* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    131    221     393
    1     0 S   NP   _N1_     1    28.54714    94.83785   -26.78524
    2     1 S   H    _HN1     2     1.02957    77.42975    13.78501
    3     1 S   H    _H1_     3     1.02836    30.38571  -153.23889
    4     1 S   H    _H2_     4     1.02778   124.90242   -89.94530
    5     1 S   CT   _CA1     5     1.50135   116.41942   120.51841
    6     5 S   HC   _HA1     6     1.09577   105.20249    91.85374
    7     5 S   CO3  _C1_     7     1.53770   112.33918   -28.30499
    8     7 S   O2Z  _O11     8     1.26364   114.99626   -44.49020
    9     7 S   O2Z  _O12     9     1.26234   114.92361   134.53898
   10     5 S   CT   _CB1    10     1.53088   107.41275  -150.27599
   11    10 S   HC   HB11    11     1.09829   109.28050   -50.65460
   12    10 S   HC   HB12    12     1.09815   110.45395    65.88170
   13    10 S   CT   _CG1    13     1.53032   112.69611  -171.72403
   14    13 S   HC   HG11    14     1.09591   110.51110   -65.24387
   15    13 S   HC   HG12    15     1.09660   109.89484    53.96580
   16    13 S   C    _CD1    16     1.51855   112.26637   174.29862
   17    16 S   O    _OE1    17     1.22765   123.24743     1.76525
   18    16 S   N    _N2_    18     1.38561   111.76601  -178.17072
   19    18 S   H    _HN2    19     1.01561   119.05444     3.96556
   20    18 S   CT1  _CA2    20     1.45704   122.81339   177.38873
   21    20 S   HC   _HA2    21     1.09797   108.70301    24.71220
   22    20 S   C    _C2_    22     1.53009   107.94152   -91.49834
   23    22 S   O    _O2_    23     1.22918   123.22263   -25.31924
   24    20 S   CT   _CB2    32     1.53301   112.15229   147.87084
   25    24 S   HC   HB21    33     1.09557   111.06539    43.21722
   26    24 S   HC   HB22    34     1.09131   109.21423   161.74696
   27    22 S   N    _N3_    24     1.38724   112.19901   157.18721
   28    27 S   H    _HN3    25     1.01635   120.13959    -2.16139
   29    24 S   S    _SG2    35     1.83288   110.00443   -77.25086
   30    27 S   CT   _CA3    26     1.45316   122.74087   178.23630
   31    30 S   HC   HA31    27     1.09563   107.84608   -54.29452
   32    30 S   HC   HA32    28     1.09558   107.52377    61.99608
   33    29 S   CT   _C11    36     1.88987   101.94975  -156.69306
   34    33 S   OM   _O40    37     1.31621   107.71408   -68.23526
   35    30 S   CO3  _C3_    29     1.52997   114.41858  -176.23132
   36    35 S   O2Z  _O31    30     1.26392   116.24802     1.22972
   37    35 S   O2Z  _O32    31     1.26437   114.38034  -178.80548
   38    33 S   CO4  _C10    38     1.52102   106.95974    52.94555
   39    38 S   O    _O33    39     1.22880   125.26419  -111.96939
   40    33 S   CT   _C12    50     1.56928   108.05357   171.23124
   41    40 S   HC   _H3_    51     1.09324   104.70098    36.53570
   42    38 S   CA   _C9_    40     1.47835   116.10481    65.89362
   43    40 S   CA   _C14    52     1.54756   116.81133   155.35565
   44    42 S   CA   _C4_    41     1.40008   118.44699  -147.57099
   45    44 S   HA   _H4_    42     1.08679   120.57579    -1.21402
   46    43 S   CA   _C19    53     1.42298   122.40600  -107.62242
   47    44 S   CA   _C5_    43     1.39028   119.30764   177.29991
   48    46 S   CA   _C18    54     1.40545   120.58751   170.41770
   49    47 S   CA   _C6_    44     1.39062   120.65948     1.54674
   50    49 S   HA   _H5_    45     1.08678   120.11863   179.56569
   51    48 S   CA   _C17    55     1.39858   120.10519     4.75019
   52    48 S   CO4  _C23    63     1.47533   119.18843  -173.37469
