* LIGAND DATABASE FILE (OPLS2005)
*
001      74    75    138    208     405
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02026   105.42238     0.76208
    3     1 S   H    _H1_     3     1.02141    47.27218   102.16139
    4     1 S   H    _H2_     4     1.02067    65.33152  -103.07879
    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     1.08575   109.90351   179.01802
   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   _C18    36     1.80833    98.58774   161.81769
   34    33 S   HC   _H22    37     1.09282   109.25034   -59.21748
   35    33 S   HC   _H23    38     1.09329   109.34086    58.96208
   36    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   37    36 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   38    36 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   39    33 S   CM   _C16    39     1.48950   110.03359  -179.97202
   40    39 S   CM   _C17    40     1.33555   129.38155  -119.63484
   41    40 S   OS   _O34    41     1.38794   115.16041   177.13379
   42    40 S   OH   _O35    73     1.37078   125.94472    -1.56298
   43    42 S   HO   _H21    74     0.96622   110.48362  -179.95577
   44    41 S   CT   _C7_    42     1.44816   105.29314     7.88832
   45    44 S   HC   _H4_    43     1.08993   107.03602  -130.01242
   46    44 S   CT   _C6_    44     1.53244   107.50287   112.81710
   47    46 S   HC   _H9_    45     1.09660   106.73874    40.18786
   48    46 S   HC   _H10    46     1.09467   110.56114   -72.90843
   49    39 S   CT   _C8_    55     1.49622   121.70799    56.91101
   50    49 S   HC   _H5_    56     1.11395   109.06304   -70.93709
   51    46 S   CT   _C5_    47     1.54414   114.53302   160.99952
   52    51 S   HC   _H3_    48     1.11606   106.68164   -70.95417
   53    51 S   CM   _C11    49     1.52376   118.11877    48.32477
   54    51 S   CT   _C4_    69     1.53554   108.21545   175.07407
   55    54 S   HC   _H6_    70     1.08473   109.11693   -65.68204
   56    54 S   HC   _H7_    71     1.08404   109.15343   174.32176
   57    54 S   HC   _H8_    72     1.08451   109.18525    54.30009
   58    53 S   CM   _C10    50     1.34554   126.16663    10.86836
   59    58 S   HC   _H13    51     1.08026   118.59109  -176.24245
   60    53 S   CT   _C12    57     1.51116   115.13726  -167.10001
   61    60 S   HC   _H14    58     1.09023   105.96952  -151.83417
   62    60 S   HC   _H15    59     1.08845   108.05660   -34.71329
   63    58 S   CT   _C9_    52     1.49540   127.16788     0.35054
   64    63 S   HC   _H11    53     1.09677   110.37713    64.00181
   65    63 S   HC   _H12    54     1.09908   106.65214   177.97107
   66    60 S   CT   _C13    60     1.51598   109.65617    89.16497
   67    66 S   HC   _H16    61     1.09595   107.91590    59.97185
   68    66 S   HC   _H17    62     1.09613   111.70194   -59.21831
   69    66 S   CO4  _C14    63     1.52066   113.54469   178.10824
   70    69 S   O    _O33    64     1.22986   123.03434     1.77872
   71    69 S   CT   _C15    65     1.50731   116.04777  -178.80646
   72    71 S   HC   _H18    66     1.09297   109.57616    90.02613
   73    71 S   HC   _H19    67     1.09353   109.68311  -150.56010
   74    71 S   HC   _H20    68     1.09221   109.55778   -31.08422
  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   6   5   4   3
  10   4   3   2   1   1  13   9  11   3   1  14   7  14   6   5
   8   4  13   7  16   5   2   1   1   8   4   9   5   4   2   1
   1   8   4   3   5   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    63    49    50    42  
   35    39    40    49  
   39    40    49  
   37    38  
   38  
    0  
   40    41    44    45    46    58    63    64    65    49    50    42    43  
   41    44    45    46    63    49    50    42    43  
   44    45    46    47    48    51    63    49    50    42    43  
   43    44    49  
    0  
   45    46    47    48    51    52    53    58    63    64    65    49    50    54  
   46    47    48    51    63    49    50  
   47    48    51    52    53    58    63    49    50    60    54    55    56    57  
   48    51    52    53    49    54  
   51    52    53    49    54  
   50    51    53    58    59    63    64    65  
   58    63    64    65  
   52    53    58    59    63    60    61    62    66    54    55    56    57  
   53    58    60    54    55    56    57  
   58    59    63    64    65    60    61    62    66    67    68    69    54    55    56    57  
   55    56    57    58    60  
   56    57  
   57  
    0  
   59    63    64    65    60    61    62    66  
