* LIGAND DATABASE FILE (OPLS2005)
*
001      73    77    144    240     430
    1     0 S   NP   _N1_     1    28.99853    92.67562   -22.73051
    2     1 S   H    _HN1     2     1.02837    18.17442   164.35386
    3     1 S   H    _H1_     3     1.02789   101.18054   -82.18967
    4     1 S   H    _H2_     4     1.02938    94.06691    27.36646
    5     1 S   CT   _CA1     5     1.50137   128.28392   147.62059
    6     5 S   HC   _HA1     6     1.09582   105.16158    64.86848
    7     5 S   CO3  _C1_     7     1.53779   112.21930   -55.15886
    8     7 S   O2Z  _O11     8     1.26436   115.13705   -47.96142
    9     7 S   O2Z  _O12     9     1.26201   114.92330   131.00522
   10     5 S   CT   _CB1    10     1.53077   107.37870  -177.43922
   11    10 S   HC   HB11    11     1.09827   109.31245   -50.49085
   12    10 S   HC   HB12    12     1.09797   110.46954    66.02815
   13    10 S   CT   _CG1    13     1.53021   112.68185  -171.53049
   14    13 S   HC   HG11    14     1.09612   110.37621   -63.91308
   15    13 S   HC   HG12    15     1.09647   110.03110    55.33324
   16    13 S   C    _CD1    16     1.51864   112.20240   175.64954
   17    16 S   O    _OE1    17     1.22761   123.20741    -1.81327
   18    16 S   N    _N2_    18     1.38660   111.73515   178.12612
   19    18 S   H    _HN2    19     1.01601   119.03010     1.30911
   20    18 S   CT1  _CA2    20     1.46401   123.37463  -177.64424
   21    20 S   HC   _HA2    21     1.09743   109.23360   -10.69174
   22    20 S   C    _C2_    22     1.53318   108.74851  -126.37370
   23    22 S   O    _O2_    23     1.23036   122.34461  -149.52844
   24    20 S   CT   _CB2    32     1.53635   111.32192   111.10155
   25    24 S   HC   HB21    33     1.09402   109.00025    57.80729
   26    24 S   HC   HB22    34     1.09484   110.70477   176.87789
   27    22 S   N    _N3_    24     1.38363   113.48512    38.12004
   28    27 S   H    _HN3    25     1.01650   119.42763    -3.95686
   29    24 S   S    _SG2    35     1.82614   110.50079   -63.22083
   30    27 S   CT   _CA3    26     1.45280   123.12957   176.83721
   31    30 S   HC   HA31    27     1.09553   107.54640   -63.23765
   32    30 S   HC   HA32    28     1.09559   107.91747    53.15629
   33    29 S   CT   _C17    36     1.83521   102.10423   175.11489
   34    33 S   HC   _H4_    37     1.09740   105.28088    54.30478
   35    30 S   CO3  _C3_    29     1.52930   114.15585   175.12504
   36    35 S   O2Z  _O31    30     1.26362   116.06131    -0.72712
   37    35 S   O2Z  _O32    31     1.26430   114.40943   179.33324
   38    33 S   CM   _C16    38     1.50667   109.08416   -61.41206
   39    38 S   HC   _H16    39     1.09018   115.33001    77.37516
   40    38 S   CMA  _C15    40     1.34993   127.35027  -104.49273
   41    40 S   OM   _O34    41     1.26367   128.52835  -178.16038
   42    40 S   CT   _C14    42     1.53666   119.76411    -0.77228
   43    42 S   HC   _H3_    43     1.10132   107.90939  -129.02088
   44    42 S   CT   _C7_    44     1.54921   116.32058    -7.16990
   45    42 S   OS   _O33    53     1.47526   110.47913   115.84002
   46    44 S   CR3  _C8_    45     1.48421    99.25073   105.06626
   47    44 S   CT   _C6_    67     1.54911   111.29779  -138.56835
   48    47 S   HC   _H12    68     1.09891   108.44609    60.76566
   49    47 S   HC   _H13    69     1.09789   111.11854   -55.87991
   50    46 S   CA   _C9_    46     1.38497   125.89493  -161.07226
   51    50 S   CA   _C10    47     1.39636   117.25517   179.51463
   52    51 S   HA   _H14    48     1.08670   120.34247  -179.88131
   53    50 S   CT   _C20    56     1.50732   118.95408     5.12251
   54    53 S   HC   _H17    57     1.09703   108.22022   122.60595
   55    53 S   HC   _H18    58     1.09487   108.61242  -123.83830
   56    51 S   CA   _C11    49     1.40828   120.23062    -2.21576
