* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     429
    1     0 S   NP   _N1_     1    28.82020    95.15074   -24.53835
    2     1 S   H    _HN1     2     1.02827    27.66458   172.53765
    3     1 S   H    _H1_     3     1.02788   111.35641   -99.49708
    4     1 S   H    _H2_     4     1.02949    80.25212     6.52726
    5     1 S   CT   _CA1     5     1.50117   128.31507   114.89327
    6     5 S   HC   _HA1     6     1.09575   105.18981    84.07698
    7     5 S   CO3  _C1_     7     1.53779   112.41570   -36.15198
    8     7 S   O2Z  _O11     8     1.26374   115.00548   -43.72187
    9     7 S   O2Z  _O12     9     1.26236   114.93543   135.34060
   10     5 S   CT   _CB1    10     1.53070   107.40796  -157.97168
   11    10 S   HC   HB11    11     1.09836   109.35231   -49.78310
   12    10 S   HC   HB12    12     1.09812   110.46939    66.81575
   13    10 S   CT   _CG1    13     1.52999   112.61143  -170.74587
   14    13 S   HC   HG11    14     1.09580   110.65859   -66.06992
   15    13 S   HC   HG12    15     1.09671   109.76373    53.16720
   16    13 S   C    _CD1    16     1.51809   112.14108   173.61684
   17    16 S   O    _OE1    17     1.22746   123.24249     8.40403
   18    16 S   N    _N2_    18     1.38635   111.71632  -171.63628
   19    18 S   H    _HN2    19     1.01581   119.02898     1.28329
   20    18 S   CT1  _CA2    20     1.46251   123.43590   177.43624
   21    20 S   HC   _HA2    21     1.09743   109.23605     5.21072
   22    20 S   C    _C2_    22     1.53646   109.01915  -110.24256
   23    22 S   O    _O2_    23     1.23073   122.24490  -151.05760
   24    20 S   CT   _CB2    32     1.53409   111.51735   127.08583
   25    24 S   HC   HB21    33     1.09473   109.61667    56.05584
   26    24 S   HC   HB22    34     1.09492   110.09105   175.41226
   27    22 S   N    _N3_    24     1.38325   113.87739    36.56226
   28    27 S   H    _HN3    25     1.01555   119.57767    -3.54403
   29    24 S   S    _SG2    35     1.82633   111.23451   -64.61260
   30    27 S   CT   _CA3    26     1.45274   123.23599   177.07143
   31    30 S   HC   HA31    27     1.09549   107.53853   -64.13152
   32    30 S   HC   HA32    28     1.09557   107.96181    52.31078
   33    29 S   CT   _C14    36     1.84543   100.48390  -171.47152
   34    33 S   HC   _H7_    37     1.10065   104.26667    55.54697
   35    30 S   CO3  _C3_    29     1.52958   114.07002   174.30512
   36    35 S   O2Z  _O31    30     1.26379   116.08418     0.02798
   37    35 S   O2Z  _O32    31     1.26428   114.41149  -179.92598
   38    33 S   CT   _C13    38     1.56402   114.34565   -66.50869
   39    38 S   OM   _O37    39     1.32378   108.50832    97.17709
   40    38 S   HC   _H6_    40     1.09716   108.07496   -34.26026
   41    38 S   C3T  _C11    41     1.54179   103.27993  -145.95291
   42    41 S   C3T  _C12    42     1.52801   117.99376   154.91114
   43    42 S   HC   _H14    43     1.07897   121.33528  -147.79058
   44    42 S   HC   _H15    44     1.08403   118.22060     0.18767
   45    41 S   CT   _C10    46     1.54012   111.40908    -3.26830
   46    41 S   O3T  _O33    45     1.44443   117.83708  -139.58220
   47    45 S   CT   _C9_    47     1.55294   117.76186   145.15498
   48    47 S   HC   _H5_    48     1.09611   107.22323   164.72953
   49    45 S   CT   _C18    71     1.55548   108.17439   -92.91059
