* LIGAND DATABASE FILE (OPLS2005)
*
001      75    79    140    241     424
    1     0 S   NP   _N1_     1    29.01166    95.03063   -25.62864
    2     1 S   H    _HN1     2     1.02793   120.18373   -96.17088
    3     1 S   H    _H1_     3     1.02947    77.87952     8.18640
    4     1 S   H    _H2_     4     1.02828    29.27653  -168.05054
    5     1 S   CT   _CA1     5     1.50121   120.90961   114.88483
    6     5 S   HC   _HA1     6     1.09575   105.16727    89.92724
    7     5 S   CO3  _C1_     7     1.53764   112.45552   -30.28482
    8     7 S   O2Z  _O11     8     1.26374   115.00676   -42.93711
    9     7 S   O2Z  _O12     9     1.26234   114.93407   136.08753
   10     5 S   CT   _CB1    10     1.53060   107.40679  -152.11646
   11    10 S   HC   HB11    11     1.09841   109.31606   -49.54815
   12    10 S   HC   HB12    12     1.09811   110.48034    67.03696
   13    10 S   CT   _CG1    13     1.53023   112.64980  -170.49159
   14    13 S   HC   HG11    14     1.09571   110.72460   -67.30456
   15    13 S   HC   HG12    15     1.09670   109.70933    51.95143
   16    13 S   C    _CD1    16     1.51812   111.99373   172.41693
   17    16 S   O    _OE1    17     1.22758   123.18134    11.87269
   18    16 S   N    _N2_    18     1.38647   111.83665  -168.15620
   19    18 S   H    _HN2    19     1.01580   119.00221     0.99544
   20    18 S   CT1  _CA2    20     1.46211   123.34072   176.44763
   21    20 S   HC   _HA2    21     1.09742   109.27655     6.68525
   22    20 S   C    _C2_    22     1.53653   108.85462  -108.79214
   23    22 S   O    _O2_    23     1.23080   122.23343  -148.99669
   24    20 S   CT   _CB2    32     1.53305   111.68372   128.65579
   25    24 S   HC   HB21    33     1.09537   110.07507    56.90592
   26    24 S   HC   HB22    34     1.09513   110.00982   175.94165
   27    22 S   N    _N3_    24     1.38311   113.85174    38.50891
   28    27 S   H    _HN3    25     1.01549   119.61867    -3.26776
   29    24 S   S    _SG2    35     1.82730   111.47574   -64.26902
   30    27 S   CT   _CA3    26     1.45283   123.28281   177.18047
   31    30 S   HC   HA31    27     1.09548   107.50754   -64.84441
   32    30 S   HC   HA32    28     1.09555   108.00287    51.61456
   33    29 S   CT   _C21    36     1.84899    99.59023  -174.57223
   34    33 S   HC   _H5_    37     1.09454   108.63253    38.42980
   35    30 S   CO3  _C3_    29     1.52977   114.03755   173.60800
   36    35 S   O2Z  _O31    30     1.26384   116.07543    -0.77733
   37    35 S   O2Z  _O32    31     1.26425   114.41796   179.28783
   38    33 S   CM   _C22    38     1.49915   107.51932   -75.50373
   39    38 S   HC   _H13    39     1.09090   115.21786    88.25892
   40    38 S   CMA  _C23    40     1.34943   126.30920   -94.97524
   41    40 S   OM   _O35    41     1.26627   125.00452  -176.13386
   42    40 S   CA   _C14    42     1.52224   113.48569     4.46896
   43    42 S   CR3  _C15    43     1.43373   121.13097   -24.23358
   44    43 S   CA   _C10    44     1.42246   121.78611  -171.16622
   45    33 S   CT   _C16    71     1.56174   114.83149   159.90317
   46    44 S   CA   _C11    45     1.41296   116.40325    -5.91914
   47    46 S   HA   _H8_    46     1.08714   121.46658  -176.73098
   48    44 S   CA   _C9_    52     1.43206   121.59600   172.45434
   49    45 S   OH   _O36    72     1.44528   107.25386  -168.16376
   50    49 S   HO   _H14    73     0.97308   108.46430   -78.19564
   51    46 S   CA   _C12    47     1.39008   122.71617     1.62955
   52    51 S   HA   _H9_    48     1.08658   119.72884  -179.14774
   53    48 S   CA   _C4_    53     1.41649   121.86524  -163.81795
   54    53 S   HA   _H6_    54     1.08743   121.37873     0.93733
   55    42 S   CA   _C13    49     1.41031   121.18125   158.31762
   56    53 S   CA   _C5_    55     1.39292   122.97223   178.46176
   57    56 S   HA   _H7_    56     1.08673   119.66234  -179.10387
   58    55 S   OH   _O37    50     1.37191   123.61166    -5.24045
   59    58 S   HO   _H15    51     0.97531   107.46138     5.11615
   60    56 S   CA   _C6_    57     1.38223   119.70838     0.91813
