* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    132    216     396
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02044   106.25359    -5.59934
    3     1 S   H    _H1_     3     1.02056    50.92761    95.55500
    4     1 S   H    _H2_     4     1.02093    61.39105  -108.37534
    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     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08612   109.94660   179.10082
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C15    36     1.84385    97.45315   161.84346
   34    33 S   HC   _H6_    37     1.09754   105.34041   -34.09775
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C14    38     1.50590   105.49472    80.00669
   39    38 S   HC   _H16    39     1.08855   117.05074   -69.82141
   40    38 S   CM   _C13    40     1.34286   124.13517   109.89390
   41    40 S   CM   _C11    41     1.46540   123.04307    -0.53229
   42    40 S   OH   _O33    69     1.38415   121.04080   179.89913
   43    42 S   HO   _H17    70     0.95965   109.45529    -0.07133
   44    41 S   CT   _C10    42     1.54332   115.79672    -9.59657
   45    44 S   HC   _H5_    43     1.10072   105.64453   -78.61822
   46    41 S   CM   _C12    66     1.34627   120.68948   169.83993
   47    46 S   HC   _H14    67     1.07717   120.17581   178.62186
   48    46 S   HC   _H15    68     1.07771   120.11919    -1.34115
   49    44 S   CT   _C9_    44     1.54598   114.22838   165.33908
   50    49 S   HC   _H12    45     1.09806   109.71686   -55.92565
   51    49 S   HC   _H13    46     1.09911   109.49900    59.59062
   52    33 S   CT   _C5_    58     1.57679   116.76800  -154.34773
   53    49 S   CT   _C8_    47     1.53374   114.10014   179.19400
   54    53 S   HC   _H4_    48     1.09556   109.73631   -77.64262
   55    52 S   CT   _C4_    59     1.55882   107.00004   162.46147
   56    55 S   HC   _H7_    60     1.07834   108.23557    59.83005
   57    55 S   HC   _H8_    61     1.07848   108.24142   -60.17402
   58    55 S   HC   _H9_    62     1.07855   108.21820   179.77100
   59    53 S   CM   _C16    49     1.49000   110.56273   157.21476
   60    59 S   CO4  _C18    50     1.48075   108.25844   -93.44685
   61    60 S   O    _O34    51     1.21773   127.26874   167.70294
   62    59 S   CM   _C17    63     1.33484   128.83911    88.23897
   63    62 S   HC   _H18    64     1.08456   120.69279    -1.96005
   64    62 S   HC   _H19    65     1.08398   120.78494   178.13617
   65    60 S   OS   _O35    52     1.36842   106.56262   -10.74235
   66    53 S   CT   _C7_    53     1.51497   114.77596    47.08952
   67    66 S   HC   _H3_    54     1.10038   110.28502  -162.70210
   68    66 S   CT   _C6_    55     1.52507   114.32075   -41.74677
   69    68 S   HC   _H10    56     1.09787   109.50246   169.32478
   70    68 S   HC   _H11    57     1.09548   104.87600   -76.17092
  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
  18   7   2   1   1  10   4  10  14   3   1  19   8   4   1   1
  13   6   5  11  13   7   7   3   2   1   9   8   3   4   1   1
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    68    52    55  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    49    66    68    69    70    52    55    56    57    58    42  
   38    39    40    44    68    52    55  
   36    37  
   37  
    0  
   39    40    41    44    68    52    55    46    42    43  
   40    41    52    42  
   41    44    45    49    52    46    47    48    42    43  
   44    45    49    50    51    53    68    52    55    46    47    48    42    43  
   43    44    46  
    0  
   45    49    50    51    53    54    59    66    68    69    70    52    55    56    57    58    46    47    48  
   49    50    51    53    68    52    55    46  
   47    48    49    52  
   48  
    0  
   50    51    53    54    59    60    65    66    67    68    52    55    62  
   51    53    54    59    66    52  
   53    54    59    66    52  
   55    56    57    58    53    65    66    67    68    69    70  
   54    59    60    61    65    66    67    68    69    70    62    63    64  