   50    49 S   HC   _H17    72     1.09455   112.22201    53.51842
   51    49 S   HC   _H18    73     1.09605   111.08136   -66.13762
   52    49 S   HC   _H19    74     1.09556   111.64077   174.41745
   53    47 S   CT   _C8_    49     1.53951   115.10599   -76.48720
   54    53 S   HC   _H4_    50     1.09498   111.74152   170.46902
   55    47 S   OH   _O38    69     1.42459   111.63782    51.07177
   56    55 S   HO   _H20    70     0.97206   107.91445   175.58447
   57    53 S   CT   _C7_    51     1.52638   112.06310   -62.32526
   58    57 S   HC   _H3_    52     1.10465   106.51945  -179.92598
   59    57 S   CT   _C16    53     1.54512    97.28266    70.03099
   60    59 S   HC   _H8_    54     1.09361   108.67425   163.73041
   61    57 S   CM   _C5_    61     1.51493   119.06747   -63.58759
   62    59 S   CO4  _C17    55     1.51468    96.52770    48.98332
   63    62 S   O    _O34    56     1.21911   127.00661   145.07030
   64    33 S   CT   _C15    58     1.56778   113.04516   171.66782
   65    61 S   CM   _C6_    62     1.34309   123.18180   149.45494
   66    65 S   HC   _H12    63     1.08539   121.42911   176.90497
   67    65 S   HC   _H13    64     1.08380   122.04347    -1.54548
   68    61 S   CT   _C4_    65     1.50680   117.01199   -37.51215
   69    68 S   HC   _H9_    66     1.09512   110.16955   -51.38765
   70    68 S   HC   _H10    67     1.09311   111.25968    69.07080
   71    68 S   HC   _H11    68     1.09556   112.16418  -170.78851
   72    53 S   OS   _O35    57     1.44151   110.89053    50.20156
   73    64 S   OH   _O36    59     1.43212   106.46783   -82.59625
   74    73 S   HO   _H16    60     0.97313   107.36982    54.64602
  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  10   5   4   3
  17   8   2   1   1  13   6   5  16   7   3   2  19   3  17   8
   8   3   2   1  14   7   4   1  16   8  10   6  10   4   2   3
   6   2   1   3   2   1   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    59    64    73  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    46    45    47    57    59    60    62    64    73    74    49  
   38    39    40    41    45    59    64    73  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    45    47    59    64    73    49  
   40    41    42    46    45    64  
   41    42    46    45    64  
   42    43    44    46    45    47    48    53    59    64    73    55    49    50    51    52  
   43    44    46    45    47    64    49  
   44    46    45  
   46    45  
   47    48    53    54    57    59    60    62    72    64    73    74    55    56    49    50    51    52    46  
   47    64    49  
   48    53    54    57    58    59    62    72    64    73    61    55    56    49    50    51    52  
   53    54    57    72    64    55    56    49  
   50    51    52    53    55    59    64    73  
   51    52    64  
   52    64  
   64  
   54    57    58    59    60    62    63    72    64    61    65    68    55    56  
   57    58    59    62    72    61    55  
   56    57    64    72  
    0  
   58    59    60    62    63    72    64    73    61    65    66    67    68    69    70    71  
   59    60    62    72    64    61    65    68  
   60    62    63    72    64    73    74    61    65    68  
   62    63    72    64    73    61  
   65    66    67    68    69    70    71    62    64    72  
