* LIGAND DATABASE FILE (OPLS2005)
*
001      73    75    145    233     432
    1     0 S   NP   _N1_     1    30.67719    99.76699   -24.92809
    2     1 S   H    _HN1     2     1.03481   156.29641   -92.49131
    3     1 S   H    _H1_     3     1.02855    52.47676   -52.83626
    4     1 S   H    _H2_     4     1.02760    71.36240   176.23985
    5     1 S   CT   _CA1     5     1.50065    89.95050    63.94658
    6     5 S   HC   _HA1     6     1.09552   104.89485   129.71345
    7     5 S   CO3  _C1_     7     1.53650   113.25013     9.12832
    8     7 S   O2Z  _O11     8     1.26394   115.08200   -33.89123
    9     7 S   O2Z  _O12     9     1.26237   114.99801   145.40366
   10     5 S   CT   _CB1    10     1.53028   107.46364  -111.90480
   11    10 S   HC   HB11    11     1.09564   109.41379   -40.56552
   12    10 S   HC   HB12    12     1.09835   110.40148    75.01012
   13    10 S   CT   _CG1    13     1.53264   112.99428  -163.21260
   14    13 S   HC   HG11    14     1.09550   110.86776   -96.07486
   15    13 S   HC   HG12    15     1.09620   111.64708    23.20144
   16    13 S   C    _CD1    16     1.51540   109.45822   143.82703
   17    16 S   O    _OE1    17     1.22781   121.91782    88.24945
   18    16 S   N    _N2_    18     1.38570   112.40617   -88.50273
   19    18 S   H    _HN2    19     1.01574   119.02391    -4.09811
   20    18 S   CT1  _CA2    20     1.46159   123.66650   173.62576
   21    20 S   HC   _HA2    21     1.09718   109.19810   -12.62148
   22    20 S   C    _C2_    22     1.53803   108.44816  -128.24575
   23    22 S   O    _O2_    23     1.23054   122.21555  -154.04275
   24    20 S   CT   _CB2    32     1.53501   111.88996   109.93588
   25    24 S   HC   HB21    33     1.09346   109.78066    57.48367
   26    24 S   HC   HB22    34     1.09497   109.55330   175.49937
   27    22 S   N    _N3_    24     1.38362   113.82469    32.83414
   28    27 S   H    _HN3    25     1.01459   119.08261    -1.50909
   29    24 S   S    _SG2    35     1.82873   111.79420   -65.78360
   30    27 S   CT   _CA3    26     1.45332   123.50319   178.34732
   31    30 S   HC   HA31    27     1.09545   107.16125   -72.44934
   32    30 S   HC   HA32    28     1.09552   108.33739    43.98612
   33    29 S   CT   _C10    36     1.86170   102.75072   154.20092
   34    30 S   CO3  _C3_    29     1.53055   114.27720   166.13082
   35    34 S   O2Z  _O31    30     1.26436   116.30094    -5.85648
   36    34 S   O2Z  _O32    31     1.26392   114.46960   174.28502
   37    33 S   CM   _C17    37     1.53236   105.24626   -89.12948
   38    33 S   CT   _C9_    54     1.55528   112.82530    40.54082
   39    38 S   HC   _H12    55     1.09365   114.02168     6.95677
   40    38 S   HC   _H13    56     1.09509   111.28807  -112.95820
   41    37 S   CMA  _C16    38     1.35143   112.99381  -104.88056
   42    41 S   OM   _O33    39     1.25794   135.24838   178.85090
   43    37 S   CT   _C18    70     1.49885   122.70278    74.93086
   44    43 S   HC   _H22    71     1.09275   110.92950   -72.16644
   45    43 S   HC   _H23    72     1.09516   111.97989   168.31888
   46    43 S   HC   _H24    73     1.09309   111.22813    49.06970
   47    41 S   CT   _C15    40     1.51440   110.41815    -1.49384
   48    47 S   HC   _H20    41     1.09494   108.10815   104.11933
   49    47 S   HC   _H21    42     1.09663   113.31327  -136.28815
   50    33 S   CT   _C11    43     1.59380   117.25362   160.19837
   51    50 S   CT   _C5_    44     1.57932   116.06695   -38.36346
   52    51 S   HC   _H3_    45     1.09507   106.75893  -167.56711
   53    51 S   CT   _C6_    46     1.54430   111.56261   -51.10861
   54    53 S   HC   _H8_    47     1.09755   109.63181  -162.33324
   55    53 S   HC   _H9_    48     1.09530   110.04083    82.57809
   56    51 S   CT   _C4_    66     1.53584   118.94432    78.99897
   57    56 S   HC   _H5_    67     1.08793   114.25867   -63.62950
   58    56 S   HC   _H6_    68     1.09701   109.66463   176.96888
   59    56 S   HC   _H7_    69     1.09363   111.55267    59.71965
   60    53 S   CT   _C7_    49     1.53306   114.42648   -39.81760
   61    60 S   HC   _H10    50     1.09745   108.80300   157.38241
   62    60 S   HC   _H11    51     1.09615   109.17678   -88.44122
   63    60 S   CT   _C8_    52     1.54069   114.30477    34.42790
   64    63 S   HC   _H4_    53     1.09643   108.53558  -178.13198
   65    50 S   CT   _C12    57     1.61235   102.34366  -154.28872
   66    65 S   CT   _C13    58     1.54875   115.44200   169.03339
   67    66 S   HC   _H14    59     1.09561   110.57226    61.00908
   68    66 S   HC   _H15    60     1.09110   115.05561   -60.89254
