* LIGAND DATABASE FILE (OPLS2005)
*
001      74    78    144    232     419
    1     0 S   NP   _N1_     1    28.83362    95.75080   -24.39384
    2     1 S   H    _HN1     2     1.02947    76.17542     5.06291
    3     1 S   H    _H1_     3     1.02829    31.56636   173.24640
    4     1 S   H    _H2_     4     1.02792   112.69815   -99.34370
    5     1 S   CT   _CA1     5     1.50118   129.21773   110.31947
    6     5 S   HC   _HA1     6     1.09574   105.17657    89.19252
    7     5 S   CO3  _C1_     7     1.53769   112.44080   -31.04140
    8     7 S   O2Z  _O11     8     1.26375   115.00922   -43.30307
    9     7 S   O2Z  _O12     9     1.26233   114.93607   135.73840
   10     5 S   CT   _CB1    10     1.53063   107.41358  -152.83783
   11    10 S   HC   HB11    11     1.09839   109.34832   -49.45803
   12    10 S   HC   HB12    12     1.09812   110.46993    67.13670
   13    10 S   CT   _CG1    13     1.53020   112.63165  -170.39585
   14    13 S   HC   HG11    14     1.09571   110.71894   -66.73803
   15    13 S   HC   HG12    15     1.09669   109.71989    52.51827
   16    13 S   C    _CD1    16     1.51807   112.01136   173.00804
   17    16 S   O    _OE1    17     1.22757   123.18119    11.38026
   18    16 S   N    _N2_    18     1.38651   111.82624  -168.70321
   19    18 S   H    _HN2    19     1.01579   119.01719     1.12396
   20    18 S   CT1  _CA2    20     1.46206   123.32767   176.89953
   21    20 S   HC   _HA2    21     1.09742   109.25890     6.29563
   22    20 S   C    _C2_    22     1.53642   108.88646  -109.19921
   23    22 S   O    _O2_    23     1.23081   122.22493  -149.15633
   24    20 S   CT   _CB2    32     1.53341   111.70181   128.21420
   25    24 S   HC   HB21    33     1.09525   110.02978    57.41107
   26    24 S   HC   HB22    34     1.09517   109.98129   176.43993
   27    22 S   N    _N3_    24     1.38310   113.85200    38.34732
   28    27 S   H    _HN3    25     1.01554   119.60482    -3.30221
   29    24 S   S    _SG2    35     1.82737   111.43952   -63.72890
   30    27 S   CT   _CA3    26     1.45288   123.28289   177.16193
   31    30 S   HC   HA31    27     1.09549   107.50916   -64.82193
   32    30 S   HC   HA32    28     1.09557   108.00018    51.63508
   33    29 S   CT   _C20    36     1.85078    99.84317  -173.51675
   34    33 S   HC   _H4_    37     1.09562   106.47374    41.78493
   35    30 S   CO3  _C3_    29     1.52978   114.03789   173.63136
   36    35 S   O2Z  _O31    30     1.26384   116.06896    -0.66705
   37    35 S   O2Z  _O32    31     1.26426   114.42102   179.39737
   38    33 S   CM   _C19    38     1.51391   107.24071   -74.38248
   39    38 S   HC   _H17    39     1.08839   116.99555    81.48741
   40    38 S   CMA  _C18    40     1.35001   123.80779   -99.27853
   41    40 S   OM   _O33    41     1.25896   130.93449   180.00000
   42    40 S   CM   _C17    42     1.46279   117.62043     1.42120
   43    42 S   HC   _H16    43     1.08862   119.36027   164.39073
   44    42 S   CM   _C16    44     1.34373   122.23928   -16.75292
   45    44 S   HC   _H15    45     1.08647   119.04010  -177.80233
   46    33 S   CT   _C15    46     1.57102   113.95998   161.84945
   47    46 S   CA   _C11    47     1.51496   114.57323   -47.96465
   48    46 S   CT   _C14    68     1.58459   109.72602  -157.18476
   49    48 S   HC   _H13    69     1.09625   112.75401   -37.98017
   50    48 S   HC   _H14    70     1.10165   110.16630  -157.09483
   51    47 S   CR3  _C12    48     1.39788   110.69732   -96.11268
   52    51 S   CA   _C7_    49     1.39568   123.84651  -174.92588
   53    52 S   CA   _C8_    50     1.39623   118.04257    -2.81786
   54    53 S   HA   _H12    51     1.08459   121.26500   179.10649
   55    52 S   CT   _C6_    59     1.50421   118.24472   171.10018
   56    55 S   HC   _H10    60     1.09598   109.81434   133.54617
   57    55 S   HC   _H11    61     1.09747   107.65637  -109.19352
   58    53 S   CA   _C9_    52     1.39065   117.90724     1.24270
   59    55 S   CT   _C5_    62     1.54876   113.61824    10.96331
   60    59 S   HC   _H8_    63     1.09911   109.08144    82.74704
   61    59 S   HC   _H9_    64     1.09720   107.81902  -161.65912
   62    47 S   CA   _C10    53     1.37190   132.35544    87.36795
   63    59 S   NT   _N4_    65     1.48229   112.78007   -39.78498
   64    62 S   OS   _O34    54     1.35795   127.33838    -2.27116
   65    51 S   CT   _C13    66     1.49760   112.14643     2.76654