   59    60    65    66    67    68    62  
   56    57    58    66    68    69    70  
   57    58    68  
   58    68  
   68  
   60    61    65    66    67    68    62    63    64  
   61    65    66    67    68    62    63    64  
   65    66    62  
   63    64    65    66  
   64  
    0  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70  
   69    70  
   70  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   268.000  1.529
   38    39   340.000  1.080
   38    40   549.000  1.340
   40    41   380.000  1.444
   40    42   510.000  1.338
   41    44   317.000  1.510
   41    46   549.000  1.340
   44    45   340.000  1.090
   44    49   268.000  1.529
   44    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   340.000  1.090
   53    59   317.000  1.510
   53    66   268.000  1.529
   59    60   320.000  1.462
   59    62   549.000  1.340
   60    61   570.000  1.229
   60    65   214.000  1.327
   65    66   320.000  1.410
   66    67   340.000  1.090
   66    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    52   268.000  1.529
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   62    63   340.000  1.080
   62    64   340.000  1.080
   46    47   340.000  1.080
   46    48   340.000  1.080
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    52    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    52    44    58.35000  112.70000
   33    52    68    58.35000  112.70000
   33    52    55    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    70.00000  123.01800
   38    40    42    80.00000  121.38400
   40    38    39    35.00000  120.00000
   40    41    44    70.00000  124.00000
   40    41    46    70.00000  123.01800
   40    42    43    70.00000  107.45700
   41    44    45    35.00000  109.50000
   41    44    49    70.00000  112.02700
   41    44    52    70.00000  112.02700
   41    46    47    35.00000  120.00000
   41    46    48    35.00000  120.00000
   44    49    50    37.50000  110.70000
   44    49    51    37.50000  110.70000
   44    49    53    58.35000  112.70000
   44    52    68    58.35000  112.70000
   44    52    55    58.35000  112.70000
   49    44    45    37.50000  110.70000
   49    53    54    37.50000  110.70000
   49    53    59    70.00000  112.02700
   49    53    66    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    59    60    65.00000  116.34900
   53    59    62    70.00000  124.00000
   53    66    65    50.00000  109.50000
   53    66    67    37.50000  110.70000
   53    66    68    58.35000  112.70000
   59    53    54    35.00000  109.50000
   59    60    61    80.00000  123.72100
   59    60    65    90.00000  111.29400
   59    62    63    35.00000  120.00000
   59    62    64    35.00000  120.00000
   60    65    66    83.00000  116.90000
   65    60    61    83.00000  123.40000
   65    66    67    35.00000  109.50000
   65    66    68    50.00000  109.50000
   66    53    54    37.50000  110.70000
   66    53    59    70.00000  112.02700
   66    68    69    37.50000  110.70000
   66    68    70    37.50000  110.70000
   66    68    52    58.35000  112.70000
   68    66    67    37.50000  110.70000
   68    52    55    58.35000  112.70000
   70    68    69    33.00000  107.80000
   52    33    34    37.50000  110.70000
   52    33    38    70.00000  112.02700
   52    44    45    37.50000  110.70000
   52    44    49    58.35000  112.70000
   52    68    69    37.50000  110.70000
   52    68    70    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   62    59    60    65.00000  118.96000
   64    62    63    35.00000  117.00000
   46    41    44    70.00000  124.00000
   48    46    47    35.00000  117.00000
   42    40    41    80.00000  121.38400
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    52    44   0.44750  1.0 1.0
   29    33    52    44  -0.17800 -1.0 2.0
   29    33    52    44   0.20200  1.0 3.0
   29    33    52    68   0.44750  1.0 1.0
   29    33    52    68  -0.17800 -1.0 2.0
   29    33    52    68   0.20200  1.0 3.0
   29    33    52    55   0.44750  1.0 1.0
   29    33    52    55  -0.17800 -1.0 2.0
