* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    132    201     380
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02055    52.44122  -121.59798
    3     1 S   H    _H1_     3     1.02110   106.49222   -20.47351
    4     1 S   H    _H2_     4     1.02102    59.70130    81.95032
    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     1.08519   110.61667    58.74867
   26    24 S   HC   HB22    34     1.08547   109.95733   179.14202
   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   _C17    36     1.84168    97.26400   161.82755
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C16    37     1.51420   108.75363  -160.02263
   38    37 S   HC   _H9_    38     1.08719   118.46201    28.33835
   39    33 S   OS   _O35    70     1.43332   108.82142   -45.62179
   40    37 S   CM   _C15    39     1.34190   121.38213  -151.02376
   41    39 S   CT   _C18    71     1.41893   111.30431   -76.50951
   42    41 S   HC   _H10    72     1.09345   109.54670  -180.00000
   43    41 S   HC   _H11    73     1.09290   109.57098    59.21461
   44    41 S   HC   _H12    74     1.09231   108.99133   -60.40604
   45    40 S   CM   _C14    40     1.44672   121.37806    -0.58484
   46    45 S   HC   _H8_    41     1.08632   117.47596  -163.97696
   47    40 S   OH   _O36    68     1.37860   121.25469  -177.72282
   48    47 S   HO   _H13    69     0.96441   110.09765    -2.77530
   49    45 S   CM   _C13    42     1.34435   120.60810    15.44587
   50    33 S   CT   _C11    43     1.57270   112.72016    75.22748
   51    49 S   CO4  _C19    61     1.46647   115.97185   177.15325
   52    51 S   O    _O37    62     1.22091   123.62266    59.99503
   53    50 S   CO4  _C12    44     1.52770   111.67185   -73.59817
   54    53 S   O    _O34    45     1.21701   128.33472   -63.08952
   55    51 S   OS   _O38    63     1.35669   108.62679  -119.99995
   56    53 S   CA   _C8_    46     1.43970   107.31367   118.22421
   57    55 S   CT   _C20    64     1.43206   115.32867  -179.96574
   58    57 S   HC   _H14    65     1.09260   109.48274   179.98022
   59    57 S   HC   _H15    66     1.09333   109.51442    59.19820
   60    57 S   HC   _H16    67     1.09209   108.97050   -60.43258
   61    56 S   CA   _C9_    47     1.37794   106.04827     1.15809
   62    61 S   CA   _C10    48     1.38139   120.59163   179.61336
   63    62 S   HA   _H7_    49     1.08457   120.93786  -180.00000
   64    50 S   OS   _O33    60     1.46433   110.56466    42.20469
   65    62 S   CA   _C5_    50     1.39947   117.91919     0.01978
   66    65 S   CA   _C6_    51     1.40670   120.78044    -0.08623
   67    66 S   HA   _H6_    52     1.08842   119.73144   180.00000
   68    65 S   CT   _C4_    56     1.49244   119.64039  -179.93439
   69    68 S   HC   _H3_    57     1.09585   110.31856    89.99010
   70    68 S   HC   _H4_    58     1.09733   111.16816  -149.51288
   71    68 S   HC   _H5_    59     1.09804   111.20847   -30.54521
   72    56 S   CA   _C7_    53     1.38025   130.83387  -179.36604
   73    72 S   OH   _O39    54     1.35408   122.29528     0.48658
   74    73 S   HO   _H17    55     0.97303   110.62284    -0.00000
  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
  18   2   1   1  12   5   9   7   4   2   1   1  10   4   2   1
  10  10   8   2   8   4   4  10   3   2   1   1   8  10   4   2
   8   8   3   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    50    53    64    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    45    49    50    53    54    56    61    64    51    47    39    41    42    43    44  
   35    36  
   36  
    0  
   38    40    45    46    49    50    53    64    47    48    39    41  
   40    45    50    47    39  
   41    42    43    44    40    49    50    53    64  
   45    46    49    50    51    47    48  
   42    43    44    50  
   43    44  
   44  
    0  
