.0
   51    50    71    72  -0.07550 -1.0 2.0
   51    50    71    72   0.20000  1.0 3.0
   51    50   -52    71   0.06250  1.0 1.0
   51    50   -52    71  -0.01100 -1.0 2.0
   51    50   -52    71   0.28050  1.0 3.0
   51    53    64    65   0.15000  1.0 3.0
   51    53   -64    66   0.56750  1.0 1.0
   51    53   -64    66  -0.07550 -1.0 2.0
   51    53   -64    66   0.20000  1.0 3.0
   51    53    64    69   0.86500  1.0 1.0
   51    53    64    69  -0.17500 -1.0 2.0
   51    53    64    69   0.20800  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   53    64    66    67   0.15000  1.0 3.0
   53    64    66    68   0.15000  1.0 3.0
   53    64    66    71   0.47050  1.0 1.0
   53    64    66    71   0.03900 -1.0 2.0
   53    64    66    71   0.20100  1.0 3.0
   53    64    69    70  -0.11600  1.0 1.0
   53    64    69    70  -0.09450 -1.0 2.0
   53    64    69    70   0.21250  1.0 3.0
   54    53    64    65   0.15000  1.0 3.0
   54    53    64    66   0.15000  1.0 3.0
   54    53    64    69   0.23400  1.0 3.0
   55    53    64    65   0.15000  1.0 3.0
   55    53    64    66   0.15000  1.0 3.0
   55    53    64    69   0.23400  1.0 3.0
   64    66   -71    50   0.07850  1.0 1.0
   64    66   -71    50  -0.03950 -1.0 2.0
   64    66   -71    50   0.67350  1.0 3.0
   64    66    71    52   0.02550  1.0 1.0
   64    66    71    52  -0.02600 -1.0 2.0
   64    66    71    52   1.20400  1.0 3.0
   64    66    71    72   0.56750  1.0 1.0
   64    66    71    72  -0.07550 -1.0 2.0
   64    66    71    72   0.20000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70  -0.11600  1.0 1.0
   66    64    69    70  -0.09450 -1.0 2.0
   66    64    69    70   0.21250  1.0 3.0
   66    71   -52    50   0.06250  1.0 1.0
   66    71   -52    50  -0.01100 -1.0 2.0
   66    71   -52    50   0.28050  1.0 3.0
   66    71    72    73   0.15000  1.0 3.0
   66    71    72    74   0.15000  1.0 3.0
   66    71    72    75   0.15000  1.0 3.0
   67    66    71    50   0.15000  1.0 3.0
   67    66    71    52   0.23400  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   68    66    71    50   0.15000  1.0 3.0
   68    66    71    52   0.23400  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   71    50   -51    53   0.07850  1.0 1.0
   71    50   -51    53  -0.03950 -1.0 2.0
   71    50   -51    53   0.67350  1.0 3.0
   71    50    51    56   0.07850  1.0 1.0
   71    50    51    56  -0.03950 -1.0 2.0
   71    50    51    56   0.67350  1.0 3.0
   71    50    51    60   0.07850  1.0 1.0
   71    50    51    60  -0.03950 -1.0 2.0
   71    50    51    60   0.67350  1.0 3.0
   52    50    51    53   0.02550  1.0 1.0
   52    50    51    53  -0.02600 -1.0 2.0
   52    50    51    53   1.20400  1.0 3.0
   52    50    51    56   0.02550  1.0 1.0
   52    50    51    56  -0.02600 -1.0 2.0
   52    50    51    56   1.20400  1.0 3.0
   52    50    51    60   0.02550  1.0 1.0
   52    50    51    60  -0.02600 -1.0 2.0
   52    50    51    60   1.20400  1.0 3.0
   52    50   -71    66   0.02550  1.0 1.0
   52    50   -71    66  -0.02600 -1.0 2.0
   52    50   -71    66   1.20400  1.0 3.0
   52    50   -71    72   0.02550  1.0 1.0
   52    50   -71    72  -0.02600 -1.0 2.0
   52    50   -71    72   1.20400  1.0 3.0
   52    71    72    73   0.23400  1.0 3.0
   52    71    72    74   0.23400  1.0 3.0
   52    71    72    75   0.23400  1.0 3.0
   72    71   -52    50   0.06250  1.0 1.0
   72    71   -52    50  -0.01100 -1.0 2.0
   72    71   -52    50   0.28050  1.0 3.0
   69    64    66    67   0.23400  1.0 3.0
   69    64    66    68   0.23400  1.0 3.0
   69    64    66    71   0.86500  1.0 1.0
   69    64    66    71  -0.17500 -1.0 2.0
   69    64    66    71   0.20800  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    64   0.56750  1.0 1.0
   56    51    53    64  -0.07550 -1.0 2.0
   56    51    53    64   0.20000  1.0 3.0
   56    51    60    61   0.15000  1.0 3.0
   56    51    60    62   0.15000  1.0 3.0
   56    51    60    63   0.15000  1.0 3.0
   60    51    53    54   0.15000  1.0 3.0
   60    51    53    55   0.15000  1.0 3.0
   60    51    53    64   0.56750  1.0 1.0
   60    51    53    64  -0.07550 -1.0 2.0
   60    51    53    64   0.20000  1.0 3.0
   60    51    56    57   0.15000  1.0 3.0
   60    51    56    58   0.15000  1.0 3.0
   60    51    56    59   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
