* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    145    236     439
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    99.60173   -50.26126
    3     1 S   H    _H1_     3     1.02053    78.64750    57.02403
    4     1 S   H    _H2_     4     1.02143    36.91648  -158.68818
    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     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C9_    36     1.81317    98.37680  -178.13985
   34    33 S   HC   _H3_    37     1.09731   107.79032    40.14584
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C4_    38     1.49681   110.75478   -80.02972
   39    38 S   HC   _H22    39     1.08431   122.22430    72.39982
   40    38 S   CMA  _C5_    40     1.34781   114.16558  -108.71931
   41    40 S   OM   _O16    41     1.25855   132.90910   179.63846
   42    40 S   CT   _C14    42     1.55592   109.87716     3.11634
   43    42 S   CT   _C7_    43     1.57776   116.86358  -142.16413
   44    43 S   HC   _H23    44     1.09425   108.63941   -22.79052
   45    43 S   HC   _H24    45     1.09910   109.61761  -136.26991
   46    33 S   CT   _C11    55     1.54336   118.23008   165.11406
   47    46 S   HC   _H29    56     1.10091   101.35475  -157.61174
   48    42 S   CT   _C17    72     1.55353   107.38766    97.10868
   49    48 S   HC   _H35    73     1.07993   108.52051  -179.97202
   50    48 S   HC   _H36    74     1.07954   108.53876    59.99196
   51    48 S   HC   _H37    75     1.08088   108.48341   -60.00785
   52    43 S   CT   _C10    46     1.54359   116.98054   100.52141
   53    52 S   HC   _H28    47     1.09575   108.36076   -51.22120
   54    52 S   CT   _C13    48     1.54095   113.33794    71.38677
   55    54 S   HC   _H31    49     1.09665   110.04890  -149.34925
   56    54 S   CT   _C8_    50     1.53350   118.72323   -21.96087
   57    56 S   HC   _H25    51     1.09972   108.19770   175.62422
   58    56 S   HC   _H26    52     1.09612   108.85523    64.61122
   59    54 S   OS   _O18    61     1.44572   105.14646    96.09563
   60    56 S   CT   _C12    53     1.53894   117.12224   -60.52850
   61    60 S   HC   _H30    54     1.09918   106.74785   164.53377
   62    59 S   CO4  _C6_    62     1.36291   111.15008    17.08790
   63    62 S   O    _O17    63     1.22061   124.23595  -179.96044
   64    60 S   CT   _C16    57     1.53565   109.71596   -79.82428
   65    64 S   HC   _H32    58     1.08519   109.35711    64.53107
   66    64 S   HC   _H33    59     1.08558   109.32277   -55.51260
   67    64 S   HC   _H34    60     1.08566   109.35709  -175.46948
   68    52 S   CT   _C15    64     1.53677   115.12820  -172.15778
   69    68 S   CT   _C18    65     1.51862   117.66176    30.75540
   70    69 S   HC   _H38    66     1.09283   110.23308    59.67613
   71    69 S   HC   _H39    67     1.09247   110.30499   -61.16195
   72    68 S   OH   _O19    70     1.42825   109.88253   156.12459
   73    72 S   HO   _H40    71     0.96894   106.34881   169.78681
   74    69 S   OH   _O20    68     1.41785   108.86516   179.20598
   75    74 S   HO   _H41    69     0.97180   106.95926   179.97202
  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
  14   7   2   1   1   9   4  13   4  17  19   7   6  16   5   5
   2   1   1  17   8  13   7  11   5   4   6   5   4   8   3   3
   2   1   1   7   6   4   3   2   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    60    46    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    56    60    61    46    47    64    48  
   38    39    40    42    60    46    47  
   36    37  
   37  
    0  
   39    40    41    42    43    60    46    47    48  
   40    41    42    46  
   41    42    43    44    45    52    60    46    47    48    49    50    51  
   42    43    46    48  
   43    44    45    52    53    54    56    60    61    46    47    64    68    48    49    50    51  
   44    45    52    53    54    55    56    60    46    47    59    62    68    69    72    48    49    50    51  
   45    52    53    54    46    68    48  
   52    53    54    46    68    48  
   47    64    65    66    67    48    49    50    51    52    54    56    57    58    60    61  
   64    48    56    60    61  
   49    50    51    52    60  
   50    51  
   51  
    0  
   53    54    55    56    57    58    60    59    62    63    68    69    70    71    74    72    73  
   54    55    56    59    62    68    69    72  