   46    49    50    53    64    51    52    55    47    48  
   49    50    51    47  
   48    49  
    0  
   50    53    54    56    61    64    51    52    55    57  
   53    54    56    61    62    72    64    51    52    55  
   52    55    57    58    59    60    53    64  
   55    57  
   54    56    61    62    66    72    73    64  
   56    61    72    64  
   57    58    59    60  
   61    62    63    65    66    67    72    73    74    64  
   58    59    60  
   59    60  
   60  
    0  
   62    63    65    66    72    73    68    64  
   63    65    66    67    72    68    69    70    71    64  
   65    66    68    64  
   65    72  
   66    67    72    73    68    69    70    71  
   67    72    73    74    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   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  -0.316400   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   0.417900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   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   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    45   380.000  1.444
   40    47   510.000  1.338
   45    46   340.000  1.080
   45    49   549.000  1.340
   49    50   317.000  1.510
   49    51   320.000  1.462
   50    53   317.000  1.522
   50    64   320.000  1.410
   53    54   570.000  1.229
   53    56   310.000  1.470
   56    61   469.000  1.400
   56    72   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    65   469.000  1.400
   65    66   469.000  1.400
   65    68   317.000  1.510
   66    67   367.000  1.080
   66    72   469.000  1.400
   72    73   450.000  1.364
   73    74   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   51    52   570.000  1.229
   51    55   214.000  1.327
   55    57   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   47    48   553.000  0.945
   39    41   320.000  1.410
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    50    49    70.00000  112.02700
   33    50    53    63.00000  111.10000
   33    50    64    50.00000  109.50000
   33    39    41    60.00000  109.50000
   37    40    45    70.00000  123.01800
   37    40    47    80.00000  121.38400
   40    37    38    35.00000  120.00000
   40    45    46    35.00000  120.00000
   40    45    49    70.00000  123.01800
   40    47    48    70.00000  107.45700
   45    49    50    70.00000  124.00000
   45    49    51    65.00000  118.96000
   49    45    46    35.00000  120.00000
   49    50    53    70.00000  109.06800
   49    50    64    85.00000  110.90400
   49    51    52    80.00000  123.72100
   49    51    55    90.00000  111.29400
   50    33    37    70.00000  112.02700
   50    53    54    80.00000  120.40000
   50    53    56    65.00000  115.47100
   50    64    61    75.00000  111.00000
   53    56    61    60.00000  119.52600
   53    56    72    60.00000  119.52600
   56    53    54    75.00000  123.78400
   56    61    62    63.00000  120.00000
   56    61    64    70.00000  120.00000
   56    72    66    63.00000  120.00000
   56    72    73    70.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    65    63.00000  120.00000
   62    65    66    63.00000  120.00000
   62    65    68    70.00000  120.00000
   65    62    63    35.00000  120.00000
   65    66    67    35.00000  120.00000
   65    66    72    63.00000  120.00000
   65    68    69    35.00000  109.50000
   65    68    70    35.00000  109.50000
   65    68    71    35.00000  109.50000
   66    72    73    70.00000  120.00000
   72    56    61    63.00000  120.00000
   72    66    67    35.00000  120.00000
   72    73    74    35.00000  113.00000
   68    65    66    70.00000  120.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   64    50    53    90.00000  108.74100
   64    61    62    70.00000  120.00000
   51    49    50    65.00000  116.34900
   51    55    57    83.00000  116.90000