   61    60 S   CA   _C7_    58     1.40038   120.04526     0.08847
   62    60 S   OH   _O38    74     1.36805   115.67256   179.28127
   63    62 S   HO   _H16    75     0.97356   109.03774   179.19960
   64    48 S   CR3  _C8_    59     1.42087   121.63183    15.00794
   65    64 S   CT   _C17    60     1.53364   118.16715     5.66559
   66    65 S   HC   _H3_    61     1.09834   104.06510    82.58119
   67    65 S   CT   _C18    62     1.54945   110.50229  -161.67817
   68    67 S   HC   _H4_    63     1.09721   110.32731    68.75666
   69    67 S   CT   _C19    64     1.51605   110.70893   -52.86090
   70    69 S   HC   _H10    65     1.09635   111.76080   -61.59485
   71    69 S   HC   _H11    66     1.09694   109.49367  -179.68721
   72    67 S   OH   _O34    69     1.42285   111.52927  -171.08002
   73    72 S   HO   _H12    70     0.97266   107.82920  -174.87727
   74    61 S   CO4  _C20    67     1.48748   119.35738   176.57697
   75    74 S   O    _O33    68     1.22802   121.18002     7.39515
  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
  15   7   2   1   1   9   4   8   3  12  15  14  13   8   4  12
   5   1   4   2   8   4   2   7   3   1   1   8  11   3   1   8
   9   4   8   6   6   4   3   2   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    45    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    65    45    49  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    64    65    66    67    45    49    50  
   38    39    40    43    65    45    49  
   36    37  
   37  
    0  
   39    40    41    42    43    55    65    45    49  
   40    41    42    45  
   41    42    43    44    51    55    58    45  
   42    43    55  
   43    44    46    51    52    55    58    59    48    65    45    49  
   44    46    47    51    55    58    48    53    64    65    66    67    45    49    50  
   46    47    51    52    55    48    53    54    56    61    64    65    45    49  
   49    50    46    48    55    61    64    65    66    67    68    69    72  
   47    51    52    55    58    48    53    64  
   51    52    55    48  
   53    54    56    57    60    61    64    65    66    67    74    51  
   50    64    65    66    67  
   65  
   52    55    58    59  
   55    58  
   54    56    57    60    61    64    65    62  
   56    57    60    64  
   58    59  
   57    60    61    64    74    62    63  
   60    61    62  
   59  
    0  
   61    64    65    69    74    75    62    63  
   64    65    66    67    69    70    71    74    75    62    63  
   63    64    74  
    0  
   65    66    67    68    69    74    75    72  
   66    67    68    69    70    71    74    72    73  
   67    68    69    72  
   68    69    70    71    74    75    72    73  
   69    70    71    74    72    73  
   70    71    74    75    72    73  
   71    74    75    72  
   74    75    72  
   73    74  
    0  
   75  
    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  -0.716200   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   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0700   0.000000   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   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660   0.380000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   52   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   75   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   340.000  1.090
   33    38   317.000  1.510
   33    45   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   320.000  1.460
   42    43   490.000  1.398
   42    55   469.000  1.400
   43    44   490.000  1.398
   43    45   317.000  1.510
   44    46   469.000  1.400
   44    48   375.000  1.464
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    52   367.000  1.080
   51    55   469.000  1.400
   55    58   450.000  1.364
   58    59   553.000  0.945
   48    53   469.000  1.400
   48    64   490.000  1.398
   53    54   367.000  1.080
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    61   469.000  1.400
   60    62   450.000  1.364
   61    64   490.000  1.398
   61    74   310.000  1.470
   64    65   317.000  1.510
