* LIGAND DATABASE FILE (OPLS2005)
*
001      75    78    147    242     434
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055    37.42031  -156.71413
    3     1 S   H    _H1_     3     1.02125   100.07540   -49.14179
    4     1 S   H    _H2_     4     1.02077    77.86034    58.04861
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08611   110.49349    58.84143
   26    24 S   HC   HB22    34     1.08640   109.89279   178.97703
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.80531    98.66080  -178.18275
   34    33 S   HC   _H8_    37     1.09711   105.14397   -38.55642
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   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   CT   _C14    38     1.54383   112.30032    80.02235
   39    38 S   HC   _H7_    39     1.09606   113.33895    -1.17353
   40    38 S   CT   _C11    40     1.55712   107.42421   122.51904
   41    38 S   OH   _O36    74     1.42983   107.04577  -118.12526
   42    41 S   HO   _H16    75     0.96806   106.26013    59.99274
   43    40 S   CT   _C12    41     1.55958   112.08104  -102.23041
   44    43 S   HC   _H6_    42     1.09634   112.00737   -60.88468
   45    40 S   CT   _C10    60     1.58285   105.44939    21.73693
   46    40 S   OH   _O37    72     1.43097   108.58979   141.80231
   47    46 S   HO   _H17    73     0.96729   106.19673    60.21035
   48    43 S   CO4  _C13    43     1.51086   112.43493    64.66626
   49    48 S   O    _O33    44     1.21881   126.68871   -95.51677
   50    33 S   C3T  _C16    61     1.50462   116.86095  -157.73284
   51    45 S   CT   _C18    66     1.55403   111.72546    85.57367
   52    51 S   HC   _H18    67     1.07971   108.51040   -57.92085
   53    51 S   HC   _H19    68     1.07978   108.45725  -177.87459
   54    51 S   HC   _H20    69     1.08023   108.55053    62.11246
   55    48 S   OS   _O34    45     1.37500   108.23286    84.81748
   56    50 S   C3T  _C17    62     1.52076   118.84540    69.91034
   57    56 S   HC   _H14    63     1.08293   118.79586    -0.97518
   58    56 S   HC   _H15    64     1.07998   119.99583   147.12011
   59    55 S   CT   _C8_    46     1.44025   108.09930     5.49294
   60    59 S   HC   _H4_    47     1.09593   108.17917   145.20992
   61    50 S   O3T  _O35    65     1.43024   118.21161     3.01272
   62    43 S   CT   _C7_    48     1.53315   113.79043   173.86212
   63    62 S   HC   _H3_    49     1.10063   108.33093   176.99547
   64    59 S   CT   _C9_    58     1.53850   110.54042   -92.53597
   65    64 S   HC   _H5_    59     1.09822   106.17146   174.43810
   66    62 S   CM   _C5_    50     1.48955   118.45186    55.79320
   67    64 S   OH   _O38    70     1.42414   108.62935   -73.36978
   68    67 S   HO   _H21    71     0.96970   106.60186   -59.97431
   69    66 S   CM   _C6_    51     1.34087   121.95186    32.21275
   70    69 S   HC   _H12    52     1.08534   121.35323  -179.97202
   71    69 S   HC   _H13    53     1.08503   121.36571     0.02798
   72    66 S   CT   _C4_    54     1.50054   116.12761  -147.82817
   73    72 S   HC   _H9_    55     1.09497   110.27226   -90.00241
   74    72 S   HC   _H10    56     1.09463   110.27196    29.86916
   75    72 S   HC   _H11    57     1.09555   112.14394   149.96411
  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  10   5   4   3
  16   8   2   1   1  16   7  24   5   1  17   9  20   6   1   8
   3  12   9   3   2   1   8   4   2   1  10   6   1  12   4   4
   2   7   1   1   6   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    50    56    61    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    64    45    50    56    57    58    61    51    46    41    42  
   38    39    40    45    50    56    61    41  
   36    37  
   37  
    0  
   39    40    43    44    48    62    64    45    50    56    61    51    46    47    41    42  
   40    43    45    50    46    41    42  
   43    44    48    49    55    59    62    63    66    64    65    45    50    56    61    51    52    53    54    67    46    47    41    42  
   42    43    45    46    50  
    0  