   55    51    52    83.00000  123.40000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    60    35.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   47    40    45    80.00000  121.38400
   39    33    37    85.00000  110.90400
   39    33    50    50.00000  109.50000
   39    41    42    35.00000  109.50000
   39    41    43    35.00000  109.50000
   39    41    44    35.00000  109.50000
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    50    49   0.56750  1.0 1.0
   29    33    50    49  -0.07550 -1.0 2.0
   29    33    50    49   0.20000  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    64   0.56750  1.0 1.0
   29    33    50    64  -0.07550 -1.0 2.0
   29    33    50    64   0.20000  1.0 3.0
   29    33    39    41   0.14700  1.0 1.0
   29    33    39    41  -1.16150 -1.0 2.0
   29    33    39    41   0.48700  1.0 3.0
   33    37    40    45   7.00000 -1.0 2.0
   33    37    40    47   7.00000 -1.0 2.0
   33    50    53    54   0.30150 -1.0 2.0
   33    50    53    56   0.05850 -1.0 2.0
   33    50    53    56   0.17250  1.0 3.0
   33    50    64    61  -0.32850  1.0 1.0
   33    50    64    61  -0.35800 -1.0 2.0
   33    50    64    61   0.33950  1.0 3.0
   33    39    41    42   0.37050  1.0 3.0
   33    39    41    43   0.37050  1.0 3.0
   33    39    41    44   0.37050  1.0 3.0
   37    33    50    49   0.31000  1.0 1.0
   37    33    50    49   0.14700 -1.0 2.0
   37    33    50    49   0.07550  1.0 3.0
   37    33    50    53  -0.98800  1.0 1.0
   37    33    50    53   0.48800 -1.0 2.0
   37    33    50    53   0.76800  1.0 3.0
   37    33    50    64   0.61850  1.0 1.0
   37    33    50    64  -0.22750 -1.0 2.0
   37    33    50    64   0.15300  1.0 3.0
   37    33    39    41  -0.77900  1.0 1.0
   37    33    39    41  -0.36900 -1.0 2.0
   37    33    39    41   0.40400  1.0 3.0
   37    40    45    46  -0.18600  1.0 3.0
   37    40   -45    49   0.28850  1.0 1.0
   37    40   -45    49   2.61350 -1.0 2.0
   37    40   -45    49   0.78400  1.0 3.0
   37    40    47    48  -0.66100  1.0 1.0
   37    40    47    48   1.20850 -1.0 2.0
   37    40    47    48  -0.36000  1.0 3.0
   38    37    40    45   7.00000 -1.0 2.0
   38    37    40    47   7.00000 -1.0 2.0
   40    45    49    50   7.00000 -1.0 2.0
   40    45    49    51   7.00000 -1.0 2.0
   45    40    47    48  -0.66100  1.0 1.0
   45    40    47    48   1.20850 -1.0 2.0
   45    40    47    48  -0.36000  1.0 3.0
   45    49   -50    33   0.09850  1.0 1.0
   45    49   -50    33   0.15250 -1.0 2.0
   45    49   -50    33  -0.50650  1.0 3.0
   45    49    50    53  -0.51250  1.0 1.0
   45    49    50    53  -0.88800 -1.0 2.0
   45    49    50    53   0.08850  1.0 3.0
   45    49    50    64   0.39000  1.0 1.0
   45    49    50    64  -0.05800 -1.0 2.0
   45    49    50    64  -0.55150  1.0 3.0
   45    49    51    52   1.00000 -1.0 2.0
   45    49    51    55  -0.56150  1.0 1.0
   45    49    51    55   2.19150 -1.0 2.0
   46    45    49    50   7.00000 -1.0 2.0
   46    45    49    51   7.00000 -1.0 2.0
   49    50    53    54   0.30150 -1.0 2.0
   49    50    53    56   0.65300  1.0 1.0
   49    50    53    56  -0.03850 -1.0 2.0
   49    50    53    56   0.33900  1.0 3.0
   49    50    64    61  -0.25600  1.0 1.0
   49    50    64    61  -0.40050 -1.0 2.0
   49    50    64    61   0.34700  1.0 3.0
   49    51    55    57   2.00000 -1.0 2.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    40   0.09850  1.0 1.0
   50    33   -37    40   0.15250 -1.0 2.0
   50    33   -37    40  -0.50650  1.0 3.0
   50    33    39    41   0.06250  1.0 1.0
   50    33    39    41  -0.01100 -1.0 2.0
   50    33    39    41   0.28050  1.0 3.0
   50    49    51    52  -0.64400  1.0 1.0
   50    49    51    52   0.26850 -1.0 2.0
   50    49    51    55  -0.15000  1.0 1.0
   50    49    51    55   0.89550 -1.0 2.0
   50    49    51    55  -0.06900  1.0 3.0