   57    56 S   HA   _H15    50     1.08669   118.95617  -179.20574
   58    53 S   CT   _C19    59     1.57386   114.87504     2.12283
   59    58 S   HC   _H6_    60     1.09781   108.50702   145.29944
   60    56 S   CA   _C12    51     1.40022   120.57613    -1.27226
   61    33 S   CT   _C18    61     1.55610   117.24999   171.90498
   62    61 S   HC   _H5_    62     1.10440   102.92019  -161.39660
   63    58 S   NT   _N4_    63     1.48780   112.47814   -95.93624
   64    46 S   CA   _C13    52     1.37654   110.94820    13.67294
   65    60 S   OH   _O35    54     1.36183   121.38575  -176.71020
   66    65 S   HO   _H19    55     0.97593   108.73397     9.57241
   67    63 S   CT   _C5_    64     1.46713   113.08052    59.85661
   68    67 S   HC   _H10    65     1.09677   111.29506   -69.71580
   69    67 S   HC   _H11    66     1.09735   109.56572   173.24257
   70    63 S   CT   _C4_    70     1.45876   113.61933   -68.89950
   71    70 S   HC   _H7_    71     1.09546   110.79226   -52.16496
   72    70 S   HC   _H8_    72     1.09592   110.09548  -169.56453
   73    70 S   HC   _H9_    73     1.09421   113.19408    69.86231
  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  10   4   9   4  14   6  18   8  17  12   6
   5  13  10   4  11   5   4   5   3  11   5   3   5   1   7   2
   1   1   6   2   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    58    61    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    46    53    58    59    61    62    63    47  
   38    39    40    44    58    61    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    58    61    62  
   40    41    42    61  
   41    42    43    44    46    64    45    61    47  
   42    43    44    45  
   43    44    46    50    60    64    45    58    61    62    67    47    48    49  
   44    46    64    45    61    47  
   46    50    51    60    64    45    53    58    59    61    62    63    67    68    69    47    48    49  
   65    61    47    46    50    56    60    64  
   50    51    52    56    60    64    65    53    54    55    58    61    62    67    47    48    49  
   48    49    70    50    58    61    62    63    64    67    68    69  
   49    61    63    67    68    69  
   61    63    67    68    69  
   51    52    56    57    60    64    53    54    55    58    59    61    63  
   52    56    57    60    64    65    53    54    55    58  
   56    57    60    53  
   54    55    58    59    61    62    63    67    70    56    64  
   55    58    59    61    63  
   58    59    61    63  
   57    60    64    65    66  
   60    64    65  
   59    61    62    63    67    68    69    70    71    72    73  
   61    62    63    67    70  
   64    65    66  
   62    63    67    70    64  
   63  
   67    68    69    70    71    72    73  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.090000   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   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    61   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    45   320.000  1.410
   44    46   317.000  1.510
   44    61   268.000  1.529
   44    47   268.000  1.529
   46    50   490.000  1.398
   46    64   490.000  1.398
   50    51   469.000  1.400
   50    53   317.000  1.510
   51    52   367.000  1.080
   51    56   469.000  1.400
   56    57   367.000  1.080
   56    60   469.000  1.400
   60    64   469.000  1.400
   60    65   450.000  1.364
   64    45   450.000  1.364
   65    66   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    61   268.000  1.529
   58    63   382.000  1.448
   61    62   340.000  1.090
   63    67   382.000  1.448
   63    70   382.000  1.448
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   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    61    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    61    44    58.35000  112.70000