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    45   268.000  1.529
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    72   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    74   317.000  1.522
   74    75   570.000  1.229
   72    73   553.000  0.945
   45    49   320.000  1.410
   49    50   553.000  0.945
   62    63   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    45    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    45    43    70.00000  112.17500
   33    45    65    58.35000  112.70000
   33    45    49    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    60.00000  123.20500
   40    38    39    40.00000  120.50800
   40    42    43    60.00000  120.93500
   40    42    55    60.00000  120.93500
   42    40    41    85.00000  114.86500
   42    43    44    60.00000  130.80000
   42    43    45    70.00000  120.00000
   42    55    51    63.00000  120.00000
   42    55    58    70.00000  120.00000
   43    44    46    70.00000  112.88000
   43    44    48    60.00000  122.76000
   43    45    65    70.00000  112.17500
   43    45    49    90.00000  112.51600
   44    46    47    35.00000  120.00000
   44    46    51    63.00000  120.00000
   44    48    53    60.00000  122.76000
   44    48    64    60.00000  122.76000
   46    51    52    35.00000  120.00000
   46    51    55    63.00000  120.00000
   51    46    47    35.00000  120.00000
   51    55    58    70.00000  120.00000
   55    42    43    70.00000  112.88000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  113.00000
   48    44    46    60.00000  122.76000
   48    53    54    35.00000  120.00000
   48    53    56    63.00000  120.00000
   48    64    61    60.00000  130.80000
   48    64    65    70.00000  120.00000
   53    56    57    35.00000  120.00000
   53    56    60    63.00000  120.00000
   56    53    54    35.00000  120.00000
   56    60    61    63.00000  120.00000
   56    60    62    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    61    64    70.00000  112.88000
   60    61    74    60.00000  119.52600
   60    62    63    35.00000  113.00000
   61    64    65    70.00000  120.00000
   61    74    69    65.00000  115.47100
   61    74    75    75.00000  123.78400
   64    48    53    70.00000  112.88000
   64    65    66    35.00000  109.50000
   64    65    67    70.00000  112.17500
   64    65    45    70.00000  112.17500
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    72    50.00000  109.50000
   65    45    49    50.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    71    37.50000  110.70000
   67    69    74    63.00000  111.10000
   67    72    73    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    74    75    80.00000  120.40000
   71    69    70    33.00000  107.80000
   74    61    64    60.00000  119.52600
   74    69    70    35.00000  109.50000
   74    69    71    35.00000  109.50000
   72    67    68    35.00000  109.50000
   72    67    69    50.00000  109.50000
   45    33    34    37.50000  110.70000
   45    33    38    70.00000  112.02700
   45    43    44    70.00000  120.00000
   45    65    66    37.50000  110.70000
   45    65    67    58.35000  112.70000
   45    49    50    55.00000  108.50000
   62    60    61    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  -0.62250  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    45   0.01700  1.0 1.0
   24    29    33    45  -0.23550 -1.0 2.0
   24    29    33    45   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    45    43   0.56750  1.0 1.0
   29    33    45    43  -0.07550 -1.0 2.0
   29    33    45    43   0.20000  1.0 3.0
   29    33    45    65   0.44750  1.0 1.0
   29    33    45    65  -0.17800 -1.0 2.0
   29    33    45    65   0.20200  1.0 3.0
   29    33    45    49   0.56750  1.0 1.0
   29    33    45    49  -0.07550 -1.0 2.0
   29    33    45    49   0.20000  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    45    49    50  -0.11600  1.0 1.0
   33    45    49    50  -0.09450 -1.0 2.0
   33    45    49    50   0.21250  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    45    43   0.43200  1.0 3.0
   34    33    45    65   0.15000  1.0 3.0
