* LIGAND DATABASE FILE (OPLS2005)
*
001      74    77    146    239     429
    1     0 S   NP   _N1_     1    28.78118    94.59895   -22.03132
    2     1 S   H    _HN1     2     1.02958    85.21086    31.21321
    3     1 S   H    _H1_     3     1.02829    29.68700   169.07158
    4     1 S   H    _H2_     4     1.02779    96.98014   -76.71920
    5     1 S   CT   _CA1     5     1.50121   138.97809   147.10557
    6     5 S   HC   _HA1     6     1.09575   105.21708    70.57155
    7     5 S   CO3  _C1_     7     1.53790   112.39524   -49.64291
    8     7 S   O2Z  _O11     8     1.26365   114.99890   -43.52823
    9     7 S   O2Z  _O12     9     1.26237   114.94572   135.61425
   10     5 S   CT   _CB1    10     1.53095   107.41595  -171.49938
   11    10 S   HC   HB11    11     1.09828   109.34975   -50.32934
   12    10 S   HC   HB12    12     1.09819   110.43834    66.24266
   13    10 S   CT   _CG1    13     1.52999   112.64600  -171.38012
   14    13 S   HC   HG11    14     1.09590   110.51084   -64.63533
   15    13 S   HC   HG12    15     1.09663   109.92293    54.60174
   16    13 S   C    _CD1    16     1.51792   112.28315   174.98296
   17    16 S   O    _OE1    17     1.22745   123.31068     1.93026
   18    16 S   N    _N2_    18     1.38580   111.71226  -178.25796
   19    18 S   H    _HN2    19     1.01618   118.97642    -0.30261
   20    18 S   CT1  _CA2    20     1.46179   123.33737   178.73731
   21    20 S   HC   _HA2    21     1.09622   108.91267   -16.79757
   22    20 S   C    _C2_    22     1.53386   108.28907  -131.79609
   23    22 S   O    _O2_    23     1.23007   122.47214  -147.73700
   24    20 S   CT   _CB2    32     1.53385   111.73155   105.75008
   25    24 S   HC   HB21    33     1.09639   109.65448    54.91964
   26    24 S   HC   HB22    34     1.09465   111.36686   172.61661
   27    22 S   N    _N3_    24     1.38395   113.33320    39.90567
   28    27 S   H    _HN3    25     1.01656   119.49932    -3.73848
   29    24 S   S    _SG2    35     1.82845   113.37412   -64.53016
   30    27 S   CT   _CA3    26     1.45286   123.10762   176.82929
   31    30 S   HC   HA31    27     1.09551   107.56990   -62.68142
   32    30 S   HC   HA32    28     1.09556   107.89983    53.72277
   33    29 S   CT   _C13    36     1.81713   100.11725   -78.38042
   34    33 S   HC   _H5_    37     1.09490   109.45585    31.13617
   35    30 S   CO3  _C3_    29     1.52927   114.12350   175.67301
   36    35 S   O2Z  _O31    30     1.26365   116.03883    -0.70721
   37    35 S   O2Z  _O32    31     1.26422   114.41749   179.33618
   38    33 S   CT   _C14    38     1.53416   109.12456   151.00486
   39    38 S   HC   _H6_    39     1.09407   108.52002    40.39590
   40    38 S   CT   _C15    40     1.56102   105.42909   159.69869
   41    38 S   OH   _O37    73     1.41890   112.43659   -79.77024
   42    41 S   HO   _H18    74     0.97431   107.84884    51.09621
   43    40 S   CT   _C16    41     1.55541   113.01121  -160.81622
   44    43 S   HC   _H7_    42     1.09554   112.56000   -86.18018
   45    40 S   CT   _C10    51     1.58055   104.18719   -34.34910
   46    40 S   OH   _O36    71     1.43775   108.19376    82.48344
   47    46 S   HO   _H17    72     0.97130   109.05295   -37.73762
   48    43 S   CO4  _C17    43     1.51556   110.71876    36.63282
   49    48 S   O    _O34    44     1.21971   126.79825   -94.27000
   50    33 S   C3T  _C11    52     1.50669   115.06877   -94.55864
   51    45 S   CT   _C18    57     1.55241   112.16513   133.32576
   52    51 S   HC   _H19    58     1.09694   111.52484   -65.31794
   53    51 S   HC   _H20    59     1.09632   111.16579   175.73171
   54    51 S   HC   _H21    60     1.08623   113.31388    54.45921
