* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    121    190     353
    1     0 S   NP   _N1_     1    28.94464    96.12697   -25.58532
    2     1 S   H    _HN1     2     1.02788   117.83481   -86.86143
    3     1 S   H    _H1_     3     1.02949    69.59297    13.73494
    4     1 S   H    _H2_     4     1.02827    37.56730  -170.16643
    5     1 S   CT   _CA1     5     1.50121   126.97194   114.41550
    6     5 S   HC   _HA1     6     1.09574   105.17097    98.36712
    7     5 S   CO3  _C1_     7     1.53773   112.48786   -21.83149
    8     7 S   O2Z  _O11     8     1.26373   115.00335   -42.00362
    9     7 S   O2Z  _O12     9     1.26240   114.94077   137.06947
   10     5 S   CT   _CB1    10     1.53070   107.41115  -143.66807
   11    10 S   HC   HB11    11     1.09837   109.31959   -49.65720
   12    10 S   HC   HB12    12     1.09811   110.47029    66.93767
   13    10 S   CT   _CG1    13     1.53005   112.63498  -170.62472
   14    13 S   HC   HG11    14     1.09575   110.67604   -66.96872
   15    13 S   HC   HG12    15     1.09672   109.73808    52.27061
   16    13 S   C    _CD1    16     1.51809   112.12945   172.70884
   17    16 S   O    _OE1    17     1.22739   123.24891     9.60087
   18    16 S   N    _N2_    18     1.38667   111.74751  -170.40976
   19    18 S   H    _HN2    19     1.01575   118.91749     1.47896
   20    18 S   CT1  _CA2    20     1.46195   123.34988   176.56692
   21    20 S   HC   _HA2    21     1.09737   109.35680     5.09524
   22    20 S   C    _C2_    22     1.53613   108.61987  -110.37506
   23    22 S   O    _O2_    23     1.23068   122.25674  -147.57692
   24    20 S   CT   _CB2    32     1.53351   111.68082   127.17162
   25    24 S   HC   HB21    33     1.09580   110.13658    56.24112
   26    24 S   HC   HB22    34     1.09428   109.81471   175.32404
   27    22 S   N    _N3_    24     1.38314   113.76667    39.83056
   28    27 S   H    _HN3    25     1.01568   119.62011    -3.10955
   29    24 S   S    _SG2    35     1.82664   111.56651   -64.86216
   30    27 S   CT   _CA3    26     1.45289   123.26047   177.22943
   31    30 S   HC   HA31    27     1.09548   107.49749   -65.06906
   32    30 S   HC   HA32    28     1.09556   108.01006    51.38666
   33    29 S   CT   _C6_    36     1.83580    99.89573   170.95856
   34    33 S   HC   _H4_    37     1.09738   107.41806   -53.29735
   35    30 S   CO3  _C3_    29     1.52974   114.04710   173.39289
   36    35 S   O2Z  _O31    30     1.26382   116.06655    -0.70165
   37    35 S   O2Z  _O32    31     1.26426   114.41586   179.35928
   38    33 S   CO4  _C7_    38     1.52613   110.09785  -168.40313
   39    38 S   O    _O34    39     1.23008   123.77465    12.17728
   40    38 S   CM   _C8_    40     1.50164   116.61140  -171.19277
   41    40 S   CM   _C9_    41     1.34097   119.35961    17.34087
   42    41 S   HC   _H8_    42     1.08607   121.76534  -177.43708
   43    40 S   CM   _C11    52     1.45267   118.81128  -160.23572
   44    41 S   CO4  _C10    43     1.48257   122.38062     2.73259
   45    44 S   O    _O35    44     1.22974   119.47798  -173.87855
   46    43 S   CM   _C12    53     1.34114   122.91450  -118.76416
   47    46 S   HC   _H9_    54     1.08326   123.77880    -0.00000
   48    43 S   CO4  _C19    65     1.48934   119.82774    61.15482
   49    48 S   O    _O37    66     1.22466   122.33792     3.25052
   50    33 S   CT   _C5_    45     1.53092   112.46040    68.64565
   51    50 S   HC   _H3_    46     1.09673   109.80963   -63.77534
   52    46 S   OS   _O36    55     1.37359   126.83533   179.40357
   53    50 S   OS   _O33    47     1.42547   110.22025    59.36822
   54    52 S   CA   _C13    56     1.37158   117.64513    -1.51025