   63    72    64    73  
   72    64  
   73    74    72  
   66    67    68    69    70    71  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
    0  
   74  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   39   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   40   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   268.000  1.529
   33    64   268.000  1.529
   38    39   570.000  1.307
   38    40   340.000  1.090
   38    41   275.000  1.510
   41    42   260.000  1.509
   41    46   335.000  1.432
   41    45   275.000  1.510
   42    43   340.000  1.088
   42    44   340.000  1.088
   42    46   335.000  1.432
   45    47   268.000  1.529
   45    64   268.000  1.529
   45    49   268.000  1.529
   47    48   340.000  1.090
   47    53   268.000  1.529
   47    55   320.000  1.410
   53    54   340.000  1.090
   53    57   268.000  1.529
   53    72   320.000  1.410
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    61   317.000  1.510
   59    60   340.000  1.090
   59    62   317.000  1.522
   59    64   268.000  1.529
   62    63   570.000  1.229
   62    72   214.000  1.327
   64    73   320.000  1.410
   73    74   553.000  0.945
   61    65   549.000  1.340
   61    68   317.000  1.510
   65    66   340.000  1.080
   65    67   340.000  1.080
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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  111.63000
   29    33    64    75.00000  111.63000
   33    38    39    50.00000  109.50000
   33    38    40    37.50000  110.70000
   33    38    41    70.00000  112.37300
   33    64    45    58.35000  112.70000
   33    64    59    58.35000  112.70000
   33    64    73    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    60.00000  120.94000
   38    41    46    80.00000  116.47100
   38    41    45    58.35000  112.70000
   40    38    39    45.00000  125.66300
   41    38    39    50.00000  109.50000
   41    38    40    45.00000  109.38400
   41    42    43    37.50000  117.20000
   41    42    44    37.50000  117.20000
   41    42    46    15.00000   60.43100
   41    46    42    15.00000   59.14900
   41    45    47    70.00000  112.37300
   41    45    64    70.00000  112.37300
   41    45    49    70.00000  112.37300
   44    42    43    35.00000  114.30000
   46    41    42    15.00000   60.43100
   46    42    43    50.00000  114.27700
   46    42    44    50.00000  114.27700
   45    41    42    60.00000  120.94000
   45    41    46    80.00000  116.47100
   45    47    48    37.50000  110.70000
   45    47    53    58.35000  112.70000
   45    47    55    50.00000  109.50000
   45    64    59    58.35000  112.70000
   45    64    73    50.00000  109.50000
   45    49    50    37.50000  110.70000
   45    49    51    37.50000  110.70000
   45    49    52    37.50000  110.70000
   47    53    54    37.50000  110.70000
   47    53    57    58.35000  112.70000
   47    53    72    50.00000  109.50000
   47    55    56    55.00000  108.50000
   53    47    48    37.50000  110.70000
   53    57    58    37.50000  110.70000
   53    57    59    58.35000  112.70000
   53    57    61    70.00000  112.02700
   53    72    62    83.00000  116.90000
   57    53    54    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    62    63.00000  111.10000
   57    59    64    58.35000  112.70000
   57    61    65    70.00000  124.00000