   55    48 S   OS   _O35    45     1.37210   108.14390    84.44639
   56    50 S   C3T  _C12    53     1.53170   126.12255    21.71785
   57    56 S   HC   _H15    54     1.08299   119.44185  -160.73472
   58    56 S   HC   _H16    55     1.08140   120.34134   -12.10393
   59    55 S   CT   _C8_    46     1.44697   107.96900     6.15820
   60    59 S   HC   _H4_    47     1.09490   107.23361   145.42009
   61    50 S   O3T  _O33    56     1.44761   111.58699    85.64573
   62    59 S   CT   _C9_    48     1.54050   107.59983   -95.07596
   63    62 S   HC   _H13    49     1.09704   108.32536  -149.88393
   64    62 S   HC   _H14    50     1.09756   107.11437   -36.23911
   65    43 S   CT   _C7_    61     1.53699   115.59644   145.00529
   66    65 S   HC   _H3_    62     1.10508   106.20776  -177.04468
   67    65 S   CM   _C5_    63     1.50798   121.38945    65.99677
   68    67 S   CM   _C6_    64     1.34409   123.23640  -141.33140
   69    68 S   HC   _H11    65     1.08562   121.21832  -177.39759
   70    68 S   HC   _H12    66     1.08385   122.29630     2.35501
   71    67 S   CT   _C4_    67     1.50497   116.49480    44.17749
   72    71 S   HC   _H8_    68     1.09267   110.96240   -68.37030
   73    71 S   HC   _H9_    69     1.09501   110.26160    51.96276
   74    71 S   HC   _H10    70     1.09541   112.14093   171.56234
  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
  16   8   2   1   1  16   7  24   5   1  17   9  19   6   1   8
   3  12   9   3   2   1   8   4   2   1   9   6   1   5   2   1
   9   3   7   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    50    56    61    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    62    45    50    56    57    58    61    51    46    41    42  
   38    39    40    45    50    56    61    41  
   36    37  
   37  
    0  
   39    40    43    44    48    62    45    50    56    61    51    65    46    47    41    42  
   40    43    45    50    46    41    42  
   43    44    48    49    55    59    62    63    64    45    50    56    61    51    52    53    54    65    66    67    46    47    41    42  
   42    43    45    46    50  
    0  
   44    48    49    55    59    60    62    45    50    51    65    66    67    68    71    46    47  
   48    49    55    59    45    65    66    67    46  
   50    56    57    58    61    51    52    53    54    65    46    47    48    55    59    60    62    63    64  
   47    48    50    51    62    65  
    0  
   49    55    59    60    62    65    66    67  
   55    59    65  
   56    57    58    61    51    52    53    54    59    62    63    64  
   52    53    54    56    59    61    62    63    64  
   53    54    62  
   54    62  
   62  
   59    60    62    63    64    65    66    67  
   57    58    61    62  
   58    61  
   61  
   60    62    63    64    65    66    67    68    71  
   62    63    64    65    66    67  
   62  
   63    64    65    66    67  
   64    65  
   65  
   66    67    68    69    70    71    72    73    74  
   67    68    71  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   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   268.000  1.529
   33    50   275.000  1.510
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    41   320.000  1.410
   40    43   268.000  1.529
   40    45   268.000  1.529
   40    46   320.000  1.410
   43    44   340.000  1.090
   43    48   317.000  1.522
   43    65   268.000  1.529
   48    49   570.000  1.229
   48    55   214.000  1.327
   55    59   320.000  1.410
   59    60   340.000  1.090
   59    62   268.000  1.529
   59    65   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    45   268.000  1.529
   45    50   275.000  1.510