   34    33    45    49   0.23400  1.0 3.0
   38    33    45    43   0.21200  1.0 1.0
   38    33    45    43   0.16900 -1.0 2.0
   38    33    45    43  -1.15100  1.0 3.0
   38    33    45    65   0.34400  1.0 1.0
   38    33    45    65   0.09450 -1.0 2.0
   38    33    45    65   0.11100  1.0 3.0
   38    33    45    49   1.05650  1.0 1.0
   38    33    45    49   0.15600 -1.0 2.0
   38    33    45    49   0.53150  1.0 3.0
   38    40   -42    43   0.15800  1.0 1.0
   38    40   -42    43   1.85350 -1.0 2.0
   38    40   -42    43  -0.48700  1.0 3.0
   38    40    42    55   0.15800  1.0 1.0
   38    40    42    55   1.85350 -1.0 2.0
   38    40    42    55  -0.48700  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    42    43    44   3.62500 -1.0 2.0
   40    42    43    45   3.62500 -1.0 2.0
   40    42    55    51   3.62500 -1.0 2.0
   40    42    55    58   3.62500 -1.0 2.0
   41    40    42    43  -0.01750  1.0 1.0
   41    40    42    43  -0.32000 -1.0 2.0
   41    40    42    43   0.00600  1.0 3.0
   41    40    42    55  -0.01750  1.0 1.0
   41    40    42    55  -0.32000 -1.0 2.0
   41    40    42    55   0.00600  1.0 3.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    44    48   3.62500 -1.0 2.0
   42    43   -45    33   0.04150 -1.0 2.0
   42    43    45    65   0.04150 -1.0 2.0
   42    43    45    49   0.14300 -1.0 2.0
   42    43    45    49   0.00300  1.0 3.0
   42    55    58    59   0.84100 -1.0 2.0
   43    42    55    51   3.62500 -1.0 2.0
   43    42    55    58   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44   -46    51   3.62500 -1.0 2.0
   43    44    48    53  -0.19450  1.0 1.0
   43    44    48    53   0.63300 -1.0 2.0
   43    44    48    53   0.07450  1.0 3.0
   43    44    48    64  -0.19450  1.0 1.0
   43    44    48    64   0.63300 -1.0 2.0
   43    44    48    64   0.07450  1.0 3.0
   43    45    49    50   0.31900  1.0 1.0
   43    45    49    50  -0.11800 -1.0 2.0
   43    45    49    50   0.38750  1.0 3.0
   44    43    45    33   0.04150 -1.0 2.0
   44    43    45    65   0.04150 -1.0 2.0
   44    43    45    49   0.14300 -1.0 2.0
   44    43    45    49   0.00300  1.0 3.0
   44    46    51    52   3.62500 -1.0 2.0
   44    46    51    55   3.62500 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    56   3.62500 -1.0 2.0
   44    48    64    61   3.62500 -1.0 2.0
   44    48   -64    65   3.62500 -1.0 2.0
   46    44    48    53  -0.19450  1.0 1.0
   46    44    48    53   0.63300 -1.0 2.0
   46    44    48    53   0.07450  1.0 3.0
   46    44    48    64  -0.19450  1.0 1.0
   46    44    48    64   0.63300 -1.0 2.0
   46    44    48    64   0.07450  1.0 3.0
   46    51   -55    42   3.62500 -1.0 2.0
   46    51    55    58   3.62500 -1.0 2.0
   47    46    51    52   3.62500 -1.0 2.0
   47    46    51    55   3.62500 -1.0 2.0
   51    55    58    59   0.84100 -1.0 2.0
   52    51    55    42   3.62500 -1.0 2.0
   52    51    55    58   3.62500 -1.0 2.0
   55    42   -43    44   3.62500 -1.0 2.0
   55    42    43    45   3.62500 -1.0 2.0
   48    44    46    47   3.62500 -1.0 2.0
   48    44    46    51   3.62500 -1.0 2.0
   48    53    56    57   3.62500 -1.0 2.0
   48    53    56    60   3.62500 -1.0 2.0
   48    64    65    66   0.00000  1.0 1.0
   48    64    65    67   0.04150 -1.0 2.0
   48    64    65    45   0.04150 -1.0 2.0
   53    48    64    61   3.62500 -1.0 2.0
   53    48    64    65   3.62500 -1.0 2.0
   53    56   -60    61   3.62500 -1.0 2.0
   53    56    60    62   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    60   3.62500 -1.0 2.0
   56    60    61    64   3.62500 -1.0 2.0
   56    60    61    74   3.62500 -1.0 2.0
   56    60    62    63   0.84100 -1.0 2.0
   57    56    60    61   3.62500 -1.0 2.0
   57    56    60    62   3.62500 -1.0 2.0
   60    61   -64    48   3.62500 -1.0 2.0
   60    61    64    65   3.62500 -1.0 2.0
   60    61    74    69   2.26350  1.0 1.0
   60    61    74    69   0.76750 -1.0 2.0
   60    61    74    69   0.22500  1.0 3.0
   60    61    74    75   1.05000 -1.0 2.0
   61    60    62    63   0.84100 -1.0 2.0
   61    64    65    66   0.00000  1.0 1.0