   29    33    52    55   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    52    55    56   0.15000  1.0 3.0
   33    52    55    57   0.15000  1.0 3.0
   33    52    55    58   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    52    44   0.15000  1.0 3.0
   34    33    52    68   0.15000  1.0 3.0
   34    33    52    55   0.15000  1.0 3.0
   38    33    52    44   0.34400  1.0 1.0
   38    33    52    44   0.09450 -1.0 2.0
   38    33    52    44   0.11100  1.0 3.0
   38    33    52    68   0.34400  1.0 1.0
   38    33    52    68   0.09450 -1.0 2.0
   38    33    52    68   0.11100  1.0 3.0
   38    33    52    55   0.34400  1.0 1.0
   38    33    52    55   0.09450 -1.0 2.0
   38    33    52    55   0.11100  1.0 3.0
   38    40   -41    44  -0.18600  1.0 3.0
   38    40    41    46   0.28850  1.0 1.0
   38    40    41    46   2.61350 -1.0 2.0
   38    40    41    46   0.78400  1.0 3.0
   38    40    42    43  -0.66100  1.0 1.0
   38    40    42    43   1.20850 -1.0 2.0
   38    40    42    43  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    41    44    45   0.00000  1.0 1.0
   40    41    44    49   0.98200  1.0 1.0
   40    41    44    49  -0.11900 -1.0 2.0
   40    41    44    49   0.24250  1.0 3.0
   40    41    44    52   0.98200  1.0 1.0
   40    41    44    52  -0.11900 -1.0 2.0
   40    41    44    52   0.24250  1.0 3.0
   40    41    46    47   7.00000 -1.0 2.0
   40    41    46    48   7.00000 -1.0 2.0
   41    40    42    43  -0.66100  1.0 1.0
   41    40    42    43   1.20850 -1.0 2.0
   41    40    42    43  -0.36000  1.0 3.0
   41    44    49    50   0.15000  1.0 3.0
   41    44    49    51   0.15000  1.0 3.0
   41    44    49    53   0.34400  1.0 1.0
   41    44    49    53   0.09450 -1.0 2.0
   41    44    49    53   0.11100  1.0 3.0
   41    44   -52    33   0.34400  1.0 1.0
   41    44   -52    33   0.09450 -1.0 2.0
   41    44   -52    33   0.11100  1.0 3.0
   41    44    52    68   0.34400  1.0 1.0
   41    44    52    68   0.09450 -1.0 2.0
   41    44    52    68   0.11100  1.0 3.0
   41    44    52    55   0.34400  1.0 1.0
   41    44    52    55   0.09450 -1.0 2.0
   41    44    52    55   0.11100  1.0 3.0
   44    41    46    47   7.00000 -1.0 2.0
   44    41    46    48   7.00000 -1.0 2.0
   44    49    53    54   0.15000  1.0 3.0
   44    49    53    59   0.34400  1.0 1.0
   44    49    53    59   0.09450 -1.0 2.0
   44    49    53    59   0.11100  1.0 3.0
   44    49    53    66   0.56750  1.0 1.0
   44    49    53    66  -0.07550 -1.0 2.0
   44    49    53    66   0.20000  1.0 3.0
   44    52    55    56   0.15000  1.0 3.0
   44    52    55    57   0.15000  1.0 3.0
   44    52    55    58   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   45    44    49    51   0.15000  1.0 3.0
   45    44    49    53   0.15000  1.0 3.0
   45    44    52    33   0.15000  1.0 3.0
   45    44    52    68   0.15000  1.0 3.0
   45    44    52    55   0.15000  1.0 3.0
   49    44    52    33   0.56750  1.0 1.0
   49    44    52    33  -0.07550 -1.0 2.0
   49    44    52    33   0.20000  1.0 3.0
   49    44    52    68   0.56750  1.0 1.0
   49    44    52    68  -0.07550 -1.0 2.0
   49    44    52    68   0.20000  1.0 3.0
   49    44    52    55   0.56750  1.0 1.0
   49    44    52    55  -0.07550 -1.0 2.0
   49    44    52    55   0.20000  1.0 3.0
   49    53    59    60   0.09700  1.0 1.0
   49    53    59    60   0.15600 -1.0 2.0
   49    53    59    60  -0.50800  1.0 3.0
   49    53    59    62   0.09850  1.0 1.0
   49    53    59    62   0.15250 -1.0 2.0
   49    53    59    62  -0.50650  1.0 3.0
   49    53    66    65   0.62750  1.0 1.0
   49    53    66    65  -0.30950 -1.0 2.0
   49    53    66    65   0.27300  1.0 3.0
   49    53    66    67   0.15000  1.0 3.0
   49    53   -66    68   0.56750  1.0 1.0
   49    53   -66    68  -0.07550 -1.0 2.0
   49    53   -66    68   0.20000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    59   0.15000  1.0 3.0
   50    49    53    66   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    59   0.15000  1.0 3.0
   51    49    53    66   0.15000  1.0 3.0