   55    56    57    58    60    61    64    59    62    63    68    69    72  
   56    57    58    60    59    62    68  
   57    58    60    61    64    65    66    67    59    62    68  
   58    60    61    64    59  
   60    61    64    59  
   62    63    68    69    72    60  
   61    64    65    66    67  
   64    65    66    67  
   63    68    69    70    71    74    72    73  
   68    69    72  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    74    75    72    73  
   70    71    74    75    72    73  
   71    74    75    72  
   74    75    72  
   73    74  
    0  
   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   0.107500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   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   340.000  1.090
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    46   268.000  1.529
   42    48   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    52   268.000  1.529
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    68   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    60   268.000  1.529
   60    61   340.000  1.090
   60    46   268.000  1.529
   60    64   268.000  1.529
   46    47   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   59    62   214.000  1.327
   62    63   570.000  1.229
   62    68   317.000  1.522
   68    69   268.000  1.529
   68    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   320.000  1.410
   74    75   553.000  0.945
   72    73   553.000  0.945
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    42    58.35000  112.70000
   33    46    60    58.35000  112.70000
   33    46    47    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    46    70.00000  112.02700
   40    42    48    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    45    37.50000  110.70000
   42    43    52    58.35000  112.70000
   42    46    60    58.35000  112.70000
   42    46    47    37.50000  110.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    51    37.50000  110.70000
   43    52    53    37.50000  110.70000
   43    52    54    58.35000  112.70000
   43    52    68    58.35000  112.70000
   45    43    44    33.00000  107.80000
   52    43    44    37.50000  110.70000
   52    43    45    37.50000  110.70000
   52    54    55    37.50000  110.70000
   52    54    56    58.35000  112.70000
   52    54    59    50.00000  109.50000
   52    68    62    63.00000  111.10000
   52    68    69    58.35000  112.70000
   52    68    72    50.00000  109.50000
   54    52    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    37.50000  110.70000
   54    56    60    58.35000  112.70000
   54    59    62    83.00000  116.90000
   56    54    55    37.50000  110.70000
   56    60    61    37.50000  110.70000
   56    60    46    58.35000  112.70000
   56    60    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   60    56    57    37.50000  110.70000
   60    56    58    37.50000  110.70000
   60    46    47    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    42    43    58.35000  112.70000
   46    60    61    37.50000  110.70000
   64    60    61    37.50000  110.70000
   64    60    46    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   59    54    55    35.00000  109.50000
   59    54    56    50.00000  109.50000
   59    62    63    83.00000  123.40000
   59    62    68    81.00000  111.40000
   62    68    69    63.00000  111.10000
   62    68    72    90.00000  109.61100
   68    52    53    37.50000  110.70000
   68    52    54    58.35000  112.70000
   68    62    63    80.00000  120.40000
   68    69    70    37.50000  110.70000
   68    69    71    37.50000  110.70000
   68    69    74    50.00000  109.50000
   68    72    73    55.00000  108.50000
   69    74    75    55.00000  108.50000
   71    69    70    33.00000  107.80000
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   72    68    69    50.00000  109.50000
   48    42    43    58.35000  112.70000
   48    42    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    42   0.44750  1.0 1.0
   29    33    46    42  -0.17800 -1.0 2.0
   29    33    46    42   0.20200  1.0 3.0
   29    33    46    60   0.44750  1.0 1.0
   29    33    46    60  -0.17800 -1.0 2.0
   29    33    46    60   0.20200  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    42   0.15000  1.0 3.0
   34    33    46    60   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   38    33   -46    42   0.34400  1.0 1.0