   53    52 S   O    _O36    64     1.22500   122.10846  -169.09523
   54    47 S   OH   _O42    73     1.36622   120.92839  -177.70015
   55    54 S   HO   _H11    74     0.97745   108.61907    13.03698
   56    49 S   CA   _C7_    46     1.39740   119.64292    -1.25351
   57    51 S   CA   _C16    56     1.38761   120.19079    -0.75847
   58    57 S   HA   _H6_    57     1.08692   119.61044   179.09388
   59    51 S   OH   _O38    61     1.36853   123.69637   179.23306
   60    59 S   HO   _H8_    62     0.97388   108.89237    -1.69777
   61    52 S   CM   _C22    65     1.47378   117.19009    14.11859
   62    61 S   HC   _H7_    66     1.08711   115.51949   162.39531
   63    42 S   CA   _C8_    47     1.39864   120.34987    30.19388
   64    43 S   CA   _C15    58     1.41140   120.38382    68.44334
   65    61 S   CMA  _C21    67     1.34253   124.05699   -18.83496
   66    65 S   OM   _O37    68     1.26160   129.68151  -179.16467
   67    56 S   OH   _O41    71     1.36963   115.81800  -179.50742
   68    67 S   HO   _H10    72     0.97415   108.71154  -178.37153
   69    63 S   CO4  _C13    48     1.48942   119.99781     2.47654
   70    69 S   O    _O34    49     1.23105   119.07808   168.25652
   71    64 S   OH   _O39    59     1.36906   120.07432     7.46650
   72    71 S   HO   _H9_    60     0.97197   109.32406  -175.66099
   73    46 S   CO4  _C20    69     1.48913   122.93111   -14.47502
   74    73 S   O    _O35    70     1.22823   120.06794   -33.90530
  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
  13   7   2   1   1  11   4  13   6  10  15   9   4  14   7  13
   8   4  10   8   3   2   1   5   6   3   2   1   5   3   4   4
   3   2   2   1   1   1   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    69    40    41    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    44    63    69    70    40    41    43    46    64  
   38    39    42    69    40    41    43  
   36    37  
   37  
    0  
   39    42    44    45    47    56    63    69    40    41    43  
   42    44    63    40  
   41    43    46    48    57    64    71    73    42    56    63    69    70  
   43    46    64    63    69    70  
   44    45    47    49    56    63    69    70    67    54  
   46    48    51    57    58    64    71    72    52    65    73    74    63    69    70  
   45    47    49    50    56    63    69    54    55  
   47    49    63    54  
   48    51    57    64    71    59    52    53    61    65    66    73    74    69  
   49    50    56    63    67    54    55  
   51    57    58    64    59    60    52    53    61    62    65    73    74  
   50    56    63    69    67    68    54    55  
   56    63    67    54  
   57    58    64    71    59    60    52    53    61    73  
   53    61    62    65    66    73    57    59  
   61    62    65  
   55    56  
    0  
   63    69    70    67    68  
   58    64    71    72    59    60  
   64    71    59  
   60    64  
    0  
   62    65    66    73    74  
   65    66    73  
   69    70    67    68  
   71    72    73    69  
   66    73    74  
   73    74  
   68    69  
    0  
   70  
    0  
   72  
    0  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   50   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   66   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   570.000  1.307
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    42   310.000  1.470
   42    44   469.000  1.400
   42    63   469.000  1.400
   44    45   367.000  1.080
   44    47   469.000  1.400
   47    49   469.000  1.400
   47    54   450.000  1.364
   49    50   367.000  1.080
   49    56   469.000  1.400