   57    61    68    65.00000  117.92700
   59    57    58    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    72    81.00000  111.40000
   59    64    73    50.00000  109.50000
   62    59    60    35.00000  109.50000
   72    53    54    35.00000  109.50000
   72    53    57    50.00000  109.50000
   72    62    63    83.00000  123.40000
   64    33    34    37.50000  110.70000
   64    33    38    58.35000  112.70000
   64    45    47    58.35000  112.70000
   64    59    60    37.50000  110.70000
   64    59    62    63.00000  111.10000
   64    73    74    55.00000  108.50000
   61    57    58    35.00000  109.50000
   61    57    59    70.00000  112.02700
   61    65    66    35.00000  120.00000
   61    65    67    35.00000  120.00000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   67    65    66    35.00000  117.00000
   68    61    65    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    47    48    35.00000  109.50000
   55    47    53    50.00000  109.50000
   49    45    47    58.35000  112.70000
   49    45    64    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    64   0.01700  1.0 1.0
   24    29    33    64  -0.23550 -1.0 2.0
   24    29    33    64   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   0.56750  1.0 1.0
   29    33    38    39  -0.07550 -1.0 2.0
   29    33    38    39   0.20000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    64    45   0.44750  1.0 1.0
   29    33    64    45  -0.17800 -1.0 2.0
   29    33    64    45   0.20200  1.0 3.0
   29    33    64    59   0.44750  1.0 1.0
   29    33    64    59  -0.17800 -1.0 2.0
   29    33    64    59   0.20200  1.0 3.0
   29    33    64    73   0.56750  1.0 1.0
   29    33    64    73  -0.07550 -1.0 2.0
   29    33    64    73   0.20000  1.0 3.0
   33    38    41    42   0.07850  1.0 1.0
   33    38    41    42  -0.03950 -1.0 2.0
   33    38    41    42   0.67350  1.0 3.0
   33    38    41    46   0.02550  1.0 1.0
   33    38    41    46  -0.02600 -1.0 2.0
   33    38    41    46   1.20400  1.0 3.0
   33    38   -41    45   0.56750  1.0 1.0
   33    38   -41    45  -0.07550 -1.0 2.0
   33    38   -41    45   0.20000  1.0 3.0
   33    64    73    74  -0.11600  1.0 1.0
   33    64    73    74  -0.09450 -1.0 2.0
   33    64    73    74   0.21250  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    64    45   0.15000  1.0 3.0
   34    33    64    59   0.15000  1.0 3.0
   34    33    64    73   0.23400  1.0 3.0
   38    33   -64    45   0.56750  1.0 1.0
   38    33   -64    45  -0.07550 -1.0 2.0
   38    33   -64    45   0.20000  1.0 3.0
   38    33    64    59   0.56750  1.0 1.0
   38    33    64    59  -0.07550 -1.0 2.0
   38    33    64    59   0.20000  1.0 3.0
   38    33    64    73   0.86500  1.0 1.0
   38    33    64    73  -0.17500 -1.0 2.0
   38    33    64    73   0.20800  1.0 3.0
   38    41    42    43   0.15000  1.0 3.0
   38    41    42    44   0.15000  1.0 3.0
   38    41   -42    46   0.02550  1.0 1.0
   38    41   -42    46  -0.02600 -1.0 2.0
   38    41   -42    46   1.20400  1.0 3.0
   38    41   -46    42   0.06250  1.0 1.0
   38    41   -46    42  -0.01100 -1.0 2.0
   38    41   -46    42   0.28050  1.0 3.0
   38    41    45    47   0.56750  1.0 1.0
   38    41    45    47  -0.07550 -1.0 2.0
   38    41    45    47   0.20000  1.0 3.0
   38    41   -45    64   0.56750  1.0 1.0
   38    41   -45    64  -0.07550 -1.0 2.0