   63    64    65    60  
   61    62    66    67    68    69    70    71    63  
   62    66    67    68    69  
   66    67    68    69  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74  
   68    69    70    71  
   69    70    71  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.133800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0150   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   549.000  1.340
   39    49   317.000  1.510
   40    41   440.000  1.360
   40    42   510.000  1.338
   41    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   317.000  1.510
   51    54   268.000  1.529
   53    58   549.000  1.340
   53    60   317.000  1.510
   58    59   340.000  1.080
   58    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    49   268.000  1.529
   49    50   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   317.000  1.522
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    49    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  120.01400
   39    40    42    80.00000  121.38400
   39    49    44    70.00000  112.02700
   39    49    63    70.00000  112.02700
   39    49    50    35.00000  109.50000
   40    41    44    90.00000  111.18400
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    46    50.00000  109.50000
   41    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    63    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    70.00000  112.02700
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    58    70.00000  124.00000
   51    53    60    65.00000  117.92700
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   53    51    52    35.00000  109.50000
   53    58    59    35.00000  120.00000
   53    58    63    70.00000  124.00000
   53    60    61    35.00000  109.50000
   53    60    62    35.00000  109.50000
   53    60    66    70.00000  112.02700
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    49    70.00000  112.02700
   63    58    59    35.00000  117.00000
   63    49    50    37.50000  110.70000
   65    63    64    33.00000  107.80000
   49    39    40    70.00000  124.00000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    63    64    37.50000  110.70000
   49    63    65    37.50000  110.70000
   60    53    58    70.00000  124.00000
   60    66    67    37.50000  110.70000
   60    66    68    37.50000  110.70000
   60    66    69    63.00000  111.10000
   62    60    61    33.00000  107.80000
   66    60    61    37.50000  110.70000
   66    60    62    37.50000  110.70000
   66    69    70    80.00000  120.40000
   66    69    71    70.00000  116.00000
   68    66    67    33.00000  107.80000
   69    66    67    35.00000  109.50000
   69    66    68    35.00000  109.50000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   71    69    70    80.00000  120.40000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    70.00000  112.02700
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    40    41   115.00000  116.36000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    49   0.30250  1.0 1.0
   29    33    39    49  -0.14950 -1.0 2.0
   29    33    39    49   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    49    44   0.46850  1.0 1.0
   33    39    49    44   0.08550 -1.0 2.0
   33    39    49    44   0.09800  1.0 3.0
   33    39    49    63   0.46850  1.0 1.0
   33    39    49    63   0.08550 -1.0 2.0
   33    39    49    63   0.09800  1.0 3.0
   33    39    49    50   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    49   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    49   0.34800  1.0 3.0
   39    40   -41    44  -2.26850  1.0 1.0
   39    40   -41    44   3.39050 -1.0 2.0
   39    40    42    43  -0.66100  1.0 1.0
   39    40    42    43   1.20850 -1.0 2.0
   39    40    42    43  -0.36000  1.0 3.0
   40    39   -49    44   0.09850  1.0 1.0
   40    39   -49    44   0.15250 -1.0 2.0
   40    39   -49    44  -0.50650  1.0 3.0
   40    39    49    63   0.09850  1.0 1.0
   40    39    49    63   0.15250 -1.0 2.0
   40    39    49    63  -0.50650  1.0 3.0
   40    39    49    50   0.00000  1.0 1.0
   40    41    44    45   0.08050  1.0 3.0
   40    41    44    46  -0.46850  1.0 1.0
   40    41    44    46   0.09300 -1.0 2.0
   40    41    44    46  -0.12850  1.0 3.0
   40    41   -44    49  -0.46850  1.0 1.0
   40    41   -44    49   0.09300 -1.0 2.0
   40    41   -44    49  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   41    44    46    47   0.23400  1.0 3.0
   41    44    46    48   0.23400  1.0 3.0
   41    44    46    51   0.62750  1.0 1.0