   56    63   469.000  1.400
   56    67   450.000  1.364
   63    69   310.000  1.470
   69    70   570.000  1.229
   69    40   317.000  1.522
   40    41   340.000  1.090
   40    43   317.000  1.510
   43    46   469.000  1.400
   43    64   469.000  1.400
   46    48   469.000  1.400
   46    73   310.000  1.470
   48    51   469.000  1.400
   48    52   310.000  1.470
   51    57   469.000  1.400
   51    59   450.000  1.364
   57    58   367.000  1.080
   57    64   469.000  1.400
   64    71   450.000  1.364
   71    72   553.000  0.945
   59    60   553.000  0.945
   52    53   570.000  1.229
   52    61   320.000  1.462
   61    62   340.000  1.080
   61    65   465.000  1.376
   65    66   745.000  1.250
   65    73   270.000  1.476
   73    74   570.000  1.229
   67    68   553.000  0.945
   54    55   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    85.00000  114.68000
   29    33    38    75.00000  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    42    65.00000  115.47100
   33    40    69    63.00000  111.10000
   33    40    41    37.50000  110.70000
   33    40    43    70.00000  112.17500
   38    33    34    90.00000  108.74100
   38    42    44    60.00000  119.52600
   38    42    63    60.00000  119.52600
   42    38    39    75.00000  123.78400
   42    44    45    35.00000  120.00000
   42    44    47    63.00000  120.00000
   42    63    56    63.00000  120.00000
   42    63    69    60.00000  119.52600
   44    47    49    63.00000  120.00000
   44    47    54    70.00000  120.00000
   47    44    45    35.00000  120.00000
   47    49    50    35.00000  120.00000
   47    49    56    63.00000  120.00000
   47    54    55    35.00000  113.00000
   49    56    63    63.00000  120.00000
   49    56    67    70.00000  120.00000
   56    49    50    35.00000  120.00000
   56    63    69    60.00000  119.52600
   56    67    68    35.00000  113.00000
   63    42    44    63.00000  120.00000
   63    69    70    75.00000  123.78400
   63    69    40    65.00000  115.47100
   69    40    41    35.00000  109.50000
   69    40    43    70.00000  110.93000
   40    33    34    50.00000  109.50000
   40    33    38    63.00000  111.10000
   40    69    70    80.00000  120.40000
   40    43    46    70.00000  120.00000
   40    43    64    70.00000  120.00000
   43    40    41    35.00000  109.50000
   43    46    48    63.00000  120.00000
   43    46    73    60.00000  119.52600
   43    64    57    63.00000  120.00000
   43    64    71    70.00000  120.00000
   46    48    51    63.00000  120.00000
   46    48    52    60.00000  119.52600
   46    73    65    60.00000  117.44000
   46    73    74    75.00000  123.78400
   48    51    57    63.00000  120.00000
   48    51    59    70.00000  120.00000
   48    52    53    75.00000  123.78400
   48    52    61    65.00000  117.02400
   51    57    58    35.00000  120.00000
   51    57    64    63.00000  120.00000
   51    59    60    35.00000  113.00000
   57    64    71    70.00000  120.00000
   64    43    46    63.00000  120.00000
   64    57    58    35.00000  120.00000
   64    71    72    35.00000  113.00000
   59    51    57    70.00000  120.00000
   52    48    51    60.00000  119.52600
   52    61    62    40.00000  117.72500
   52    61    65    60.00000  125.92000
   61    52    53    80.00000  123.72100
   61    65    66    65.00000  137.10300
   61    65    73    65.00000  114.61000
   65    61    62    40.00000  120.50800
   65    73    74    80.00000  120.81000
   73    46    48    60.00000  119.52600
   73    65    66    85.00000  116.28000