   55    53 S   CT   _C4_    48     1.42163   113.08754  -154.92657
   56    55 S   HC   _H5_    49     1.09332   108.21343   179.70261
   57    55 S   HC   _H6_    50     1.09427   110.42209    61.12533
   58    55 S   HC   _H7_    51     1.09350   110.97165   -61.41049
   59    54 S   CA   _C14    57     1.39466   117.20551  -178.47274
   60    59 S   HA   _H10    58     1.08656   120.40087     0.08847
   61    59 S   CA   _C15    59     1.39312   119.35660  -179.93147
   62    61 S   CA   _C16    60     1.39463   120.93554     0.03426
   63    62 S   HA   _H11    61     1.08622   120.93058   180.00000
   64    61 S   OH   _O38    67     1.36649   118.09337  -179.97202
   65    64 S   HO   _H13    68     0.97247   108.63201   179.94405
   66    62 S   CA   _C17    62     1.39564   119.59911     0.00000
   67    66 S   HA   _H12    63     1.08678   119.21109   180.00000
   68    54 S   CA   _C18    64     1.39492   122.69462     1.65221
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  12   7   2   1   1  11   4  12   9   4   9   5   3   7   3   8
   3   6   2   6   4   8   3   2   1   1   8   4   7   6   4   2
   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    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    44    50    51    53  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    50    51    53    55    43  
   38    39    40    44    50    51    53  
   36    37  
   37  
    0  
   39    40    41    42    44    50    51    53    43    46    48  
   40    41    50    43  
   41    42    44    45    50    43    46    47    52    68    48    49  
   42    44    45    50    51    53    43    46    48  
   44    45    50    43  
   46    47    52    54    66    68    48    49    44  
   45    50    51    53    55  
   50    51    53  
   47    52    54    59    68    48    49  
   52    54    48  
   49    52    54    59    62    66    67    68  
   54    66    68  
   51    53    55    56    57    58  
   53    55  
   54    59    60    61    66    68  
   55    56    57    58  
   59    60    61    62    66    67    68    64  
   56    57    58  
   57    58  
   58  
    0  
   60    61    62    63    66    68    64    65  
   61    62    68    64  
   62    63    66    67    68    64    65  
   63    66    67    68    64    65  
   66    67    68    64  
   65    66  
    0  
   67    68  
   68  
    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   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   2.8500   0.1400  -0.170000   1.7660   1.5600   0.020110767  -0.896042159
   53   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5500   0.0700   0.150000   2.0020   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    50   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   549.000  1.340
   40    43   380.000  1.444
   41    42   340.000  1.080
   41    44   320.000  1.462
   44    45   570.000  1.229
   44    50   317.000  1.522
   50    51   340.000  1.090
   50    53   320.000  1.410
   53    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   43    46   549.000  1.340
   43    48   320.000  1.462
   46    47   340.000  1.080
   46    52   440.000  1.360
   52    54   450.000  1.364
   54    59   469.000  1.400
   54    68   469.000  1.400
   59    60   367.000  1.080
   59    61   469.000  1.400
   61    62   469.000  1.400
   61    64   450.000  1.364
   62    63   367.000  1.080
   62    66   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    48   310.000  1.470
   48    49   570.000  1.229
   64    65   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  110.18000
   29    33    50    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    50    44    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    53    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  118.96000