   41    44    46    51  -0.30950 -1.0 2.0
   41    44    46    51   0.27300  1.0 3.0
   41    44   -49    39   0.61850  1.0 1.0
   41    44   -49    39  -0.22750 -1.0 2.0
   41    44   -49    39   0.15300  1.0 3.0
   41    44    49    63   0.62750  1.0 1.0
   41    44    49    63  -0.30950 -1.0 2.0
   41    44    49    63   0.27300  1.0 3.0
   41    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.34400  1.0 1.0
   44    46    51    53   0.09450 -1.0 2.0
   44    46    51    53   0.11100  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    63   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.34400  1.0 1.0
   46    44    49    39   0.09450 -1.0 2.0
   46    44    49    39   0.11100  1.0 3.0
   46    44    49    63   0.56750  1.0 1.0
   46    44    49    63  -0.07550 -1.0 2.0
   46    44    49    63   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    58   0.09850  1.0 1.0
   46    51    53    58   0.15250 -1.0 2.0
   46    51    53    58  -0.50650  1.0 3.0
   46    51    53    60   0.46850  1.0 1.0
   46    51    53    60   0.08550 -1.0 2.0
   46    51    53    60   0.09800  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    53    58    59   7.00000 -1.0 2.0
   51    53    58    63   7.00000 -1.0 2.0
   51    53    60    61   0.34800  1.0 3.0
   51    53    60    62   0.34800  1.0 3.0
   51    53    60    66   0.46850  1.0 1.0
   51    53    60    66   0.08550 -1.0 2.0
   51    53    60    66   0.09800  1.0 3.0
   52    51    53    58   0.00000  1.0 1.0
   52    51    53    60   0.34800  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    57   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    57   0.15000  1.0 3.0
   53    58    63    64   0.00000  1.0 1.0
   53    58    63    65   0.00000  1.0 1.0
   53    58    63    49   0.09850  1.0 1.0
   53    58    63    49   0.15250 -1.0 2.0
   53    58    63    49  -0.50650  1.0 3.0
   53    60    66    67   0.15000  1.0 3.0
   53    60    66    68   0.15000  1.0 3.0
   53    60    66    69  -0.98800  1.0 1.0
   53    60    66    69   0.48800 -1.0 2.0
   53    60    66    69   0.76800  1.0 3.0
   58    53    60    61   0.00000  1.0 1.0
   58    53    60    62   0.00000  1.0 1.0
   58    53    60    66   0.09850  1.0 1.0
   58    53    60    66   0.15250 -1.0 2.0
   58    53    60    66  -0.50650  1.0 3.0
   58    63    49    39   0.31000  1.0 1.0
   58    63    49    39   0.14700 -1.0 2.0
   58    63    49    39   0.07550  1.0 3.0
   58    63    49    44   0.34400  1.0 1.0
   58    63    49    44   0.09450 -1.0 2.0
   58    63    49    44   0.11100  1.0 3.0
   58    63    49    50   0.15000  1.0 3.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.33100  1.0 3.0
   59    58    63    49   0.00000  1.0 1.0
   64    63    49    39   0.15000  1.0 3.0
   64    63    49    44   0.15000  1.0 3.0
   64    63    49    50   0.15000  1.0 3.0
   65    63    49    39   0.15000  1.0 3.0
   65    63    49    44   0.15000  1.0 3.0
   65    63    49    50   0.15000  1.0 3.0
   49    39   -40    41   7.00000 -1.0 2.0
   49    39    40    42   7.00000 -1.0 2.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   60    53    58    59   7.00000 -1.0 2.0
   60    53    58    63   7.00000 -1.0 2.0
   60    66    69    70   0.30150 -1.0 2.0
   60    66    69    71   0.60050  1.0 1.0
   60    66    69    71   0.05600 -1.0 2.0
   60    66    69    71   0.26150  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    68   0.15000  1.0 3.0
   61    60    66    69  -0.11250  1.0 3.0
   62    60    66    67   0.15000  1.0 3.0
   62    60    66    68   0.15000  1.0 3.0
   62    60    66    69  -0.11250  1.0 3.0
   66    69    71    72   0.00000  1.0 1.0
   66    69    71    73   0.00000  1.0 1.0
   66    69    71    74   0.00000  1.0 1.0
   67    66    69    70   0.00000  1.0 1.0
   67    66    69    71   0.00000  1.0 1.0
   68    66    69    70   0.00000  1.0 1.0
   68    66    69    71   0.00000  1.0 1.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.00000  1.0 1.0
   54    51    53    58   0.09850  1.0 1.0
   54    51    53    58   0.15250 -1.0 2.0
   54    51    53    58  -0.50650  1.0 3.0
   54    51    53    60   0.46850  1.0 1.0
   54    51    53    60   0.08550 -1.0 2.0
   54    51    53    60   0.09800  1.0 3.0
   42    40    41    44   2.00000 -1.0 2.0
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
   37    30    36    38  10.50000 -1.0 2.0
   33    49    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   51    60    53    58   1.10000 -1.0 2.0
   63    59    58    53   1.10000 -1.0 2.0
   66    71    69    70  10.50000 -1.0 2.0
END