   67    56    63    70.00000  120.00000
   54    47    49    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.65300  1.0 1.0
   29    33    38    42  -0.03850 -1.0 2.0
   29    33    38    42   0.33900  1.0 3.0
   29    33    40    69   0.56750  1.0 1.0
   29    33    40    69  -0.07550 -1.0 2.0
   29    33    40    69   0.20000  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    43   0.56750  1.0 1.0
   29    33    40    43  -0.07550 -1.0 2.0
   29    33    40    43   0.20000  1.0 3.0
   33    38    42    44   2.26350  1.0 1.0
   33    38    42    44   0.76750 -1.0 2.0
   33    38    42    44   0.22500  1.0 3.0
   33    38    42    63   2.26350  1.0 1.0
   33    38    42    63   0.76750 -1.0 2.0
   33    38    42    63   0.22500  1.0 3.0
   33    40    43    46   0.04150 -1.0 2.0
   33    40    43    64   0.04150 -1.0 2.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    42   0.65300  1.0 1.0
   34    33    38    42  -0.03850 -1.0 2.0
   34    33    38    42   0.33900  1.0 3.0
   34    33    40    69  -0.09450  1.0 1.0
   34    33    40    69  -1.12950 -1.0 2.0
   34    33    40    69   0.54000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    43  -0.64350  1.0 1.0
   34    33    40    43  -0.04200 -1.0 2.0
   34    33    40    43   0.19800  1.0 3.0
   38    33    40    69   0.11950  1.0 1.0
   38    33    40    69   0.20300 -1.0 2.0
   38    33    40    69  -0.70800  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    43   0.56750  1.0 1.0
   38    33    40    43  -0.07550 -1.0 2.0
   38    33    40    43   0.20000  1.0 3.0
   38    42    44    45   3.62500 -1.0 2.0
   38    42    44    47   3.62500 -1.0 2.0
   38    42    63    56   3.62500 -1.0 2.0
   38    42   -63    69   3.62500 -1.0 2.0
   39    38    42    44   1.05000 -1.0 2.0
   39    38    42    63   1.05000 -1.0 2.0
   42    44    47    49   3.62500 -1.0 2.0
   42    44    47    54   3.62500 -1.0 2.0
   42    63    69    70   1.05000 -1.0 2.0
   42    63    69    40   2.26350  1.0 1.0
   42    63    69    40   0.76750 -1.0 2.0
   42    63    69    40   0.22500  1.0 3.0
   44    42    63    56   3.62500 -1.0 2.0
   44    42    63    69   3.62500 -1.0 2.0
   44    47    49    50   3.62500 -1.0 2.0
   44    47   -49    56   3.62500 -1.0 2.0
   44    47    54    55   0.84100 -1.0 2.0
   45    44    47    49   3.62500 -1.0 2.0
   45    44    47    54   3.62500 -1.0 2.0
   47    49    56    63   3.62500 -1.0 2.0
   47    49    56    67   3.62500 -1.0 2.0
   49    47    54    55   0.84100 -1.0 2.0
   49    56   -63    42   3.62500 -1.0 2.0
   49    56    63    69   3.62500 -1.0 2.0
   49    56    67    68   0.84100 -1.0 2.0
   50    49    56    63   3.62500 -1.0 2.0
   50    49    56    67   3.62500 -1.0 2.0
   56    63    69    70   1.05000 -1.0 2.0
   56    63    69    40   2.26350  1.0 1.0
   56    63    69    40   0.76750 -1.0 2.0
   56    63    69    40   0.22500  1.0 3.0
   63    42    44    45   3.62500 -1.0 2.0
   63    42   -44    47   3.62500 -1.0 2.0
   63    56    67    68   0.84100 -1.0 2.0
   63    69   -40    33   0.05850 -1.0 2.0
   63    69   -40    33   0.17250  1.0 3.0
   63    69    40    41   0.00000  1.0 1.0
   63    69    40    43   0.65300  1.0 1.0
   63    69    40    43  -0.03850 -1.0 2.0
   63    69    40    43   0.33900  1.0 3.0
   69    40    43    46   0.04300 -1.0 2.0
   69    40    43    64   0.04300 -1.0 2.0
   70    69    40    33   0.30150 -1.0 2.0
   70    69    40    41   0.00000  1.0 1.0
   70    69    40    43   0.30150 -1.0 2.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    42   0.05850 -1.0 2.0
   40    33   -38    42   0.17250  1.0 3.0