   45    51   268.000  1.529
   50    56   260.000  1.509
   50    61   335.000  1.432
   56    57   340.000  1.088
   56    58   340.000  1.088
   56    61   335.000  1.432
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   65    66   340.000  1.090
   65    67   317.000  1.510
   67    68   549.000  1.340
   67    71   317.000  1.510
   68    69   340.000  1.080
   68    70   340.000  1.080
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   46    47   553.000  0.945
   41    42   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    41    50.00000  109.50000
   33    50    45    58.35000  112.70000
   33    50    56    60.00000  120.94000
   33    50    61    80.00000  116.47100
   38    33    34    37.50000  110.70000
   38    40    43    58.35000  112.70000
   38    40    45    58.35000  112.70000
   38    40    46    50.00000  109.50000
   38    41    42    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    48    63.00000  111.10000
   40    43    65    58.35000  112.70000
   40    45    62    58.35000  112.70000
   40    45    50    70.00000  112.37300
   40    45    51    58.35000  112.70000
   40    46    47    55.00000  108.50000
   43    48    49    80.00000  120.40000
   43    48    55    81.00000  111.40000
   43    65    59    58.35000  112.70000
   43    65    66    37.50000  110.70000
   43    65    67    70.00000  112.02700
   48    43    44    35.00000  109.50000
   48    55    59    83.00000  116.90000
   55    48    49    83.00000  123.40000
   55    59    60    35.00000  109.50000
   55    59    62    50.00000  109.50000
   55    59    65    50.00000  109.50000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    45    58.35000  112.70000
   59    65    66    37.50000  110.70000
   59    65    67    70.00000  112.02700
   62    59    60    37.50000  110.70000
   62    45    50    70.00000  112.37300
   62    45    51    58.35000  112.70000
   64    62    63    33.00000  107.80000
   45    40    43    58.35000  112.70000
   45    62    63    37.50000  110.70000
   45    62    64    37.50000  110.70000
   45    50    56    60.00000  120.94000
   45    50    61    80.00000  116.47100
   45    51    52    37.50000  110.70000
   45    51    53    37.50000  110.70000
   45    51    54    37.50000  110.70000
   50    33    34    45.00000  109.38400
   50    33    38    70.00000  112.37300
   50    56    57    37.50000  117.20000
   50    56    58    37.50000  117.20000
   50    56    61    15.00000   60.43100
   50    61    56    15.00000   59.14900
   58    56    57    35.00000  114.30000
   61    50    56    15.00000   60.43100
   61    56    57    50.00000  114.27700
   61    56    58    50.00000  114.27700
   51    45    50    70.00000  112.37300
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   65    43    44    37.50000  110.70000
   65    43    48    63.00000  111.10000
   65    59    60    37.50000  110.70000
   65    59    62    58.35000  112.70000
   65    67    68    70.00000  124.00000
   65    67    71    65.00000  117.92700
   67    65    66    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    35.00000  120.00000
   67    71    72    35.00000  109.50000
   67    71    73    35.00000  109.50000
   67    71    74    35.00000  109.50000
   70    68    69    35.00000  117.00000
   71    67    68    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   46    40    43    50.00000  109.50000
   46    40    45    50.00000  109.50000
   41    38    39    35.00000  109.50000
   41    38    40    50.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    45   0.44750  1.0 1.0
   29    33    50    45  -0.17800 -1.0 2.0
   29    33    50    45   0.20200  1.0 3.0
   29    33    50    56   0.44750  1.0 1.0