   44    48    49    55    59    60    62    63    66    69    72    64    45    50    51    46    47  
   48    49    55    59    62    63    66    45    46  
   50    56    57    58    61    51    52    53    54    67    68    46    47    48    55    59    60    62    64    65  
   47    48    50    51    62    64  
    0  
   49    55    59    60    62    63    66    64  
   55    59    62  
   56    57    58    61    51    52    53    54    67    59    64    65  
   52    53    54    67    56    59    61    64    65  
   53    54    64  
   54    64  
   64  
   59    60    62    63    66    64    65    67  
   57    58    61    64  
   58    61  
   61  
   60    62    63    66    69    72    64    65    67    68  
   62    63    66    64    65    67  
   64  
   63    66    69    70    71    72    73    74    75    64    65    67  
   66    69    72    64  
   65    67    68    66  
   67    68  
   69    70    71    72    73    74    75  
   68  
    0  
   70    71    72    73    74    75  
   71    72  
   72  
   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   0.107500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   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   0.056200   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.060000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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    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   268.000  1.529
   33    50   275.000  1.510
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    41   320.000  1.410
   40    43   268.000  1.529
   40    45   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    48   317.000  1.522
   43    62   268.000  1.529
   48    49   570.000  1.229
   48    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    64   268.000  1.529
   62    63   340.000  1.090
   62    66   317.000  1.510
   66    69   549.000  1.340
   66    72   317.000  1.510
   69    70   340.000  1.080
   69    71   340.000  1.080
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   64    65   340.000  1.090
   64    45   268.000  1.529
   64    67   320.000  1.410
   45    50   275.000  1.510
   45    51   268.000  1.529
   50    56   260.000  1.509
   50    61   335.000  1.432
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    61   335.000  1.432
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   67    68   553.000  0.945
   46    47   553.000  0.945
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    41    50.00000  109.50000
   33    50    45    58.35000  112.70000
   33    50    56    60.00000  120.94000
   33    50    61    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    41    42    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    63.00000  111.10000
   40    43    62    58.35000  112.70000
   40    45    64    58.35000  112.70000
   40    45    50    70.00000  112.37300
   40    45    51    58.35000  112.70000
   40    46    47    55.00000  108.50000
   43    48    49    80.00000  120.40000
   43    48    55    81.00000  111.40000
   43    62    59    58.35000  112.70000
   43    62    63    37.50000  110.70000
   43    62    66    70.00000  112.02700
   48    43    44    35.00000  109.50000
   48    55    59    83.00000  116.90000
   55    48    49    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    62    50.00000  109.50000
   55    59    64    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    66    70.00000  112.02700
   59    64    65    37.50000  110.70000
   59    64    45    58.35000  112.70000
   59    64    67    50.00000  109.50000
   62    43    44    37.50000  110.70000
   62    43    48    63.00000  111.10000
   62    59    60    37.50000  110.70000
   62    66    69    70.00000  124.00000
   62    66    72    65.00000  117.92700
   66    62    63    35.00000  109.50000
   66    69    70    35.00000  120.00000
   66    69    71    35.00000  120.00000
   66    72    73    35.00000  109.50000
   66    72    74    35.00000  109.50000
   66    72    75    35.00000  109.50000
   71    69    70    35.00000  117.00000
   72    66    69    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   64    59    60    37.50000  110.70000