   40    43    46    48   3.62500 -1.0 2.0
   40    43    46    73   3.62500 -1.0 2.0
   40    43    64    57   3.62500 -1.0 2.0
   40    43    64    71   3.62500 -1.0 2.0
   41    40    43    46   0.00000  1.0 1.0
   41    40    43    64   0.00000  1.0 1.0
   43    46    48    51   3.62500 -1.0 2.0
   43    46    48    52   3.62500 -1.0 2.0
   43    46    73    65  -0.11500  1.0 1.0
   43    46    73    65   1.10450 -1.0 2.0
   43    46    73    65  -0.48050  1.0 3.0
   43    46    73    74   1.05000 -1.0 2.0
   43    64    71    72   0.84100 -1.0 2.0
   46    43    64    57   3.62500 -1.0 2.0
   46    43    64    71   3.62500 -1.0 2.0
   46    48   -51    57   3.62500 -1.0 2.0
   46    48    51    59   3.62500 -1.0 2.0
   46    48    52    53   1.05000 -1.0 2.0
   46    48    52    61  -0.11500  1.0 1.0
   46    48    52    61   1.10450 -1.0 2.0
   46    48    52    61  -0.48050  1.0 3.0
   48    46    73    65  -0.11500  1.0 1.0
   48    46    73    65   1.10450 -1.0 2.0
   48    46    73    65  -0.48050  1.0 3.0
   48    46    73    74   1.05000 -1.0 2.0
   48    51    57    58   3.62500 -1.0 2.0
   48    51    57    64   3.62500 -1.0 2.0
   48    51    59    60   0.84100 -1.0 2.0
   48    52    61    62   1.64500 -1.0 2.0
   48    52   -61    65  -1.65800  1.0 1.0
   48    52   -61    65   0.77650 -1.0 2.0
   51    48    52    53   1.05000 -1.0 2.0
   51    48    52    61  -0.11500  1.0 1.0
   51    48    52    61   1.10450 -1.0 2.0
   51    48    52    61  -0.48050  1.0 3.0
   51    57   -64    43   3.62500 -1.0 2.0
   51    57    64    71   3.62500 -1.0 2.0
   57    51    59    60   0.84100 -1.0 2.0
   57    64    71    72   0.84100 -1.0 2.0
   58    57    64    43   3.62500 -1.0 2.0
   58    57    64    71   3.62500 -1.0 2.0
   64    43   -46    48   3.62500 -1.0 2.0
   64    43    46    73   3.62500 -1.0 2.0
   59    51    57    58   3.62500 -1.0 2.0
   59    51    57    64   3.62500 -1.0 2.0
   52    48    51    57   3.62500 -1.0 2.0
   52    48    51    59   3.62500 -1.0 2.0
   52    61    65    66   7.00000 -1.0 2.0
   52    61    65    73   7.00000 -1.0 2.0
   53    52    61    62   0.00000  1.0 1.0
   53    52    61    65   1.00000 -1.0 2.0
   61    65   -73    46  -1.65800  1.0 1.0
   61    65   -73    46   0.77650 -1.0 2.0
   61    65    73    74   1.00000 -1.0 2.0
   62    61    65    66   7.00000 -1.0 2.0
   62    61    65    73   7.00000 -1.0 2.0
   66    65    73    46   1.50000 -1.0 2.0
   66    65    73    74  -0.11900  1.0 1.0
   66    65    73    74   0.76850 -1.0 2.0
   66    65    73    74   0.14100  1.0 3.0
   73    46    48    51   3.62500 -1.0 2.0
   73    46   -48    52   3.62500 -1.0 2.0
   67    56    63    42   3.62500 -1.0 2.0
   67    56    63    69   3.62500 -1.0 2.0
   54    47    49    50   3.62500 -1.0 2.0
   54    47    49    56   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    42    38    39  10.50000 -1.0 2.0
   44    63    42    38   4.00000 -1.0 2.0
   47    45    44    42   1.10000 -1.0 2.0
   49    54    47    44   4.00000 -1.0 2.0
   56    50    49    47   1.10000 -1.0 2.0
   63    67    56    49   4.00000 -1.0 2.0
   56    69    63    42   4.00000 -1.0 2.0
   63    40    69    70  10.50000 -1.0 2.0
   46    64    43    40   4.00000 -1.0 2.0
   48    73    46    43   4.00000 -1.0 2.0
   51    52    48    46   4.00000 -1.0 2.0
   57    59    51    48   4.00000 -1.0 2.0
   64    58    57    51   1.10000 -1.0 2.0
   57    71    64    43   4.00000 -1.0 2.0
   48    61    52    53  10.50000 -1.0 2.0
   52    62    61    65   1.10000 -1.0 2.0
   73    66    65    61   1.10000 -1.0 2.0
   46    65    73    74  10.50000 -1.0 2.0
END