   29    33    50    56  -0.17800 -1.0 2.0
   29    33    50    56   0.20200  1.0 3.0
   29    33    50    61   0.56750  1.0 1.0
   29    33    50    61  -0.07550 -1.0 2.0
   29    33    50    61   0.20000  1.0 3.0
   33    38    40    43   0.56750  1.0 1.0
   33    38    40    43  -0.07550 -1.0 2.0
   33    38    40    43   0.20000  1.0 3.0
   33    38   -40    45   0.56750  1.0 1.0
   33    38   -40    45  -0.07550 -1.0 2.0
   33    38   -40    45   0.20000  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    41    42  -0.11600  1.0 1.0
   33    38    41    42  -0.09450 -1.0 2.0
   33    38    41    42   0.21250  1.0 3.0
   33    50    56    57   0.15000  1.0 3.0
   33    50    56    58   0.15000  1.0 3.0
   33    50   -56    61   0.02550  1.0 1.0
   33    50   -56    61  -0.02600 -1.0 2.0
   33    50   -56    61   1.20400  1.0 3.0
   33    50   -61    56   0.06250  1.0 1.0
   33    50   -61    56  -0.01100 -1.0 2.0
   33    50   -61    56   0.28050  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    50    45   0.15000  1.0 3.0
   34    33    50    56   0.15000  1.0 3.0
   34    33    50    61   0.23400  1.0 3.0
   38    33   -50    45   0.56750  1.0 1.0
   38    33   -50    45  -0.07550 -1.0 2.0
   38    33   -50    45   0.20000  1.0 3.0
   38    33    50    56   0.07850  1.0 1.0
   38    33    50    56  -0.03950 -1.0 2.0
   38    33    50    56   0.67350  1.0 3.0
   38    33    50    61   0.02550  1.0 1.0
   38    33    50    61  -0.02600 -1.0 2.0
   38    33    50    61   1.20400  1.0 3.0
   38    40    43    44   0.15000  1.0 3.0
   38    40    43    48  -0.95700  1.0 1.0
   38    40    43    48  -0.18200 -1.0 2.0
   38    40    43    48   0.29450  1.0 3.0
   38    40    43    65   0.56750  1.0 1.0
   38    40    43    65  -0.07550 -1.0 2.0
   38    40    43    65   0.20000  1.0 3.0
   38    40    45    62   0.56750  1.0 1.0
   38    40    45    62  -0.07550 -1.0 2.0
   38    40    45    62   0.20000  1.0 3.0
   38    40   -45    50   0.47050  1.0 1.0
   38    40   -45    50   0.03900 -1.0 2.0
   38    40   -45    50   0.20100  1.0 3.0
   38    40    45    51   0.56750  1.0 1.0
   38    40    45    51  -0.07550 -1.0 2.0
   38    40    45    51   0.20000  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    43   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    41    42   0.19450  1.0 3.0
   40    38    41    42  -0.11600  1.0 1.0
   40    38    41    42  -0.09450 -1.0 2.0
   40    38    41    42   0.21250  1.0 3.0
   40    43    48    49   0.30150 -1.0 2.0
   40    43    48    55   0.36750  1.0 3.0
   40    43    65    59   0.56750  1.0 1.0
   40    43    65    59  -0.07550 -1.0 2.0
   40    43    65    59   0.20000  1.0 3.0
   40    43    65    66   0.15000  1.0 3.0
   40    43    65    67   0.34400  1.0 1.0
   40    43    65    67   0.09450 -1.0 2.0
   40    43    65    67   0.11100  1.0 3.0
   40    45   -50    33   0.56750  1.0 1.0
   40    45   -50    33  -0.07550 -1.0 2.0
   40    45   -50    33   0.20000  1.0 3.0
   40    45    50    56   0.07850  1.0 1.0
   40    45    50    56  -0.03950 -1.0 2.0
   40    45    50    56   0.67350  1.0 3.0
   40    45    50    61   0.02550  1.0 1.0
   40    45    50    61  -0.02600 -1.0 2.0
   40    45    50    61   1.20400  1.0 3.0
   40    45    51    52   0.15000  1.0 3.0
   40    45    51    53   0.15000  1.0 3.0
   40    45    51    54   0.15000  1.0 3.0
   43    40    45    62   0.56750  1.0 1.0
   43    40    45    62  -0.07550 -1.0 2.0
   43    40    45    62   0.20000  1.0 3.0
   43    40    45    50   0.47050  1.0 1.0
   43    40    45    50   0.03900 -1.0 2.0
   43    40    45    50   0.20100  1.0 3.0
   43    40    45    51   0.56750  1.0 1.0
   43    40    45    51  -0.07550 -1.0 2.0