   50    53   -56    61   2.26350  1.0 1.0
   50    53   -56    61   0.76750 -1.0 2.0
   50    53   -56    61   0.22500  1.0 3.0
   50    53    56    72   2.26350  1.0 1.0
   50    53    56    72   0.76750 -1.0 2.0
   50    53    56    72   0.22500  1.0 3.0
   53    50   -64    61  -0.25600  1.0 1.0
   53    50   -64    61  -0.40050 -1.0 2.0
   53    50   -64    61   0.34700  1.0 3.0
   53    56    61    62   3.62500 -1.0 2.0
   53    56   -61    64   3.62500 -1.0 2.0
   53    56    72    66   3.62500 -1.0 2.0
   53    56    72    73   3.62500 -1.0 2.0
   54    53    56    61   1.05000 -1.0 2.0
   54    53    56    72   1.05000 -1.0 2.0
   56    61    62    63   3.62500 -1.0 2.0
   56    61    62    65   3.62500 -1.0 2.0
   56    61   -64    50   1.63200 -1.0 2.0
   56    72    73    74   0.84100 -1.0 2.0
   61    56    72    66   3.62500 -1.0 2.0
   61    56    72    73   3.62500 -1.0 2.0
   61    62   -65    66   3.62500 -1.0 2.0
   61    62    65    68   3.62500 -1.0 2.0
   62    61    64    50   1.63200 -1.0 2.0
   62    65    66    67   3.62500 -1.0 2.0
   62    65    66    72   3.62500 -1.0 2.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.00000  1.0 1.0
   62    65    68    71   0.00000  1.0 1.0
   63    62    65    66   3.62500 -1.0 2.0
   63    62    65    68   3.62500 -1.0 2.0
   65    66   -72    56   3.62500 -1.0 2.0
   65    66    72    73   3.62500 -1.0 2.0
   66    65    68    69   0.00000  1.0 1.0
   66    65    68    70   0.00000  1.0 1.0
   66    65    68    71   0.00000  1.0 1.0
   66    72    73    74   0.84100 -1.0 2.0
   67    66    72    56   3.62500 -1.0 2.0
   67    66    72    73   3.62500 -1.0 2.0
   72    56   -61    62   3.62500 -1.0 2.0
   72    56    61    64   3.62500 -1.0 2.0
   68    65    66    67   3.62500 -1.0 2.0
   68    65    66    72   3.62500 -1.0 2.0
   64    50    53    54   0.30150 -1.0 2.0
   64    50   -53    56   0.65300  1.0 1.0
   64    50   -53    56  -0.03850 -1.0 2.0
   64    50   -53    56   0.33900  1.0 3.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    65   3.62500 -1.0 2.0
   51    49    50    33   0.09700  1.0 1.0
   51    49    50    33   0.15600 -1.0 2.0
   51    49    50    33  -0.50800  1.0 3.0
   51    49    50    53   0.09700  1.0 1.0
   51    49    50    53   0.15600 -1.0 2.0
   51    49    50    53  -0.50800  1.0 3.0
   51    49    50    64   0.09700  1.0 1.0
   51    49    50    64   0.15600 -1.0 2.0
   51    49    50    64  -0.50800  1.0 3.0
   51    55    57    58   0.08050  1.0 3.0
   51    55    57    59   0.08050  1.0 3.0
   51    55    57    60   0.08050  1.0 3.0
   52    51    55    57   3.00000 -1.0 2.0
   47    40    45    46   0.00000  1.0 1.0
   47    40    45    49   0.50950  1.0 1.0
   47    40    45    49   0.56650 -1.0 2.0
   47    40    45    49   0.34050  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.39000  1.0 1.0
   39    33    37    40  -0.05800 -1.0 2.0
   39    33    37    40  -0.55150  1.0 3.0
   39    33    50    49   0.61850  1.0 1.0
   39    33    50    49  -0.22750 -1.0 2.0
   39    33    50    49   0.15300  1.0 3.0
   39    33    50    53  -0.09450  1.0 1.0
   39    33    50    53  -1.12950 -1.0 2.0
   39    33    50    53   0.54000  1.0 3.0
   39    33    50    64   1.11900  1.0 1.0
   39    33    50    64  -1.16350 -1.0 2.0
   39    33    50    64  -0.34150  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    40   1.10000 -1.0 2.0
   45    47    40    37   1.10000 -1.0 2.0
   40    46    45    49   1.10000 -1.0 2.0
   51    50    49    45   1.10000 -1.0 2.0
   50    56    53    54  10.50000 -1.0 2.0
   61    72    56    53   4.00000 -1.0 2.0
   62    64    61    56   4.00000 -1.0 2.0
   65    63    62    61   1.10000 -1.0 2.0
   66    68    65    62   4.00000 -1.0 2.0
   72    67    66    65   1.10000 -1.0 2.0
   66    73    72    56   4.00000 -1.0 2.0
   49    55    51    52  10.50000 -1.0 2.0
END