   64    59    62    58.35000  112.70000
   64    45    50    70.00000  112.37300
   64    45    51    58.35000  112.70000
   64    67    68    55.00000  108.50000
   45    40    43    58.35000  112.70000
   45    64    65    37.50000  110.70000
   45    50    56    60.00000  120.94000
   45    50    61    80.00000  116.47100
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   50    33    34    45.00000  109.38400
   50    33    38    70.00000  112.37300
   50    56    57    37.50000  117.20000
   50    56    58    37.50000  117.20000
   50    56    61    15.00000   60.43100
   50    61    56    15.00000   59.14900
   58    56    57    35.00000  114.30000
   61    50    56    15.00000   60.43100
   61    56    57    50.00000  114.27700
   61    56    58    50.00000  114.27700
   51    45    50    70.00000  112.37300
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    45    50.00000  109.50000
   46    40    43    50.00000  109.50000
   46    40    45    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    45   0.44750  1.0 1.0
   29    33    50    45  -0.17800 -1.0 2.0
   29    33    50    45   0.20200  1.0 3.0
   29    33    50    56   0.44750  1.0 1.0
   29    33    50    56  -0.17800 -1.0 2.0
   29    33    50    56   0.20200  1.0 3.0
   29    33    50    61   0.56750  1.0 1.0
   29    33    50    61  -0.07550 -1.0 2.0
   29    33    50    61   0.20000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38   -40    45   0.56750  1.0 1.0
   33    38   -40    45  -0.07550 -1.0 2.0
   33    38   -40    45   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    50    56    57   0.15000  1.0 3.0
   33    50    56    58   0.15000  1.0 3.0
   33    50   -56    61   0.02550  1.0 1.0
   33    50   -56    61  -0.02600 -1.0 2.0
   33    50   -56    61   1.20400  1.0 3.0
   33    50   -61    56   0.06250  1.0 1.0
   33    50   -61    56  -0.01100 -1.0 2.0
   33    50   -61    56   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    50    45   0.15000  1.0 3.0
   34    33    50    56   0.15000  1.0 3.0
   34    33    50    61   0.23400  1.0 3.0
   38    33   -50    45   0.56750  1.0 1.0
   38    33   -50    45  -0.07550 -1.0 2.0
   38    33   -50    45   0.20000  1.0 3.0
   38    33    50    56   0.07850  1.0 1.0
   38    33    50    56  -0.03950 -1.0 2.0
   38    33    50    56   0.67350  1.0 3.0
   38    33    50    61   0.02550  1.0 1.0
   38    33    50    61  -0.02600 -1.0 2.0
   38    33    50    61   1.20400  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    48  -0.95700  1.0 1.0
   38    40    43    48  -0.18200 -1.0 2.0
   38    40    43    48   0.29450  1.0 3.0
   38    40    43    62   0.56750  1.0 1.0
   38    40    43    62  -0.07550 -1.0 2.0
   38    40    43    62   0.20000  1.0 3.0
   38    40    45    64   0.56750  1.0 1.0
   38    40    45    64  -0.07550 -1.0 2.0
   38    40    45    64   0.20000  1.0 3.0
   38    40   -45    50   0.47050  1.0 1.0
   38    40   -45    50   0.03900 -1.0 2.0
   38    40   -45    50   0.20100  1.0 3.0
   38    40    45    51   0.56750  1.0 1.0
   38    40    45    51  -0.07550 -1.0 2.0
   38    40    45    51   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    43    48    49   0.30150 -1.0 2.0
   40    43    48    55   0.36750  1.0 3.0
   40    43    62    59   0.56750  1.0 1.0
   40    43    62    59  -0.07550 -1.0 2.0
   40    43    62    59   0.20000  1.0 3.0
   40    43    62    63   0.15000  1.0 3.0
   40    43    62    66   0.34400  1.0 1.0
   40    43    62    66   0.09450 -1.0 2.0
   40    43    62    66   0.11100  1.0 3.0
   40    45   -50    33   0.56750  1.0 1.0
   40    45   -50    33  -0.07550 -1.0 2.0
   40    45   -50    33   0.20000  1.0 3.0
   40    45    50    56   0.07850  1.0 1.0
   40    45    50    56  -0.03950 -1.0 2.0
   40    45    50    56   0.67350  1.0 3.0
   40    45    50    61   0.02550  1.0 1.0
   40    45    50    61  -0.02600 -1.0 2.0
   40    45    50    61   1.20400  1.0 3.0
   40    45    51    52   0.15000  1.0 3.0
   40    45    51    53   0.15000  1.0 3.0
   40    45    51    54   0.15000  1.0 3.0
   43    40    45    64   0.56750  1.0 1.0