   69    66 S   HC   _H16    61     1.09699   110.74315  -179.97202
   70    65 S   CT   _C14    62     1.55531   117.45818   -68.50359
   71    70 S   HC   _H17    63     1.09502   111.35825   -65.07464
   72    70 S   HC   _H18    64     1.09777   110.27676   176.66440
   73    70 S   HC   _H19    65     1.09071   114.63928    58.48051
  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  12   5   4   3
  24   2   1   1  16  16   6   5  11   5   5   2   1   1  11   4
   3  21  15   9  12   6   5   5   2   1   1   7   4   3  10   3
   8   7   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    47    50    51    63    38    39    40    65    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    47    48    49    50    51    52    53    60    63    64    38    39    40    65    66    70    56    43    44    45    46  
   35    36  
   36  
    0  
   41    42    47    48    49    50    51    63    38    39    40    65    43    44    45    46  
   39    40    65    66    70    43    41    47    50    51    53    60    61    62    63    64  
   40    65    50    60    63    64  
   65    50    60    63    64  
   42    47    48    49    50    51    65    43    44    45    46  
   47    48    49    50    43  
   44    45    46    47    50  
   45    46  
   46  
    0  
   48    49    50    51    52    53    63    65    66    70    56  
   49    50    51    65  
   50    51    65  
   51    52    53    54    55    60    63    64    65    66    67    68    69    70    71    72    73    56    57    58    59  
   52    53    54    55    60    61    62    63    65    66    70    56    57    58    59  
   53    54    55    60    65    56    57    58    59  
   54    55    60    61    62    63    64    65    56    57    58    59  
   55    60    61    62    63    56  
   60    61    62    63    56  
   57    58    59    60    65  
   58    59  
   59  
    0  
   61    62    63    64    65    66    70  
   62    63    64    65  
   63    64    65  
   64    65    66    67    68    69    70    71    72    73  
   65    66    70  
   66    67    68    69    70    71    72    73  
   67    68    69    70    71    72    73  
   68    69    70  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.510
   33    50   268.000  1.529
   33    38   268.000  1.529
   37    41   465.000  1.376
   37    43   317.000  1.510
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   268.000  1.529
   50    65   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    38   268.000  1.529
   63    65   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   65    66   268.000  1.529
   65    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    41    70.00000  124.00000
   33    37    43    65.00000  117.92700
   33    50    47    58.35000  112.70000
   33    50    51    58.35000  112.70000
   33    50    65    58.35000  112.70000
   33    38    63    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   37    41    42    65.00000  137.10300
   37    41    47    65.00000  122.18000
   37    43    44    35.00000  109.50000
   37    43    45    35.00000  109.50000
   37    43    46    35.00000  109.50000
   41    47    48    45.00000  110.52000
   41    47    49    45.00000  110.52000
   41    47    50    70.00000  112.02700
   47    41    42    85.00000  112.85300
   47    50    51    58.35000  112.70000
   47    50    65    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  112.02700
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    51    52    37.50000  110.70000
   50    51    53    58.35000  112.70000
   50    51    56    58.35000  112.70000
   50    65    63    58.35000  112.70000
   50    65    66    58.35000  112.70000
   50    65    70    58.35000  112.70000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    60    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    59    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    38    58.35000  112.70000
   60    63    65    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    38    39    37.50000  110.70000
   63    38    40    37.50000  110.70000
   63    65    66    58.35000  112.70000
   63    65    70    58.35000  112.70000
   38    33    37    70.00000  112.02700
   38    33    50    58.35000  112.70000
   38    63    64    37.50000  110.70000
   40    38    39    33.00000  107.80000
   65    50    51    58.35000  112.70000
   65    63    64    37.50000  110.70000
   65    63    38    58.35000  112.70000
   65    66    67    37.50000  110.70000
   65    66    68    37.50000  110.70000