   38    41   -45    64   0.20000  1.0 3.0
   38    41    45    49   0.56750  1.0 1.0
   38    41    45    49  -0.07550 -1.0 2.0
   38    41    45    49   0.20000  1.0 3.0
   39    38    41    42  -0.26800  1.0 1.0
   39    38    41    42   0.69150 -1.0 2.0
   39    38    41    42  -0.48750  1.0 3.0
   39    38    41    46   1.11900  1.0 1.0
   39    38    41    46  -1.16350 -1.0 2.0
   39    38    41    46  -0.34150  1.0 3.0
   39    38    41    45   0.62750  1.0 1.0
   39    38    41    45  -0.30950 -1.0 2.0
   39    38    41    45   0.27300  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    46   0.23400  1.0 3.0
   40    38    41    45   0.15000  1.0 3.0
   41    45    47    48   0.15000  1.0 3.0
   41    45    47    53   0.47050  1.0 1.0
   41    45    47    53   0.03900 -1.0 2.0
   41    45    47    53   0.20100  1.0 3.0
   41    45    47    55   0.86500  1.0 1.0
   41    45    47    55  -0.17500 -1.0 2.0
   41    45    47    55   0.20800  1.0 3.0
   41    45   -64    33   0.47050  1.0 1.0
   41    45   -64    33   0.03900 -1.0 2.0
   41    45   -64    33   0.20100  1.0 3.0
   41    45    64    59   0.47050  1.0 1.0
   41    45    64    59   0.03900 -1.0 2.0
   41    45    64    59   0.20100  1.0 3.0
   41    45    64    73   0.86500  1.0 1.0
   41    45    64    73  -0.17500 -1.0 2.0
   41    45    64    73   0.20800  1.0 3.0
   41    45    49    50   0.15000  1.0 3.0
   41    45    49    51   0.15000  1.0 3.0
   41    45    49    52   0.15000  1.0 3.0
   42    41    45    47   0.07850  1.0 1.0
   42    41    45    47  -0.03950 -1.0 2.0
   42    41    45    47   0.67350  1.0 3.0
   42    41    45    64   0.07850  1.0 1.0
   42    41    45    64  -0.03950 -1.0 2.0
   42    41    45    64   0.67350  1.0 3.0
   42    41    45    49   0.07850  1.0 1.0
   42    41    45    49  -0.03950 -1.0 2.0
   42    41    45    49   0.67350  1.0 3.0
   43    42   -46    41   0.36800  1.0 3.0
   44    42   -46    41   0.36800  1.0 3.0
   46    41   -42    43   0.23400  1.0 3.0
   46    41   -42    44   0.23400  1.0 3.0
   46    41    45    47   0.02550  1.0 1.0
   46    41    45    47  -0.02600 -1.0 2.0
   46    41    45    47   1.20400  1.0 3.0
   46    41    45    64   0.02550  1.0 1.0
   46    41    45    64  -0.02600 -1.0 2.0
   46    41    45    64   1.20400  1.0 3.0
   46    41    45    49   0.02550  1.0 1.0
   46    41    45    49  -0.02600 -1.0 2.0
   46    41    45    49   1.20400  1.0 3.0
   45    41    42    43   0.15000  1.0 3.0
   45    41    42    44   0.15000  1.0 3.0
   45    41   -42    46   0.02550  1.0 1.0
   45    41   -42    46  -0.02600 -1.0 2.0
   45    41   -42    46   1.20400  1.0 3.0
   45    41   -46    42   0.06250  1.0 1.0
   45    41   -46    42  -0.01100 -1.0 2.0
   45    41   -46    42   0.28050  1.0 3.0
   45    47    53    54   0.15000  1.0 3.0
   45    47    53    57   0.56750  1.0 1.0
   45    47    53    57  -0.07550 -1.0 2.0
   45    47    53    57   0.20000  1.0 3.0
   45    47    53    72   0.62750  1.0 1.0
   45    47    53    72  -0.30950 -1.0 2.0
   45    47    53    72   0.27300  1.0 3.0
   45    47    55    56  -0.11600  1.0 1.0
   45    47    55    56  -0.09450 -1.0 2.0
   45    47    55    56   0.21250  1.0 3.0
   45    64    73    74  -0.11600  1.0 1.0
   45    64    73    74  -0.09450 -1.0 2.0
   45    64    73    74   0.21250  1.0 3.0
   47    45    64    33   0.56750  1.0 1.0