   43    40    45    64  -0.07550 -1.0 2.0
   43    40    45    64   0.20000  1.0 3.0
   43    40    45    50   0.47050  1.0 1.0
   43    40    45    50   0.03900 -1.0 2.0
   43    40    45    50   0.20100  1.0 3.0
   43    40    45    51   0.56750  1.0 1.0
   43    40    45    51  -0.07550 -1.0 2.0
   43    40    45    51   0.20000  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   43    48   -55    59   1.63150  1.0 1.0
   43    48   -55    59   2.92000 -1.0 2.0
   43    62    66    69   0.09850  1.0 1.0
   43    62    66    69   0.15250 -1.0 2.0
   43    62    66    69  -0.50650  1.0 3.0
   43    62    66    72   0.46850  1.0 1.0
   43    62    66    72   0.08550 -1.0 2.0
   43    62    66    72   0.09800  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    55   0.00000  1.0 1.0
   44    43    62    59   0.15000  1.0 3.0
   44    43    62    63   0.15000  1.0 3.0
   44    43    62    66   0.15000  1.0 3.0
   48    43   -62    59  -0.95700  1.0 1.0
   48    43   -62    59  -0.18200 -1.0 2.0
   48    43   -62    59   0.29450  1.0 3.0
   48    43    62    63  -0.11250  1.0 3.0
   48    43    62    66  -0.98800  1.0 1.0
   48    43    62    66   0.48800 -1.0 2.0
   48    43    62    66   0.76800  1.0 3.0
   48    55    59    60   0.08050  1.0 3.0
   48    55   -59    62  -0.25900  1.0 1.0
   48    55   -59    62  -0.47000 -1.0 2.0
   48    55   -59    62   0.11750  1.0 3.0
   48    55    59    64  -0.25900  1.0 1.0
   48    55    59    64  -0.47000 -1.0 2.0
   48    55    59    64   0.11750  1.0 3.0
   49    48    55    59   3.00000 -1.0 2.0
   55    59   -62    43   0.62750  1.0 1.0
   55    59   -62    43  -0.30950 -1.0 2.0
   55    59   -62    43   0.27300  1.0 3.0
   55    59    62    63   0.23400  1.0 3.0
   55    59    62    66   0.61850  1.0 1.0
   55    59    62    66  -0.22750 -1.0 2.0
   55    59    62    66   0.15300  1.0 3.0
   55    59    64    65   0.23400  1.0 3.0
   55    59    64    45   0.62750  1.0 1.0
   55    59    64    45  -0.30950 -1.0 2.0
   55    59    64    45   0.27300  1.0 3.0
   55    59    64    67   3.69350  1.0 1.0
   55    59    64    67  -1.82950 -1.0 2.0
   59    62    66    69   0.09850  1.0 1.0
   59    62    66    69   0.15250 -1.0 2.0
   59    62    66    69  -0.50650  1.0 3.0
   59    62    66    72   0.46850  1.0 1.0
   59    62    66    72   0.08550 -1.0 2.0
   59    62    66    72   0.09800  1.0 3.0
   59    64   -45    40   0.56750  1.0 1.0
   59    64   -45    40  -0.07550 -1.0 2.0
   59    64   -45    40   0.20000  1.0 3.0
   59    64    45    50   0.47050  1.0 1.0
   59    64    45    50   0.03900 -1.0 2.0
   59    64    45    50   0.20100  1.0 3.0
   59    64    45    51   0.56750  1.0 1.0
   59    64    45    51  -0.07550 -1.0 2.0
   59    64    45    51   0.20000  1.0 3.0
   59    64    67    68  -0.11600  1.0 1.0
   59    64    67    68  -0.09450 -1.0 2.0
   59    64    67    68   0.21250  1.0 3.0
   60    59    62    43   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   60    59    64    65   0.15000  1.0 3.0
   60    59    64    45   0.15000  1.0 3.0
   60    59    64    67   0.23400  1.0 3.0
   62    43    48    49   0.30150 -1.0 2.0
   62    43   -48    55   0.36750  1.0 3.0
   62    59    64    65   0.15000  1.0 3.0
   62    59    64    45   0.56750  1.0 1.0
   62    59    64    45  -0.07550 -1.0 2.0
   62    59    64    45   0.20000  1.0 3.0
   62    59    64    67   0.86500  1.0 1.0
   62    59    64    67  -0.17500 -1.0 2.0
   62    59    64    67   0.20800  1.0 3.0
   62    66    69    70   7.00000 -1.0 2.0
   62    66    69    71   7.00000 -1.0 2.0
   62    66    72    73   0.34800  1.0 3.0
   62    66    72    74   0.34800  1.0 3.0
   62    66    72    75   0.34800  1.0 3.0
   63    62    66    69   0.00000  1.0 1.0
   63    62    66    72   0.34800  1.0 3.0
   69    66    72    73   0.00000  1.0 1.0
   69    66    72    74   0.00000  1.0 1.0
   69    66    72    75   0.00000  1.0 1.0
   72    66    69    70   7.00000 -1.0 2.0
   72    66    69    71   7.00000 -1.0 2.0
   64    59   -62    43   0.56750  1.0 1.0
   64    59   -62    43  -0.07550 -1.0 2.0
   64    59   -62    43   0.20000  1.0 3.0