   66    65 S   HC   _H3_    67     1.09891   108.46092    89.78288
   67    63 S   CT   _C4_    71     1.46223   110.47196  -174.65837
   68    67 S   HC   _H5_    72     1.09514   110.85023   177.37400
   69    67 S   HC   _H6_    73     1.09572   110.42476    59.70823
   70    67 S   HC   _H7_    74     1.09600   112.27773   -61.21037
   71    64 S   CO   _C21    55     1.44049   101.19320  -179.66254
   72    71 S   HC   _H18    56     1.09595   108.63973  -122.87641
   73    71 S   HC   _H19    57     1.09621   108.70742   119.00724
   74    58 S   OS   _O35    58     1.36367   125.02921   178.72068
  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
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  10
   5   4  14  14  11   4   9   5   4   6   9   4   3   6   6   4
   5   1   3   2   1   1   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    65    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    65    48    49    50  
   46    47    48  
   47    51    52    58    62    64    63    65    66    48    49    50  
   51    52    53    58    62    64    71    74    55    63    65    66    48    49    50  
   49    50    67    51    52    59    62    63    65    66  
   50    51    63    65    66  
   51    63    65    66  
   52    53    54    58    62    64    55    56    57    59    63    65    66    67  
   53    54    58    62    74    55    56    57    59    60    61    63    65    66  
   54    58    62    64    71    74    55    56    57    59    65  
   58    62    74    55  
   56    57    59    60    61    63    65    67    58  
   57    59    60    61    63  
   59    60    61    63  
   62    64    71    72    73    74  
   60    61    63    65    66    67    68    69    70  
   61    63    65    67  
   63    65    67  
   64    71    72    73    74    65  
   65    66    67    68    69    70  
   71    72    73    74  
   66    67    68    69    70  
   67  
   68    69    70  
   69    70  
   70  
    0  
   72    73    74  
   73    74  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   0.976300   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   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
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    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    65   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    74   450.000  1.364
   62    64   450.000  1.364
   64    71   320.000  1.380
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   320.000  1.380
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   382.000  1.448
   63    65   382.000  1.448
   63    67   382.000  1.448
   65    66   340.000  1.090
   65    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    65    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    65    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    64    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    65    63    75.00000  112.33000
   51    65    66    35.00000  109.50000
   51    65    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    74    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    64    70.00000  120.00000
   58    74    71   100.00000  112.36700
   62    47    51    70.00000  112.88000
   62    64    71   100.00000  112.36700
   64    71    72    35.00000  109.50000
   64    71    73    35.00000  109.50000
   64    71    74    92.60000  111.55000
   73    71    72    33.00000  109.50000
   74    58    62    70.00000  120.00000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    63    56.20000  109.47000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    63    65    51.80000  107.20000
   59    63    67    51.80000  107.20000
   61    59    60    33.00000  107.80000
   63    59    60    35.00000  109.50000
   63    59    61    35.00000  109.50000
   63    65    66    35.00000  109.50000
   63    65    48    56.20000  109.47000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   65    51    52    70.00000  120.00000
   65    48    49    37.50000  110.70000
   65    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    65    66    37.50000  110.70000
   50    48    49    33.00000  107.80000
   67    63    65    51.80000  107.20000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   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    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    65   0.56750  1.0 1.0
   33    46    48    65  -0.07550 -1.0 2.0