   33    61    58    58.35000  112.70000
   33    61    62    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    45.00000  110.52000
   40    42    44    70.00000  112.02700
   40    42    45    85.00000  110.90400
   42    40    41    85.00000  112.85300
   42    44    46    70.00000  112.17500
   42    44    61    58.35000  112.70000
   42    44    47    58.35000  112.70000
   42    45    64    75.00000  111.00000
   44    42    43    37.50000  110.70000
   44    46    50    70.00000  120.00000
   44    46    64    70.00000  120.00000
   44    61    58    58.35000  112.70000
   44    61    62    37.50000  110.70000
   44    47    67    58.35000  112.70000
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   46    50    51    70.00000  112.88000
   46    50    53    80.00000  105.07000
   46    64    60    70.00000  112.88000
   46    64    45    70.00000  120.00000
   50    51    52    35.00000  120.00000
   50    51    56    63.00000  120.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    58    70.00000  112.17500
   51    56    57    35.00000  120.00000
   51    56    60    63.00000  120.00000
   56    51    52    35.00000  120.00000
   56    60    64    63.00000  120.00000
   56    60    65    70.00000  120.00000
   60    56    57    35.00000  120.00000
   60    64    45    70.00000  120.00000
   60    65    66    35.00000  113.00000
   64    46    50    60.00000  130.80000
   45    42    43    35.00000  109.50000
   45    42    44    50.00000  109.50000
   65    60    64    70.00000  120.00000
   53    50    51    70.00000  120.00000
   53    58    59    37.50000  110.70000
   53    58    61    58.35000  112.70000
   53    58    63    56.20000  109.47000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    63    67    51.80000  107.20000
   58    63    70    51.80000  107.20000
   61    33    34    37.50000  110.70000
   61    33    38    70.00000  112.02700
   61    44    46    70.00000  112.17500
   61    58    59    37.50000  110.70000
   63    58    59    35.00000  109.50000
   63    58    61    56.20000  109.47000
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    47    56.20000  109.47000
   63    70    71    35.00000  109.50000
   63    70    72    35.00000  109.50000
   63    70    73    35.00000  109.50000
   67    47    48    37.50000  110.70000
   67    47    49    37.50000  110.70000
   69    67    68    33.00000  107.80000
   47    44    46    70.00000  112.17500
   47    44    61    58.35000  112.70000
   47    67    68    37.50000  110.70000
   47    67    69    37.50000  110.70000
   49    47    48    33.00000  107.80000
   70    63    67    51.80000  107.20000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   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    61    44   0.44750  1.0 1.0
   29    33    61    44  -0.17800 -1.0 2.0
   29    33    61    44   0.20200  1.0 3.0
   29    33    61    58   0.44750  1.0 1.0
   29    33    61    58  -0.17800 -1.0 2.0
   29    33    61    58   0.20200  1.0 3.0
   29    33    61    62   0.15000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    61    44   0.15000  1.0 3.0
   34    33    61    58   0.15000  1.0 3.0
   34    33    61    62   0.15000  1.0 3.0
   38    33    61    44   0.34400  1.0 1.0
   38    33    61    44   0.09450 -1.0 2.0
   38    33    61    44   0.11100  1.0 3.0
   38    33    61    58   0.34400  1.0 1.0
   38    33    61    58   0.09450 -1.0 2.0
   38    33    61    58   0.11100  1.0 3.0
   38    33    61    62   0.15000  1.0 3.0
   38    40    42    43   0.00000  1.0 1.0
   38    40   -42    44   0.09850  1.0 1.0
   38    40   -42    44   0.15250 -1.0 2.0
   38    40   -42    44  -0.50650  1.0 3.0
   38    40    42    45   0.39000  1.0 1.0
   38    40    42    45  -0.05800 -1.0 2.0
   38    40    42    45  -0.55150  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    44    46   0.21200  1.0 1.0