   38    40    43    60.00000  124.00000
   40    38    39    80.00000  123.72100
   40    41    42    35.00000  120.00000
   40    41    44    65.00000  118.96000
   40    43    46    60.00000  124.00000
   40    43    48    60.00000  124.00000
   41    44    45    80.00000  123.72100
   41    44    50    65.00000  118.62400
   44    41    42    40.00000  117.72500
   44    50    51    35.00000  109.50000
   44    50    53    90.00000  108.74100
   50    33    34    37.50000  110.70000
   50    33    38    63.00000  111.10000
   50    44    45    80.00000  120.40000
   50    53    55    60.00000  109.50000
   53    50    51    35.00000  109.50000
   53    55    56    35.00000  109.50000
   53    55    57    35.00000  109.50000
   53    55    58    35.00000  109.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   43    40    41    60.00000  124.00000
   43    46    47    35.00000  120.00000
   43    46    52    80.00000  120.01400
   43    48    68    65.00000  117.02400
   43    48    49    80.00000  123.72100
   46    52    54    90.00000  114.30300
   52    46    47    55.00000  109.52600
   52    54    59    70.00000  120.00000
   52    54    68    70.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    61    63.00000  120.00000
   54    68    66    63.00000  120.00000
   54    68    48    60.00000  119.52600
   59    61    62    63.00000  120.00000
   59    61    64    70.00000  120.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  120.00000
   61    62    66    63.00000  120.00000
   61    64    65    35.00000  113.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   66    62    63    35.00000  120.00000
   66    68    48    60.00000  119.52600
   68    54    59    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    48    49    75.00000  123.78400
   48    43    46    65.00000  118.96000
   64    61    62    70.00000  120.00000
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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    50    44   0.56750  1.0 1.0
   29    33    50    44  -0.07550 -1.0 2.0
   29    33    50    44   0.20000  1.0 3.0
   29    33    50    51   0.15000  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
   33    38    40    41  -0.33500  1.0 1.0
   33    38    40    41   1.06600 -1.0 2.0
   33    38    40    41  -0.14000  1.0 3.0
   33    38    40    43  -0.33500  1.0 1.0
   33    38    40    43   1.06600 -1.0 2.0
   33    38    40    43  -0.14000  1.0 3.0
   33    50    53    55   0.06250  1.0 1.0
   33    50    53    55  -0.01100 -1.0 2.0
   33    50    53    55   0.28050  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    50    44  -0.11250  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    53   0.23400  1.0 3.0
   38    33    50    44   0.11950  1.0 1.0
   38    33    50    44   0.20300 -1.0 2.0
   38    33    50    44  -0.70800  1.0 3.0
   38    33    50    51  -0.11250  1.0 3.0
   38    33    50    53  -0.09450  1.0 1.0
   38    33    50    53  -1.12950 -1.0 2.0
   38    33    50    53   0.54000  1.0 3.0
   38    40    41    42   7.00000 -1.0 2.0
   38    40   -41    44   7.00000 -1.0 2.0
   38    40    43    46  -0.18600  1.0 3.0
   38    40    43    48   1.08500 -1.0 2.0
   39    38    40    41   1.00000 -1.0 2.0
   39    38    40    43   1.00000 -1.0 2.0
   40    41    44    45   1.00000 -1.0 2.0
   40    41    44    50  -0.33500  1.0 1.0
   40    41    44    50   1.06600 -1.0 2.0
   40    41    44    50  -0.14000  1.0 3.0
   40    43    46    47   7.00000 -1.0 2.0
   40    43    46    52   7.00000 -1.0 2.0
   40    43    48    68  -1.65800  1.0 1.0
   40    43    48    68   0.77650 -1.0 2.0
   40    43    48    49   1.00000 -1.0 2.0