   38    33   -46    42   0.09450 -1.0 2.0
   38    33   -46    42   0.11100  1.0 3.0
   38    33    46    60   0.34400  1.0 1.0
   38    33    46    60   0.09450 -1.0 2.0
   38    33    46    60   0.11100  1.0 3.0
   38    33    46    47   0.15000  1.0 3.0
   38    40    42    43   0.09850  1.0 1.0
   38    40    42    43   0.15250 -1.0 2.0
   38    40    42    43  -0.50650  1.0 3.0
   38    40   -42    46   0.09850  1.0 1.0
   38    40   -42    46   0.15250 -1.0 2.0
   38    40   -42    46  -0.50650  1.0 3.0
   38    40    42    48   0.09850  1.0 1.0
   38    40    42    48   0.15250 -1.0 2.0
   38    40    42    48  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    45   0.15000  1.0 3.0
   40    42    43    52   0.34400  1.0 1.0
   40    42    43    52   0.09450 -1.0 2.0
   40    42    43    52   0.11100  1.0 3.0
   40    42   -46    33   0.34400  1.0 1.0
   40    42   -46    33   0.09450 -1.0 2.0
   40    42   -46    33   0.11100  1.0 3.0
   40    42    46    60   0.34400  1.0 1.0
   40    42    46    60   0.09450 -1.0 2.0
   40    42    46    60   0.11100  1.0 3.0
   40    42    46    47   0.15000  1.0 3.0
   40    42    48    49   0.15000  1.0 3.0
   40    42    48    50   0.15000  1.0 3.0
   40    42    48    51   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    46   0.09700  1.0 1.0
   41    40    42    46   0.15600 -1.0 2.0
   41    40    42    46  -0.50800  1.0 3.0
   41    40    42    48   0.09700  1.0 1.0
   41    40    42    48   0.15600 -1.0 2.0
   41    40    42    48  -0.50800  1.0 3.0
   42    43    52    53   0.15000  1.0 3.0
   42    43    52    54   0.56750  1.0 1.0
   42    43    52    54  -0.07550 -1.0 2.0
   42    43    52    54   0.20000  1.0 3.0
   42    43    52    68   0.56750  1.0 1.0
   42    43    52    68  -0.07550 -1.0 2.0
   42    43    52    68   0.20000  1.0 3.0
   43    42    46    33   0.56750  1.0 1.0
   43    42    46    33  -0.07550 -1.0 2.0
   43    42    46    33   0.20000  1.0 3.0
   43    42    46    60   0.56750  1.0 1.0
   43    42    46    60  -0.07550 -1.0 2.0
   43    42    46    60   0.20000  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    51   0.15000  1.0 3.0
   43    52    54    55   0.15000  1.0 3.0
   43    52    54    56   0.56750  1.0 1.0
   43    52    54    56  -0.07550 -1.0 2.0
   43    52    54    56   0.20000  1.0 3.0
   43    52    54    59   0.62750  1.0 1.0
   43    52    54    59  -0.30950 -1.0 2.0
   43    52    54    59   0.27300  1.0 3.0
   43    52    68    62  -0.95700  1.0 1.0
   43    52    68    62  -0.18200 -1.0 2.0
   43    52    68    62   0.29450  1.0 3.0
   43    52    68    69   0.56750  1.0 1.0
   43    52    68    69  -0.07550 -1.0 2.0
   43    52    68    69   0.20000  1.0 3.0
   43    52    68    72   0.86500  1.0 1.0
   43    52    68    72  -0.17500 -1.0 2.0
   43    52    68    72   0.20800  1.0 3.0
   44    43    52    53   0.15000  1.0 3.0
   44    43    52    54   0.15000  1.0 3.0
   44    43    52    68   0.15000  1.0 3.0
   45    43    52    53   0.15000  1.0 3.0
   45    43    52    54   0.15000  1.0 3.0
   45    43    52    68   0.15000  1.0 3.0
   52    54    56    57   0.15000  1.0 3.0
   52    54    56    58   0.15000  1.0 3.0
   52    54    56    60   0.56750  1.0 1.0
   52    54    56    60  -0.07550 -1.0 2.0
   52    54    56    60   0.20000  1.0 3.0
   52    54   -59    62  -0.25900  1.0 1.0
   52    54   -59    62  -0.47000 -1.0 2.0
   52    54   -59    62   0.11750  1.0 3.0
   52    68    69    70   0.15000  1.0 3.0
   52    68    69    71   0.15000  1.0 3.0
   52    68    69    74   0.86500  1.0 1.0
   52    68    69    74  -0.17500 -1.0 2.0
   52    68    69    74   0.20800  1.0 3.0
   52    68    72    73  -0.11600  1.0 1.0
   52    68    72    73  -0.09450 -1.0 2.0
   52    68    72    73   0.21250  1.0 3.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    59   0.23400  1.0 3.0
   53    52    68    62  -0.11250  1.0 3.0
   53    52    68    69   0.15000  1.0 3.0
   53    52    68    72   0.23400  1.0 3.0
   54    52   -68    62  -0.95700  1.0 1.0
   54    52   -68    62  -0.18200 -1.0 2.0
   54    52   -68    62   0.29450  1.0 3.0
   54    52    68    69   0.56750  1.0 1.0
   54    52    68    69  -0.07550 -1.0 2.0
   54    52    68    69   0.20000  1.0 3.0
   54    52    68    72   0.86500  1.0 1.0
   54    52    68    72  -0.17500 -1.0 2.0
   54    52    68    72   0.20800  1.0 3.0
   54    56    60    61   0.15000  1.0 3.0