   40    42    44    46   0.16900 -1.0 2.0
   40    42    44    46  -1.15100  1.0 3.0
   40    42    44    61   0.34400  1.0 1.0
   40    42    44    61   0.09450 -1.0 2.0
   40    42    44    61   0.11100  1.0 3.0
   40    42    44    47   0.34400  1.0 1.0
   40    42    44    47   0.09450 -1.0 2.0
   40    42    44    47   0.11100  1.0 3.0
   40    42    45    64  -0.25600  1.0 1.0
   40    42    45    64  -0.40050 -1.0 2.0
   40    42    45    64   0.34700  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.09700  1.0 1.0
   41    40    42    44   0.15600 -1.0 2.0
   41    40    42    44  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   42    44    46    50   0.04150 -1.0 2.0
   42    44   -46    64   0.04150 -1.0 2.0
   42    44   -61    33   0.56750  1.0 1.0
   42    44   -61    33  -0.07550 -1.0 2.0
   42    44   -61    33   0.20000  1.0 3.0
   42    44    61    58   0.56750  1.0 1.0
   42    44    61    58  -0.07550 -1.0 2.0
   42    44    61    58   0.20000  1.0 3.0
   42    44    61    62   0.15000  1.0 3.0
   42    44    47    67   0.56750  1.0 1.0
   42    44    47    67  -0.07550 -1.0 2.0
   42    44    47    67   0.20000  1.0 3.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   43    42    44    46   0.43200  1.0 3.0
   43    42    44    61   0.15000  1.0 3.0
   43    42    44    47   0.15000  1.0 3.0
   43    42    45    64   0.08050  1.0 3.0
   44    42   -45    64  -0.32850  1.0 1.0
   44    42   -45    64  -0.35800 -1.0 2.0
   44    42   -45    64   0.33950  1.0 3.0
   44    46    50    51   3.62500 -1.0 2.0
   44    46    50    53   3.62500 -1.0 2.0
   44    46    64    60   3.62500 -1.0 2.0
   44    46   -64    45   3.62500 -1.0 2.0
   46    44    61    33  -0.03700  1.0 1.0
   46    44    61    33   0.37200 -1.0 2.0
   46    44    61    33  -0.47300  1.0 3.0
   46    44    61    58  -0.03700  1.0 1.0
   46    44    61    58   0.37200 -1.0 2.0
   46    44    61    58  -0.47300  1.0 3.0
   46    44    61    62   0.43200  1.0 3.0
   46    44    47    67  -0.03700  1.0 1.0
   46    44    47    67   0.37200 -1.0 2.0
   46    44    47    67  -0.47300  1.0 3.0
   46    44    47    48   0.43200  1.0 3.0
   46    44    47    49   0.43200  1.0 3.0
   46    50    51    52   3.62500 -1.0 2.0
   46    50    51    56   3.62500 -1.0 2.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50   -53    58   0.04150 -1.0 2.0
   46    64   -45    42   1.63200 -1.0 2.0
   50    46    64    60   3.62500 -1.0 2.0
   50    46    64    45   3.62500 -1.0 2.0
   50    51    56    57   3.62500 -1.0 2.0
   50    51   -56    60   3.62500 -1.0 2.0
   50    53    58    59   0.43200  1.0 3.0
   50    53    58    61  -0.03700  1.0 1.0
   50    53    58    61   0.37200 -1.0 2.0
   50    53    58    61  -0.47300  1.0 3.0
   50    53    58    63   0.83750  1.0 1.0
   50    53    58    63   0.32200 -1.0 2.0
   50    53    58    63   0.70600  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    58   0.04150 -1.0 2.0
   51    56    60    64   3.62500 -1.0 2.0
   51    56    60    65   3.62500 -1.0 2.0
   52    51    56    57   3.62500 -1.0 2.0
   52    51    56    60   3.62500 -1.0 2.0
   56    60   -64    46   3.62500 -1.0 2.0
   56    60    64    45   3.62500 -1.0 2.0
   56    60    65    66   0.84100 -1.0 2.0
   57    56    60    64   3.62500 -1.0 2.0
   57    56    60    65   3.62500 -1.0 2.0
   60    64    45    42   1.63200 -1.0 2.0
   64    46   -50    51   3.62500 -1.0 2.0
   64    46    50    53   3.62500 -1.0 2.0
   64    60    65    66   0.84100 -1.0 2.0
   45    42   -44    46  -0.64350  1.0 1.0
   45    42   -44    46  -0.04200 -1.0 2.0
   45    42   -44    46   0.19800  1.0 3.0
   45    42    44    61   0.62750  1.0 1.0
   45    42    44    61  -0.30950 -1.0 2.0
   45    42    44    61   0.27300  1.0 3.0
   45    42    44    47   0.62750  1.0 1.0
   45    42    44    47  -0.30950 -1.0 2.0
   45    42    44    47   0.27300  1.0 3.0