   41    40    43    46   0.28850  1.0 1.0
   41    40    43    46   2.61350 -1.0 2.0
   41    40    43    46   0.78400  1.0 3.0
   41    40    43    48  -0.18600  1.0 3.0
   41    44   -50    33   0.65300  1.0 1.0
   41    44   -50    33  -0.03850 -1.0 2.0
   41    44   -50    33   0.33900  1.0 3.0
   41    44    50    51   0.00000  1.0 1.0
   41    44    50    53   0.65300  1.0 1.0
   41    44    50    53  -0.03850 -1.0 2.0
   41    44    50    53   0.33900  1.0 3.0
   42    41    44    45   0.00000  1.0 1.0
   42    41    44    50   0.04550  1.0 1.0
   42    41    44    50   0.83000 -1.0 2.0
   42    41    44    50  -0.04000  1.0 3.0
   44    50    53    55  -1.11000  1.0 1.0
   44    50    53    55   0.50250 -1.0 2.0
   44    50    53    55   0.47450  1.0 3.0
   45    44    50    33   0.30150 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    53   0.30150 -1.0 2.0
   50    33    38    39   0.30150 -1.0 2.0
   50    33   -38    40   0.65300  1.0 1.0
   50    33   -38    40  -0.03850 -1.0 2.0
   50    33   -38    40   0.33900  1.0 3.0
   50    53    55    56   0.37050  1.0 3.0
   50    53    55    57   0.37050  1.0 3.0
   50    53    55    58   0.37050  1.0 3.0
   51    50    53    55   0.37050  1.0 3.0
   43    40    41    42   7.00000 -1.0 2.0
   43    40    41    44   7.00000 -1.0 2.0
   43    46    52    54   2.00000 -1.0 2.0
   46    43    48    68  -1.65800  1.0 1.0
   46    43    48    68   0.77650 -1.0 2.0
   46    43    48    49   1.00000 -1.0 2.0
   46    52    54    59   0.00000  1.0 1.0
   46    52   -54    68   0.00000  1.0 1.0
   47    46    52    54   0.50000 -1.0 2.0
   52    54    59    60   3.62500 -1.0 2.0
   52    54    59    61   3.62500 -1.0 2.0
   52    54    68    66   3.62500 -1.0 2.0
   52    54    68    48   3.62500 -1.0 2.0
   54    59    61    62   3.62500 -1.0 2.0
   54    59    61    64   3.62500 -1.0 2.0
   54    68   -48    43  -0.11500  1.0 1.0
   54    68   -48    43   1.10450 -1.0 2.0
   54    68   -48    43  -0.48050  1.0 3.0
   54    68    48    49   1.05000 -1.0 2.0
   59    54    68    66   3.62500 -1.0 2.0
   59    54    68    48   3.62500 -1.0 2.0
   59    61    62    63   3.62500 -1.0 2.0
   59    61   -62    66   3.62500 -1.0 2.0
   59    61    64    65   0.84100 -1.0 2.0
   60    59    61    62   3.62500 -1.0 2.0
   60    59    61    64   3.62500 -1.0 2.0
   61    62    66    67   3.62500 -1.0 2.0
   61    62    66    68   3.62500 -1.0 2.0
   62    61    64    65   0.84100 -1.0 2.0
   62    66   -68    54   3.62500 -1.0 2.0
   62    66    68    48   3.62500 -1.0 2.0
   63    62    66    67   3.62500 -1.0 2.0
   63    62    66    68   3.62500 -1.0 2.0
   66    68    48    43  -0.11500  1.0 1.0
   66    68    48    43   1.10450 -1.0 2.0
   66    68    48    43  -0.48050  1.0 3.0
   66    68    48    49   1.05000 -1.0 2.0
   67    66    68    54   3.62500 -1.0 2.0
   67    66    68    48   3.62500 -1.0 2.0
   68    54    59    60   3.62500 -1.0 2.0
   68    54   -59    61   3.62500 -1.0 2.0
   48    43    46    47   7.00000 -1.0 2.0
   48    43   -46    52   7.00000 -1.0 2.0
   64    61    62    63   3.62500 -1.0 2.0
   64    61    62    66   3.62500 -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
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    43    40    41   1.10000 -1.0 2.0
   44    42    41    40   1.10000 -1.0 2.0
   41    50    44    45  10.50000 -1.0 2.0
   40    48    43    46   1.10000 -1.0 2.0
   52    47    46    43   1.10000 -1.0 2.0
   59    68    54    52   4.00000 -1.0 2.0
   61    60    59    54   1.10000 -1.0 2.0
   62    64    61    59   4.00000 -1.0 2.0
   66    63    62    61   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   66    48    68    54   4.00000 -1.0 2.0
   43    68    48    49  10.50000 -1.0 2.0
END