   43    40    45    51   0.20000  1.0 3.0
   43    40    46    47  -0.11600  1.0 1.0
   43    40    46    47  -0.09450 -1.0 2.0
   43    40    46    47   0.21250  1.0 3.0
   43    48   -55    59   1.63150  1.0 1.0
   43    48   -55    59   2.92000 -1.0 2.0
   43    65    67    68   0.09850  1.0 1.0
   43    65    67    68   0.15250 -1.0 2.0
   43    65    67    68  -0.50650  1.0 3.0
   43    65    67    71   0.46850  1.0 1.0
   43    65    67    71   0.08550 -1.0 2.0
   43    65    67    71   0.09800  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    55   0.00000  1.0 1.0
   44    43    65    59   0.15000  1.0 3.0
   44    43    65    66   0.15000  1.0 3.0
   44    43    65    67   0.15000  1.0 3.0
   48    43   -65    59  -0.95700  1.0 1.0
   48    43   -65    59  -0.18200 -1.0 2.0
   48    43   -65    59   0.29450  1.0 3.0
   48    43    65    66  -0.11250  1.0 3.0
   48    43    65    67  -0.98800  1.0 1.0
   48    43    65    67   0.48800 -1.0 2.0
   48    43    65    67   0.76800  1.0 3.0
   48    55    59    60   0.08050  1.0 3.0
   48    55    59    62  -0.25900  1.0 1.0
   48    55    59    62  -0.47000 -1.0 2.0
   48    55    59    62   0.11750  1.0 3.0
   48    55   -59    65  -0.25900  1.0 1.0
   48    55   -59    65  -0.47000 -1.0 2.0
   48    55   -59    65   0.11750  1.0 3.0
   49    48    55    59   3.00000 -1.0 2.0
   55    59    62    63   0.23400  1.0 3.0
   55    59    62    64   0.23400  1.0 3.0
   55    59    62    45   0.62750  1.0 1.0
   55    59    62    45  -0.30950 -1.0 2.0
   55    59    62    45   0.27300  1.0 3.0
   55    59   -65    43   0.62750  1.0 1.0
   55    59   -65    43  -0.30950 -1.0 2.0
   55    59   -65    43   0.27300  1.0 3.0
   55    59    65    66   0.23400  1.0 3.0
   55    59    65    67   0.61850  1.0 1.0
   55    59    65    67  -0.22750 -1.0 2.0
   55    59    65    67   0.15300  1.0 3.0
   59    62   -45    40   0.56750  1.0 1.0
   59    62   -45    40  -0.07550 -1.0 2.0
   59    62   -45    40   0.20000  1.0 3.0
   59    62    45    50   0.47050  1.0 1.0
   59    62    45    50   0.03900 -1.0 2.0
   59    62    45    50   0.20100  1.0 3.0
   59    62    45    51   0.56750  1.0 1.0
   59    62    45    51  -0.07550 -1.0 2.0
   59    62    45    51   0.20000  1.0 3.0
   59    65    67    68   0.09850  1.0 1.0
   59    65    67    68   0.15250 -1.0 2.0
   59    65    67    68  -0.50650  1.0 3.0
   59    65    67    71   0.46850  1.0 1.0
   59    65    67    71   0.08550 -1.0 2.0
   59    65    67    71   0.09800  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    45   0.15000  1.0 3.0
   60    59    65    43   0.15000  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   62    59   -65    43   0.56750  1.0 1.0
   62    59   -65    43  -0.07550 -1.0 2.0
   62    59   -65    43   0.20000  1.0 3.0
   62    59    65    66   0.15000  1.0 3.0
   62    59    65    67   0.34400  1.0 1.0
   62    59    65    67   0.09450 -1.0 2.0
   62    59    65    67   0.11100  1.0 3.0
   62    45    50    33   0.56750  1.0 1.0
   62    45    50    33  -0.07550 -1.0 2.0
   62    45    50    33   0.20000  1.0 3.0
   62    45    50    56   0.07850  1.0 1.0
   62    45    50    56  -0.03950 -1.0 2.0
   62    45    50    56   0.67350  1.0 3.0
   62    45    50    61   0.02550  1.0 1.0
   62    45    50    61  -0.02600 -1.0 2.0
   62    45    50    61   1.20400  1.0 3.0
   62    45    51    52   0.15000  1.0 3.0
   62    45    51    53   0.15000  1.0 3.0
   62    45    51    54   0.15000  1.0 3.0
   63    62    45    40   0.15000  1.0 3.0
   63    62    45    50   0.15000  1.0 3.0
   63    62    45    51   0.15000  1.0 3.0
   64    62    45    40   0.15000  1.0 3.0
   64    62    45    50   0.15000  1.0 3.0
   64    62    45    51   0.15000  1.0 3.0