   65    60    64    46   3.62500 -1.0 2.0
   65    60    64    45   3.62500 -1.0 2.0
   53    50    51    52   3.62500 -1.0 2.0
   53    50    51    56   3.62500 -1.0 2.0
   53    58    61    33   0.56750  1.0 1.0
   53    58    61    33  -0.07550 -1.0 2.0
   53    58    61    33   0.20000  1.0 3.0
   53    58   -61    44   0.56750  1.0 1.0
   53    58   -61    44  -0.07550 -1.0 2.0
   53    58   -61    44   0.20000  1.0 3.0
   53    58    61    62   0.15000  1.0 3.0
   53    58    63    67   0.23450  1.0 1.0
   53    58    63    67   0.02050 -1.0 2.0
   53    58    63    67   0.25250  1.0 3.0
   53    58    63    70   0.58650  1.0 1.0
   53    58    63    70   0.12600 -1.0 2.0
   53    58    63    70   0.33350  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   55    53    58    63   0.15000  1.0 3.0
   58    63    67    68   0.28000  1.0 3.0
   58    63    67    69   0.28000  1.0 3.0
   58    63    67    47   0.23450  1.0 1.0
   58    63    67    47   0.02050 -1.0 2.0
   58    63    67    47   0.25250  1.0 3.0
   58    63    70    71   0.28000  1.0 3.0
   58    63    70    72   0.28000  1.0 3.0
   58    63    70    73   0.28000  1.0 3.0
   59    58    61    33   0.15000  1.0 3.0
   59    58    61    44   0.15000  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    63    67   0.28000  1.0 3.0
   59    58    63    70   0.28000  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33   -38    40   0.09850  1.0 1.0
   61    33   -38    40   0.15250 -1.0 2.0
   61    33   -38    40  -0.50650  1.0 3.0
   61    44   -46    50   0.04150 -1.0 2.0
   61    44    46    64   0.04150 -1.0 2.0
   61    44    47    67   0.56750  1.0 1.0
   61    44    47    67  -0.07550 -1.0 2.0
   61    44    47    67   0.20000  1.0 3.0
   61    44    47    48   0.15000  1.0 3.0
   61    44    47    49   0.15000  1.0 3.0
   61    58   -63    67   0.23450  1.0 1.0
   61    58   -63    67   0.02050 -1.0 2.0
   61    58   -63    67   0.25250  1.0 3.0
   61    58    63    70   0.58650  1.0 1.0
   61    58    63    70   0.12600 -1.0 2.0
   61    58    63    70   0.33350  1.0 3.0
   63    58    61    33   1.53400  1.0 1.0
   63    58    61    33  -0.09950 -1.0 2.0
   63    58    61    33   0.05700  1.0 3.0
   63    58    61    44   1.53400  1.0 1.0
   63    58    61    44  -0.09950 -1.0 2.0
   63    58    61    44   0.05700  1.0 3.0
   63    58    61    62   0.15000  1.0 3.0
   63    67   -47    44   1.53400  1.0 1.0
   63    67   -47    44  -0.09950 -1.0 2.0
   63    67   -47    44   0.05700  1.0 3.0
   63    67    47    48   0.15000  1.0 3.0
   63    67    47    49   0.15000  1.0 3.0
   67    63    70    71   0.28000  1.0 3.0
   67    63    70    72   0.28000  1.0 3.0
   67    63    70    73   0.28000  1.0 3.0
   68    67    47    44   0.15000  1.0 3.0
   68    67    47    48   0.15000  1.0 3.0
   68    67    47    49   0.15000  1.0 3.0
   69    67    47    44   0.15000  1.0 3.0
   69    67    47    48   0.15000  1.0 3.0
   69    67    47    49   0.15000  1.0 3.0
   47    44    46    50   0.04150 -1.0 2.0
   47    44    46    64   0.04150 -1.0 2.0
   47    44    61    33   0.56750  1.0 1.0
   47    44    61    33  -0.07550 -1.0 2.0
   47    44    61    33   0.20000  1.0 3.0
   47    44   -61    58   0.56750  1.0 1.0
   47    44   -61    58  -0.07550 -1.0 2.0
   47    44   -61    58   0.20000  1.0 3.0
   47    44    61    62   0.15000  1.0 3.0
   70    63    67    68   0.28000  1.0 3.0
   70    63    67    69   0.28000  1.0 3.0
   70    63    67    47   0.58650  1.0 1.0
   70    63    67    47   0.12600 -1.0 2.0
   70    63    67    47   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
   50    64    46    44   4.00000 -1.0 2.0
   51    53    50    46   4.00000 -1.0 2.0
   56    52    51    50   1.10000 -1.0 2.0
   60    57    56    51   1.10000 -1.0 2.0
   64    65    60    56   4.00000 -1.0 2.0
   60    45    64    46   4.00000 -1.0 2.0
END