   64    59    62    63   0.15000  1.0 3.0
   64    59    62    66   0.34400  1.0 1.0
   64    59    62    66   0.09450 -1.0 2.0
   64    59    62    66   0.11100  1.0 3.0
   64    45    50    33   0.56750  1.0 1.0
   64    45    50    33  -0.07550 -1.0 2.0
   64    45    50    33   0.20000  1.0 3.0
   64    45    50    56   0.07850  1.0 1.0
   64    45    50    56  -0.03950 -1.0 2.0
   64    45    50    56   0.67350  1.0 3.0
   64    45    50    61   0.02550  1.0 1.0
   64    45    50    61  -0.02600 -1.0 2.0
   64    45    50    61   1.20400  1.0 3.0
   64    45    51    52   0.15000  1.0 3.0
   64    45    51    53   0.15000  1.0 3.0
   64    45    51    54   0.15000  1.0 3.0
   65    64    45    40   0.15000  1.0 3.0
   65    64    45    50   0.15000  1.0 3.0
   65    64    45    51   0.15000  1.0 3.0
   65    64    67    68   0.19450  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    48  -0.95700  1.0 1.0
   45    40    43    48  -0.18200 -1.0 2.0
   45    40    43    48   0.29450  1.0 3.0
   45    40   -43    62   0.56750  1.0 1.0
   45    40   -43    62  -0.07550 -1.0 2.0
   45    40   -43    62   0.20000  1.0 3.0
   45    40    46    47  -0.11600  1.0 1.0
   45    40    46    47  -0.09450 -1.0 2.0
   45    40    46    47   0.21250  1.0 3.0
   45    64    67    68  -0.11600  1.0 1.0
   45    64    67    68  -0.09450 -1.0 2.0
   45    64    67    68   0.21250  1.0 3.0
   45    50    56    57   0.15000  1.0 3.0
   45    50    56    58   0.15000  1.0 3.0
   45    50   -56    61   0.02550  1.0 1.0
   45    50   -56    61  -0.02600 -1.0 2.0
   45    50   -56    61   1.20400  1.0 3.0
   45    50   -61    56   0.06250  1.0 1.0
   45    50   -61    56  -0.01100 -1.0 2.0
   45    50   -61    56   0.28050  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.47050  1.0 1.0
   50    33   -38    40   0.03900 -1.0 2.0
   50    33   -38    40   0.20100  1.0 3.0
   50    33    38    41   0.86500  1.0 1.0
   50    33    38    41  -0.17500 -1.0 2.0
   50    33    38    41   0.20800  1.0 3.0
   50    45    51    52   0.15000  1.0 3.0
   50    45    51    53   0.15000  1.0 3.0
   50    45    51    54   0.15000  1.0 3.0
   57    56   -61    50   0.36800  1.0 3.0
   58    56   -61    50   0.36800  1.0 3.0
   61    50   -56    57   0.23400  1.0 3.0
   61    50   -56    58   0.23400  1.0 3.0
   51    45    50    33   0.56750  1.0 1.0
   51    45    50    33  -0.07550 -1.0 2.0
   51    45    50    33   0.20000  1.0 3.0
   51    45    50    56   0.07850  1.0 1.0
   51    45    50    56  -0.03950 -1.0 2.0
   51    45    50    56   0.67350  1.0 3.0
   51    45    50    61   0.02550  1.0 1.0
   51    45    50    61  -0.02600 -1.0 2.0
   51    45    50    61   1.20400  1.0 3.0
   67    64    45    40   0.86500  1.0 1.0
   67    64    45    40  -0.17500 -1.0 2.0
   67    64    45    40   0.20800  1.0 3.0
   67    64    45    50   0.86500  1.0 1.0
   67    64    45    50  -0.17500 -1.0 2.0
   67    64    45    50   0.20800  1.0 3.0
   67    64    45    51   0.86500  1.0 1.0
   67    64    45    51  -0.17500 -1.0 2.0
   67    64    45    51   0.20800  1.0 3.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    48  -0.09450  1.0 1.0
   46    40    43    48  -1.12950 -1.0 2.0
   46    40    43    48   0.54000  1.0 3.0
   46    40    43    62   0.86500  1.0 1.0
   46    40    43    62  -0.17500 -1.0 2.0
   46    40    43    62   0.20800  1.0 3.0
   46    40    45    64   0.86500  1.0 1.0
   46    40    45    64  -0.17500 -1.0 2.0
   46    40    45    64   0.20800  1.0 3.0
   46    40    45    50   0.86500  1.0 1.0
   46    40    45    50  -0.17500 -1.0 2.0
   46    40    45    50   0.20800  1.0 3.0
   46    40    45    51   0.86500  1.0 1.0
   46    40    45    51  -0.17500 -1.0 2.0
   46    40    45    51   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    45   0.86500  1.0 1.0
   41    38    40    45  -0.17500 -1.0 2.0
   41    38    40    45   0.20800  1.0 3.0
   41    38    40    46   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   43    55    48    49  10.50000 -1.0 2.0
   62    72    66    69  15.00000 -1.0 2.0
   70    71    69    66  15.00000 -1.0 2.0
END