   61    64    65    67   0.04150 -1.0 2.0
   61    64    65    45   0.04150 -1.0 2.0
   64    48    53    54   3.62500 -1.0 2.0
   64    48   -53    56   3.62500 -1.0 2.0
   64    61    74    69   2.26350  1.0 1.0
   64    61    74    69   0.76750 -1.0 2.0
   64    61    74    69   0.22500  1.0 3.0
   64    61    74    75   1.05000 -1.0 2.0
   64    65    67    68   0.43200  1.0 3.0
   64    65   -67    69  -0.03700  1.0 1.0
   64    65   -67    69   0.37200 -1.0 2.0
   64    65   -67    69  -0.47300  1.0 3.0
   64    65    67    72   1.13150  1.0 1.0
   64    65    67    72  -1.01400 -1.0 2.0
   64    65    45    33  -0.03700  1.0 1.0
   64    65    45    33   0.37200 -1.0 2.0
   64    65    45    33  -0.47300  1.0 3.0
   64    65   -45    43  -0.94300  1.0 1.0
   64    65   -45    43   1.32550 -1.0 2.0
   64    65   -45    43  -0.07100  1.0 3.0
   64    65    45    49   1.13150  1.0 1.0
   64    65    45    49  -1.01400 -1.0 2.0
   65    67    69    70   0.15000  1.0 3.0
   65    67    69    71   0.15000  1.0 3.0
   65    67    69    74  -0.95700  1.0 1.0
   65    67    69    74  -0.18200 -1.0 2.0
   65    67    69    74   0.29450  1.0 3.0
   65    67    72    73  -0.11600  1.0 1.0
   65    67    72    73  -0.09450 -1.0 2.0
   65    67    72    73   0.21250  1.0 3.0
   65    45    49    50  -0.11600  1.0 1.0
   65    45    49    50  -0.09450 -1.0 2.0
   65    45    49    50   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    72   0.23400  1.0 3.0
   66    65    45    33   0.15000  1.0 3.0
   66    65    45    43   0.43200  1.0 3.0
   66    65    45    49   0.23400  1.0 3.0
   67    65    45    33   0.56750  1.0 1.0
   67    65    45    33  -0.07550 -1.0 2.0
   67    65    45    33   0.20000  1.0 3.0
   67    65    45    43  -0.03700  1.0 1.0
   67    65    45    43   0.37200 -1.0 2.0
   67    65    45    43  -0.47300  1.0 3.0
   67    65    45    49   0.86500  1.0 1.0
   67    65    45    49  -0.17500 -1.0 2.0
   67    65    45    49   0.20800  1.0 3.0
   67    69   -74    61   0.05850 -1.0 2.0
   67    69   -74    61   0.17250  1.0 3.0
   67    69    74    75   0.30150 -1.0 2.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    71   0.15000  1.0 3.0
   68    67    69    74  -0.11250  1.0 3.0
   68    67    72    73   0.19450  1.0 3.0
   69    67    72    73  -0.11600  1.0 1.0
   69    67    72    73  -0.09450 -1.0 2.0
   69    67    72    73   0.21250  1.0 3.0
   70    69    74    61   0.00000  1.0 1.0
   70    69    74    75   0.00000  1.0 1.0
   71    69    74    61   0.00000  1.0 1.0
   71    69    74    75   0.00000  1.0 1.0
   74    61    64    48   3.62500 -1.0 2.0
   74    61   -64    65   3.62500 -1.0 2.0
   72    67    69    70   0.23400  1.0 3.0
   72    67    69    71   0.23400  1.0 3.0
   72    67    69    74  -0.09450  1.0 1.0
   72    67    69    74  -1.12950 -1.0 2.0
   72    67    69    74   0.54000  1.0 3.0
   45    33    38    39   0.00000  1.0 1.0
   45    33   -38    40   0.09850  1.0 1.0
   45    33   -38    40   0.15250 -1.0 2.0
   45    33   -38    40  -0.50650  1.0 3.0
   45    43    44    46   3.62500 -1.0 2.0
   45    43   -44    48   3.62500 -1.0 2.0
   45    65    67    68   0.15000  1.0 3.0
   45    65    67    69   0.56750  1.0 1.0
   45    65    67    69  -0.07550 -1.0 2.0
   45    65    67    69   0.20000  1.0 3.0
   45    65    67    72   0.86500  1.0 1.0
   45    65    67    72  -0.17500 -1.0 2.0
   45    65    67    72   0.20800  1.0 3.0
   62    60    61    64   3.62500 -1.0 2.0
   62    60    61    74   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    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   43    55    42    40   4.00000 -1.0 2.0
   44    45    43    42   4.00000 -1.0 2.0
   46    48    44    43   4.00000 -1.0 2.0
   51    47    46    44   1.10000 -1.0 2.0
   55    52    51    46   1.10000 -1.0 2.0
   51    58    55    42   4.00000 -1.0 2.0
   53    64    48    44   4.00000 -1.0 2.0
   56    54    53    48   1.10000 -1.0 2.0
   60    57    56    53   1.10000 -1.0 2.0
   61    62    60    56   4.00000 -1.0 2.0
   64    74    61    60   4.00000 -1.0 2.0
   61    65    64    48   4.00000 -1.0 2.0
   61    69    74    75  10.50000 -1.0 2.0
END