   45    40    43    44   0.15000  1.0 3.0
   45    40    43    48  -0.95700  1.0 1.0
   45    40    43    48  -0.18200 -1.0 2.0
   45    40    43    48   0.29450  1.0 3.0
   45    40    43    65   0.56750  1.0 1.0
   45    40    43    65  -0.07550 -1.0 2.0
   45    40    43    65   0.20000  1.0 3.0
   45    40    46    47  -0.11600  1.0 1.0
   45    40    46    47  -0.09450 -1.0 2.0
   45    40    46    47   0.21250  1.0 3.0
   45    50    56    57   0.15000  1.0 3.0
   45    50    56    58   0.15000  1.0 3.0
   45    50   -56    61   0.02550  1.0 1.0
   45    50   -56    61  -0.02600 -1.0 2.0
   45    50   -56    61   1.20400  1.0 3.0
   45    50   -61    56   0.06250  1.0 1.0
   45    50   -61    56  -0.01100 -1.0 2.0
   45    50   -61    56   0.28050  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.47050  1.0 1.0
   50    33   -38    40   0.03900 -1.0 2.0
   50    33   -38    40   0.20100  1.0 3.0
   50    33    38    41   0.86500  1.0 1.0
   50    33    38    41  -0.17500 -1.0 2.0
   50    33    38    41   0.20800  1.0 3.0
   50    45    51    52   0.15000  1.0 3.0
   50    45    51    53   0.15000  1.0 3.0
   50    45    51    54   0.15000  1.0 3.0
   57    56   -61    50   0.36800  1.0 3.0
   58    56   -61    50   0.36800  1.0 3.0
   61    50   -56    57   0.23400  1.0 3.0
   61    50   -56    58   0.23400  1.0 3.0
   51    45    50    33   0.56750  1.0 1.0
   51    45    50    33  -0.07550 -1.0 2.0
   51    45    50    33   0.20000  1.0 3.0
   51    45    50    56   0.07850  1.0 1.0
   51    45    50    56  -0.03950 -1.0 2.0
   51    45    50    56   0.67350  1.0 3.0
   51    45    50    61   0.02550  1.0 1.0
   51    45    50    61  -0.02600 -1.0 2.0
   51    45    50    61   1.20400  1.0 3.0
   65    43    48    49   0.30150 -1.0 2.0
   65    43   -48    55   0.36750  1.0 3.0
   65    59    62    63   0.15000  1.0 3.0
   65    59    62    64   0.15000  1.0 3.0
   65    59   -62    45   0.56750  1.0 1.0
   65    59   -62    45  -0.07550 -1.0 2.0
   65    59   -62    45   0.20000  1.0 3.0
   65    67    68    69   7.00000 -1.0 2.0
   65    67    68    70   7.00000 -1.0 2.0
   65    67    71    72   0.34800  1.0 3.0
   65    67    71    73   0.34800  1.0 3.0
   65    67    71    74   0.34800  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    71   0.34800  1.0 3.0
   68    67    71    72   0.00000  1.0 1.0
   68    67    71    73   0.00000  1.0 1.0
   68    67    71    74   0.00000  1.0 1.0
   71    67    68    69   7.00000 -1.0 2.0
   71    67    68    70   7.00000 -1.0 2.0
   46    40    43    44   0.23400  1.0 3.0
   46    40    43    48  -0.09450  1.0 1.0
   46    40    43    48  -1.12950 -1.0 2.0
   46    40    43    48   0.54000  1.0 3.0
   46    40    43    65   0.86500  1.0 1.0
   46    40    43    65  -0.17500 -1.0 2.0
   46    40    43    65   0.20800  1.0 3.0
   46    40    45    62   0.86500  1.0 1.0
   46    40    45    62  -0.17500 -1.0 2.0
   46    40    45    62   0.20800  1.0 3.0
   46    40    45    50   0.86500  1.0 1.0
   46    40    45    50  -0.17500 -1.0 2.0
   46    40    45    50   0.20800  1.0 3.0
   46    40    45    51   0.86500  1.0 1.0
   46    40    45    51  -0.17500 -1.0 2.0
   46    40    45    51   0.20800  1.0 3.0
   41    38    40    43   0.86500  1.0 1.0
   41    38    40    43  -0.17500 -1.0 2.0
   41    38    40    43   0.20800  1.0 3.0
   41    38    40    45   0.86500  1.0 1.0
   41    38    40    45  -0.17500 -1.0 2.0
   41    38    40    45   0.20800  1.0 3.0
   41    38    40    46   3.75450  1.0 1.0
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
   43    55    48    49  10.50000 -1.0 2.0
   65    71    67    68  15.00000 -1.0 2.0
   69    70    68    67  15.00000 -1.0 2.0
END