   53    59    60    61  -0.64400  1.0 1.0
   53    59    60    61   0.26850 -1.0 2.0
   53    59   -60    65  -0.15000  1.0 1.0
   53    59   -60    65   0.89550 -1.0 2.0
   53    59   -60    65  -0.06900  1.0 3.0
   53    59    62    63   7.00000 -1.0 2.0
   53    59    62    64   7.00000 -1.0 2.0
   53    66    68    69   0.15000  1.0 3.0
   53    66    68    70   0.15000  1.0 3.0
   53    66    68    52   0.56750  1.0 1.0
   53    66    68    52  -0.07550 -1.0 2.0
   53    66    68    52   0.20000  1.0 3.0
   54    53    59    60   0.15000  1.0 3.0
   54    53    59    62   0.00000  1.0 1.0
   54    53    66    65   0.23400  1.0 3.0
   54    53    66    67   0.15000  1.0 3.0
   54    53    66    68   0.15000  1.0 3.0
   59    53   -66    65   0.61850  1.0 1.0
   59    53   -66    65  -0.22750 -1.0 2.0
   59    53   -66    65   0.15300  1.0 3.0
   59    53    66    67   0.15000  1.0 3.0
   59    53    66    68   0.34400  1.0 1.0
   59    53    66    68   0.09450 -1.0 2.0
   59    53    66    68   0.11100  1.0 3.0
   59    60   -65    66   2.00000 -1.0 2.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    64   7.00000 -1.0 2.0
   60    65   -66    53  -0.25900  1.0 1.0
   60    65   -66    53  -0.47000 -1.0 2.0
   60    65   -66    53   0.11750  1.0 3.0
   60    65    66    67   0.08050  1.0 3.0
   60    65    66    68  -0.25900  1.0 1.0
   60    65    66    68  -0.47000 -1.0 2.0
   60    65    66    68   0.11750  1.0 3.0
   61    60    65    66   3.00000 -1.0 2.0
   65    66    68    69   0.23400  1.0 3.0
   65    66    68    70   0.23400  1.0 3.0
   65    66    68    52   0.62750  1.0 1.0
   65    66    68    52  -0.30950 -1.0 2.0
   65    66    68    52   0.27300  1.0 3.0
   66    53   -59    60   0.09700  1.0 1.0
   66    53   -59    60   0.15600 -1.0 2.0
   66    53   -59    60  -0.50800  1.0 3.0
   66    53    59    62   0.09850  1.0 1.0
   66    53    59    62   0.15250 -1.0 2.0
   66    53    59    62  -0.50650  1.0 3.0
   66    68    52    33   0.56750  1.0 1.0
   66    68    52    33  -0.07550 -1.0 2.0
   66    68    52    33   0.20000  1.0 3.0
   66    68   -52    44   0.56750  1.0 1.0
   66    68   -52    44  -0.07550 -1.0 2.0
   66    68   -52    44   0.20000  1.0 3.0
   66    68    52    55   0.56750  1.0 1.0
   66    68    52    55  -0.07550 -1.0 2.0
   66    68    52    55   0.20000  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    70   0.15000  1.0 3.0
   67    66    68    52   0.15000  1.0 3.0
   68    52    55    56   0.15000  1.0 3.0
   68    52    55    57   0.15000  1.0 3.0
   68    52    55    58   0.15000  1.0 3.0
   69    68    52    33   0.15000  1.0 3.0
   69    68    52    44   0.15000  1.0 3.0
   69    68    52    55   0.15000  1.0 3.0
   70    68    52    33   0.15000  1.0 3.0
   70    68    52    44   0.15000  1.0 3.0
   70    68    52    55   0.15000  1.0 3.0
   52    33    38    39   0.00000  1.0 1.0
   52    33   -38    40   0.09850  1.0 1.0
   52    33   -38    40   0.15250 -1.0 2.0
   52    33   -38    40  -0.50650  1.0 3.0
   52    44    49    50   0.15000  1.0 3.0
   52    44    49    51   0.15000  1.0 3.0
   52    44   -49    53   0.56750  1.0 1.0
   52    44   -49    53  -0.07550 -1.0 2.0
   52    44   -49    53   0.20000  1.0 3.0
   62    59    60    61   1.00000 -1.0 2.0
   62    59    60    65  -0.56150  1.0 1.0
   62    59    60    65   2.19150 -1.0 2.0
   46    41    44    45   0.00000  1.0 1.0
   46    41    44    49   0.09850  1.0 1.0
   46    41    44    49   0.15250 -1.0 2.0
   46    41    44    49  -0.50650  1.0 3.0
   46    41    44    52   0.09850  1.0 1.0
   46    41    44    52   0.15250 -1.0 2.0
   46    41    44    52  -0.50650  1.0 3.0
   42    40    41    44   1.08500 -1.0 2.0
   42    40    41    46   0.50950  1.0 1.0
   42    40    41    46   0.56650 -1.0 2.0
   42    40    41    46   0.34050  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   40    44    41    46   1.10000 -1.0 2.0
   53    60    59    62   1.10000 -1.0 2.0
   59    65    60    61  10.50000 -1.0 2.0
   63    64    62    59   1.10000 -1.0 2.0
   47    48    46    41   1.10000 -1.0 2.0
END