   47    45    64    33  -0.07550 -1.0 2.0
   47    45    64    33   0.20000  1.0 3.0
   47    45    64    59   0.56750  1.0 1.0
   47    45    64    59  -0.07550 -1.0 2.0
   47    45    64    59   0.20000  1.0 3.0
   47    45    64    73   0.86500  1.0 1.0
   47    45    64    73  -0.17500 -1.0 2.0
   47    45    64    73   0.20800  1.0 3.0
   47    45    49    50   0.15000  1.0 3.0
   47    45    49    51   0.15000  1.0 3.0
   47    45    49    52   0.15000  1.0 3.0
   47    53    57    58   0.15000  1.0 3.0
   47    53   -57    59   0.56750  1.0 1.0
   47    53   -57    59  -0.07550 -1.0 2.0
   47    53   -57    59   0.20000  1.0 3.0
   47    53    57    61   0.34400  1.0 1.0
   47    53    57    61   0.09450 -1.0 2.0
   47    53    57    61   0.11100  1.0 3.0
   47    53    72    62  -0.25900  1.0 1.0
   47    53    72    62  -0.47000 -1.0 2.0
   47    53    72    62   0.11750  1.0 3.0
   48    47    53    54   0.15000  1.0 3.0
   48    47    53    57   0.15000  1.0 3.0
   48    47    53    72   0.23400  1.0 3.0
   48    47    55    56   0.19450  1.0 3.0
   53    47    55    56  -0.11600  1.0 1.0
   53    47    55    56  -0.09450 -1.0 2.0
   53    47    55    56   0.21250  1.0 3.0
   53    57    59    60   0.15000  1.0 3.0
   53    57   -59    62  -0.95700  1.0 1.0
   53    57   -59    62  -0.18200 -1.0 2.0
   53    57   -59    62   0.29450  1.0 3.0
   53    57    59    64   0.56750  1.0 1.0
   53    57    59    64  -0.07550 -1.0 2.0
   53    57    59    64   0.20000  1.0 3.0
   53    57    61    65   0.09850  1.0 1.0
   53    57    61    65   0.15250 -1.0 2.0
   53    57    61    65  -0.50650  1.0 3.0
   53    57    61    68   0.46850  1.0 1.0
   53    57    61    68   0.08550 -1.0 2.0
   53    57    61    68   0.09800  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    61   0.15000  1.0 3.0
   54    53    72    62   0.08050  1.0 3.0
   57    53   -72    62  -0.25900  1.0 1.0
   57    53   -72    62  -0.47000 -1.0 2.0
   57    53   -72    62   0.11750  1.0 3.0
   57    59    62    63   0.30150 -1.0 2.0
   57    59   -62    72   0.36750  1.0 3.0
   57    59    64    33   0.56750  1.0 1.0
   57    59    64    33  -0.07550 -1.0 2.0
   57    59    64    33   0.20000  1.0 3.0
   57    59   -64    45   0.56750  1.0 1.0
   57    59   -64    45  -0.07550 -1.0 2.0
   57    59   -64    45   0.20000  1.0 3.0
   57    59    64    73   0.86500  1.0 1.0
   57    59    64    73  -0.17500 -1.0 2.0
   57    59    64    73   0.20800  1.0 3.0
   57    61    65    66   7.00000 -1.0 2.0
   57    61    65    67   7.00000 -1.0 2.0
   57    61    68    69   0.34800  1.0 3.0
   57    61    68    70   0.34800  1.0 3.0
   57    61    68    71   0.34800  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    62  -0.11250  1.0 3.0
   58    57    59    64   0.15000  1.0 3.0
   58    57    61    65   0.00000  1.0 1.0
   58    57    61    68   0.34800  1.0 3.0
   59    57    61    65   0.09850  1.0 1.0
   59    57    61    65   0.15250 -1.0 2.0
   59    57    61    65  -0.50650  1.0 3.0
   59    57    61    68   0.46850  1.0 1.0
   59    57    61    68   0.08550 -1.0 2.0
   59    57    61    68   0.09800  1.0 3.0
   59    62   -72    53   1.63150  1.0 1.0
   59    62   -72    53   2.92000 -1.0 2.0
   59    64    73    74  -0.11600  1.0 1.0
   59    64    73    74  -0.09450 -1.0 2.0