   33    46    48    65   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   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    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    65   0.34400  1.0 1.0
   44    46    48    65   0.09450 -1.0 2.0
   44    46    48    65   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    65   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    64   3.62500 -1.0 2.0
   47    46   -48    65  -0.03700  1.0 1.0
   47    46   -48    65   0.37200 -1.0 2.0
   47    46   -48    65  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    65    63   0.18550 -1.0 2.0
   47    51    65    63   0.14000  1.0 3.0
   47    51    65    66   0.00000  1.0 1.0
   47    51   -65    48   0.04150 -1.0 2.0
   47    62    64    71   1.63200 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    64   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    65   -48    46  -0.03700  1.0 1.0
   51    65   -48    46   0.37200 -1.0 2.0
   51    65   -48    46  -0.47300  1.0 3.0
   51    65    48    49   0.43200  1.0 3.0
   51    65    48    50   0.43200  1.0 3.0
   52    51    65    63   0.18550 -1.0 2.0
   52    51    65    63   0.14000  1.0 3.0
   52    51    65    66   0.00000  1.0 1.0
   52    51    65    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    74   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    63   0.83750  1.0 1.0
   52    55   -59    63   0.32200 -1.0 2.0
   52    55   -59    63   0.70600  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    64   3.62500 -1.0 2.0
   53    58    74    71   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    74   3.62500 -1.0 2.0
   58    62   -64    71   1.63200 -1.0 2.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    65   3.62500 -1.0 2.0
   62    58   -74    71   1.63200 -1.0 2.0
   62    64    71    72   0.08050  1.0 3.0
   62    64    71    73   0.08050  1.0 3.0
   62    64   -71    74  -0.25600  1.0 1.0
   62    64   -71    74  -0.40050 -1.0 2.0
   62    64   -71    74   0.34700  1.0 3.0
   64    71   -74    58  -0.25600  1.0 1.0
   64    71   -74    58  -0.40050 -1.0 2.0
   64    71   -74    58   0.34700  1.0 3.0
   72    71    74    58   0.08050  1.0 3.0
   73    71    74    58   0.08050  1.0 3.0
   74    58    62    47   3.62500 -1.0 2.0
   74    58   -62    64   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    63    65   0.23450  1.0 1.0
   55    59    63    65   0.02050 -1.0 2.0
   55    59    63    65   0.25250  1.0 3.0
   55    59    63    67   0.58650  1.0 1.0
   55    59    63    67   0.12600 -1.0 2.0
   55    59    63    67   0.33350  1.0 3.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    63   0.15000  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    63   0.15000  1.0 3.0
   59    63   -65    51   0.82600  1.0 1.0
   59    63   -65    51  -0.32100 -1.0 2.0
   59    63   -65    51   1.02000  1.0 3.0
   59    63    65    66   0.28000  1.0 3.0
   59    63    65    48   0.23450  1.0 1.0
   59    63    65    48   0.02050 -1.0 2.0
   59    63    65    48   0.25250  1.0 3.0
   59    63    67    68   0.28000  1.0 3.0
   59    63    67    69   0.28000  1.0 3.0
   59    63    67    70   0.28000  1.0 3.0
   60    59    63    65   0.28000  1.0 3.0
   60    59    63    67   0.28000  1.0 3.0
   61    59    63    65   0.28000  1.0 3.0
   61    59    63    67   0.28000  1.0 3.0
   63    65    48    46   1.53400  1.0 1.0
   63    65    48    46  -0.09950 -1.0 2.0
   63    65    48    46   0.05700  1.0 3.0
   63    65    48    49   0.15000  1.0 3.0
   63    65    48    50   0.15000  1.0 3.0
   65    51    52    53   3.62500 -1.0 2.0
   65    51   -52    55   3.62500 -1.0 2.0
   65    63    67    68   0.28000  1.0 3.0
   65    63    67    69   0.28000  1.0 3.0
   65    63    67    70   0.28000  1.0 3.0
   66    65    48    46   0.15000  1.0 3.0
   66    65    48    49   0.15000  1.0 3.0
   66    65    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   67    63    65    51   0.82600  1.0 1.0
   67    63    65    51  -0.32100 -1.0 2.0
   67    63    65    51   1.02000  1.0 3.0
   67    63    65    66   0.28000  1.0 3.0
   67    63    65    48   0.58650  1.0 1.0
   67    63    65    48   0.12600 -1.0 2.0
   67    63    65    48   0.33350  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
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    65    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    74    58    53   4.00000 -1.0 2.0
   58    64    62    47   4.00000 -1.0 2.0
END