   54    56    60    46   0.56750  1.0 1.0
   54    56    60    46  -0.07550 -1.0 2.0
   54    56    60    46   0.20000  1.0 3.0
   54    56    60    64   0.56750  1.0 1.0
   54    56    60    64  -0.07550 -1.0 2.0
   54    56    60    64   0.20000  1.0 3.0
   54    59    62    63   3.00000 -1.0 2.0
   54    59   -62    68   1.63150  1.0 1.0
   54    59   -62    68   2.92000 -1.0 2.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    60   0.15000  1.0 3.0
   55    54    59    62   0.08050  1.0 3.0
   56    54    59    62  -0.25900  1.0 1.0
   56    54    59    62  -0.47000 -1.0 2.0
   56    54    59    62   0.11750  1.0 3.0
   56    60    46    33   0.56750  1.0 1.0
   56    60    46    33  -0.07550 -1.0 2.0
   56    60    46    33   0.20000  1.0 3.0
   56    60    46    42   0.56750  1.0 1.0
   56    60    46    42  -0.07550 -1.0 2.0
   56    60    46    42   0.20000  1.0 3.0
   56    60    46    47   0.15000  1.0 3.0
   56    60    64    65   0.15000  1.0 3.0
   56    60    64    66   0.15000  1.0 3.0
   56    60    64    67   0.15000  1.0 3.0
   57    56    60    61   0.15000  1.0 3.0
   57    56    60    46   0.15000  1.0 3.0
   57    56    60    64   0.15000  1.0 3.0
   58    56    60    61   0.15000  1.0 3.0
   58    56    60    46   0.15000  1.0 3.0
   58    56    60    64   0.15000  1.0 3.0
   61    60    46    33   0.15000  1.0 3.0
   61    60    46    42   0.15000  1.0 3.0
   61    60    46    47   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    45   0.15000  1.0 3.0
   46    42    43    52   0.56750  1.0 1.0
   46    42    43    52  -0.07550 -1.0 2.0
   46    42    43    52   0.20000  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    50   0.15000  1.0 3.0
   46    42    48    51   0.15000  1.0 3.0
   46    60    64    65   0.15000  1.0 3.0
   46    60    64    66   0.15000  1.0 3.0
   46    60    64    67   0.15000  1.0 3.0
   64    60    46    33   0.56750  1.0 1.0
   64    60    46    33  -0.07550 -1.0 2.0
   64    60    46    33   0.20000  1.0 3.0
   64    60    46    42   0.56750  1.0 1.0
   64    60    46    42  -0.07550 -1.0 2.0
   64    60    46    42   0.20000  1.0 3.0
   64    60    46    47   0.15000  1.0 3.0
   59    54    56    57   0.23400  1.0 3.0
   59    54    56    58   0.23400  1.0 3.0
   59    54    56    60   0.62750  1.0 1.0
   59    54    56    60  -0.30950 -1.0 2.0
   59    54    56    60   0.27300  1.0 3.0
   59    62   -68    52   0.36750  1.0 3.0
   59    62    68    69   0.36750  1.0 3.0
   59    62    68    72   0.30750  1.0 1.0
   59    62    68    72   1.13850 -1.0 2.0
   59    62    68    72   0.38850  1.0 3.0
   62    68    69    70  -0.11250  1.0 3.0
   62    68    69    71  -0.11250  1.0 3.0
   62    68    69    74  -0.09450  1.0 1.0
   62    68    69    74  -1.12950 -1.0 2.0
   62    68    69    74   0.54000  1.0 3.0
   62    68    72    73   0.91850  1.0 1.0
   62    68    72    73   0.57950  1.0 3.0
   63    62    68    52   0.30150 -1.0 2.0
   63    62    68    69   0.30150 -1.0 2.0
   63    62    68    72   0.30150 -1.0 2.0
   68    52    54    55   0.15000  1.0 3.0
   68    52    54    56   0.56750  1.0 1.0
   68    52    54    56  -0.07550 -1.0 2.0
   68    52    54    56   0.20000  1.0 3.0
   68    52   -54    59   0.62750  1.0 1.0
   68    52   -54    59  -0.30950 -1.0 2.0
   68    52   -54    59   0.27300  1.0 3.0
   68    69    74    75  -0.11600  1.0 1.0
   68    69    74    75  -0.09450 -1.0 2.0
   68    69    74    75   0.21250  1.0 3.0
   69    68    72    73  -0.11600  1.0 1.0
   69    68    72    73  -0.09450 -1.0 2.0
   69    68    72    73   0.21250  1.0 3.0
   70    69    74    75   0.19450  1.0 3.0
   71    69    74    75   0.19450  1.0 3.0
   72    68    69    70   0.23400  1.0 3.0
   72    68    69    71   0.23400  1.0 3.0
   72    68    69    74   3.75450  1.0 1.0
   48    42    43    44   0.15000  1.0 3.0
   48    42    43    45   0.15000  1.0 3.0
   48    42    43    52   0.56750  1.0 1.0
   48    42    43    52  -0.07550 -1.0 2.0
   48    42    43    52   0.20000  1.0 3.0
   48    42    46    33   0.56750  1.0 1.0
   48    42    46    33  -0.07550 -1.0 2.0
   48    42    46    33   0.20000  1.0 3.0
   48    42    46    60   0.56750  1.0 1.0
   48    42    46    60  -0.07550 -1.0 2.0
   48    42    46    60   0.20000  1.0 3.0
   48    42    46    47   0.15000  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   59    68    62    63  10.50000 -1.0 2.0
END