   59    64    73    74   0.21250  1.0 3.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    72   0.00000  1.0 1.0
   60    59    64    33   0.15000  1.0 3.0
   60    59    64    45   0.15000  1.0 3.0
   60    59    64    73   0.23400  1.0 3.0
   62    59    64    33  -0.95700  1.0 1.0
   62    59    64    33  -0.18200 -1.0 2.0
   62    59    64    33   0.29450  1.0 3.0
   62    59    64    45  -0.95700  1.0 1.0
   62    59    64    45  -0.18200 -1.0 2.0
   62    59    64    45   0.29450  1.0 3.0
   62    59    64    73  -0.09450  1.0 1.0
   62    59    64    73  -1.12950 -1.0 2.0
   62    59    64    73   0.54000  1.0 3.0
   63    62    72    53   3.00000 -1.0 2.0
   72    53    57    58   0.23400  1.0 3.0
   72    53   -57    59   0.62750  1.0 1.0
   72    53   -57    59  -0.30950 -1.0 2.0
   72    53   -57    59   0.27300  1.0 3.0
   72    53    57    61   0.61850  1.0 1.0
   72    53    57    61  -0.22750 -1.0 2.0
   72    53    57    61   0.15300  1.0 3.0
   64    33    38    39   0.62750  1.0 1.0
   64    33    38    39  -0.30950 -1.0 2.0
   64    33    38    39   0.27300  1.0 3.0
   64    33    38    40   0.15000  1.0 3.0
   64    33   -38    41   0.47050  1.0 1.0
   64    33   -38    41   0.03900 -1.0 2.0
   64    33   -38    41   0.20100  1.0 3.0
   64    45    47    48   0.15000  1.0 3.0
   64    45   -47    53   0.56750  1.0 1.0
   64    45   -47    53  -0.07550 -1.0 2.0
   64    45   -47    53   0.20000  1.0 3.0
   64    45    47    55   0.86500  1.0 1.0
   64    45    47    55  -0.17500 -1.0 2.0
   64    45    47    55   0.20800  1.0 3.0
   64    45    49    50   0.15000  1.0 3.0
   64    45    49    51   0.15000  1.0 3.0
   64    45    49    52   0.15000  1.0 3.0
   64    59    62    63   0.30150 -1.0 2.0
   64    59    62    72   0.36750  1.0 3.0
   61    57    59    60   0.15000  1.0 3.0
   61    57    59    62  -0.98800  1.0 1.0
   61    57    59    62   0.48800 -1.0 2.0
   61    57    59    62   0.76800  1.0 3.0
   61    57    59    64   0.34400  1.0 1.0
   61    57    59    64   0.09450 -1.0 2.0
   61    57    59    64   0.11100  1.0 3.0
   65    61    68    69   0.00000  1.0 1.0
   65    61    68    70   0.00000  1.0 1.0
   65    61    68    71   0.00000  1.0 1.0
   68    61    65    66   7.00000 -1.0 2.0
   68    61    65    67   7.00000 -1.0 2.0
   55    47    53    54   0.23400  1.0 3.0
   55    47    53    57   0.86500  1.0 1.0
   55    47    53    57  -0.17500 -1.0 2.0
   55    47    53    57   0.20800  1.0 3.0
   55    47    53    72   3.69350  1.0 1.0
   55    47    53    72  -1.82950 -1.0 2.0
   49    45    47    48   0.15000  1.0 3.0
   49    45    47    53   0.56750  1.0 1.0
   49    45    47    53  -0.07550 -1.0 2.0
   49    45    47    53   0.20000  1.0 3.0
   49    45    47    55   0.86500  1.0 1.0
   49    45    47    55  -0.17500 -1.0 2.0
   49    45    47    55   0.20800  1.0 3.0
   49    45    64    33   0.56750  1.0 1.0
   49    45    64    33  -0.07550 -1.0 2.0
   49    45    64    33   0.20000  1.0 3.0
   49    45    64    59   0.56750  1.0 1.0
   49    45    64    59  -0.07550 -1.0 2.0
   49    45    64    59   0.20000  1.0 3.0
   49    45    64    73   0.86500  1.0 1.0
   49    45    64    73  -0.17500 -1.0 2.0
   49    45    64    73   0.20800  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
   59    72    62    63  10.50000 -1.0 2.0
   57    68    61    65  15.00000 -1.0 2.0
   66    67    65    61  15.00000 -1.0 2.0
END