   65    66    69    37.50000  110.70000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    73    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    65    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   43    37    41    70.00000  124.00000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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
   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    37    43   0.30250  1.0 1.0
   29    33    37    43  -0.14950 -1.0 2.0
   29    33    37    43   0.36900  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.44750  1.0 1.0
   29    33    50    51  -0.17800 -1.0 2.0
   29    33    50    51   0.20200  1.0 3.0
   29    33    50    65   0.44750  1.0 1.0
   29    33    50    65  -0.17800 -1.0 2.0
   29    33    50    65   0.20200  1.0 3.0
   29    33    38    63   0.44750  1.0 1.0
   29    33    38    63  -0.17800 -1.0 2.0
   29    33    38    63   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37   -41    47   7.00000 -1.0 2.0
   33    37    43    44   0.34800  1.0 3.0
   33    37    43    45   0.34800  1.0 3.0
   33    37    43    46   0.34800  1.0 3.0
   33    50    51    52   0.15000  1.0 3.0
   33    50    51    53   0.56750  1.0 1.0
   33    50    51    53  -0.07550 -1.0 2.0
   33    50    51    53   0.20000  1.0 3.0
   33    50    51    56   0.56750  1.0 1.0
   33    50    51    56  -0.07550 -1.0 2.0
   33    50    51    56   0.20000  1.0 3.0
   33    50   -65    63   0.56750  1.0 1.0
   33    50   -65    63  -0.07550 -1.0 2.0
   33    50   -65    63   0.20000  1.0 3.0
   33    50    65    66   0.56750  1.0 1.0
   33    50    65    66  -0.07550 -1.0 2.0
   33    50    65    66   0.20000  1.0 3.0
   33    50    65    70   0.56750  1.0 1.0
   33    50    65    70  -0.07550 -1.0 2.0
   33    50    65    70   0.20000  1.0 3.0
   37    33   -50    47   0.34400  1.0 1.0
   37    33   -50    47   0.09450 -1.0 2.0
   37    33   -50    47   0.11100  1.0 3.0
   37    33    50    51   0.34400  1.0 1.0
   37    33    50    51   0.09450 -1.0 2.0
   37    33    50    51   0.11100  1.0 3.0
   37    33    50    65   0.34400  1.0 1.0
   37    33    50    65   0.09450 -1.0 2.0
   37    33    50    65   0.11100  1.0 3.0
   37    33    38    63   0.34400  1.0 1.0
   37    33    38    63   0.09450 -1.0 2.0
   37    33    38    63   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41   -47    50   0.09850  1.0 1.0
   37    41   -47    50   0.15250 -1.0 2.0
   37    41   -47    50  -0.50650  1.0 3.0
   41    37    43    44   0.00000  1.0 1.0
   41    37    43    45   0.00000  1.0 1.0
   41    37    43    46   0.00000  1.0 1.0
   41    47   -50    33   0.34400  1.0 1.0
   41    47   -50    33   0.09450 -1.0 2.0
   41    47   -50    33   0.11100  1.0 3.0
   41    47    50    51   0.34400  1.0 1.0
   41    47    50    51   0.09450 -1.0 2.0
   41    47    50    51   0.11100  1.0 3.0
   41    47    50    65   0.34400  1.0 1.0
   41    47    50    65   0.09450 -1.0 2.0
   41    47    50    65   0.11100  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.09700  1.0 1.0
   42    41    47    50   0.15600 -1.0 2.0
   42    41    47    50  -0.50800  1.0 3.0
   47    50    51    52   0.15000  1.0 3.0
   47    50    51    53   0.56750  1.0 1.0
   47    50    51    53  -0.07550 -1.0 2.0
   47    50    51    53   0.20000  1.0 3.0
   47    50    51    56   0.56750  1.0 1.0
   47    50    51    56  -0.07550 -1.0 2.0
   47    50    51    56   0.20000  1.0 3.0
   47    50    65    63   0.56750  1.0 1.0
   47    50    65    63  -0.07550 -1.0 2.0
   47    50    65    63   0.20000  1.0 3.0
   47    50    65    66   0.56750  1.0 1.0
   47    50    65    66  -0.07550 -1.0 2.0
   47    50    65    66   0.20000  1.0 3.0
   47    50    65    70   0.56750  1.0 1.0
   47    50    65    70  -0.07550 -1.0 2.0
   47    50    65    70   0.20000  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    65   0.15000  1.0 3.0
   49    47    50    33   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    65   0.15000  1.0 3.0
   50    33   -37    41   0.09850  1.0 1.0
   50    33   -37    41   0.15250 -1.0 2.0
   50    33   -37    41  -0.50650  1.0 3.0
   50    33    37    43   0.46850  1.0 1.0
   50    33    37    43   0.08550 -1.0 2.0
   50    33    37    43   0.09800  1.0 3.0
   50    33   -38    63   0.56750  1.0 1.0
   50    33   -38    63  -0.07550 -1.0 2.0
   50    33   -38    63   0.20000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33    38    40   0.15000  1.0 3.0
   50    51    53    54   0.15000  1.0 3.0
   50    51    53    55   0.15000  1.0 3.0
   50    51    53    60   0.56750  1.0 1.0
   50    51    53    60  -0.07550 -1.0 2.0
   50    51    53    60   0.20000  1.0 3.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    59   0.15000  1.0 3.0
   50    65    66    67   0.15000  1.0 3.0
   50    65    66    68   0.15000  1.0 3.0
   50    65    66    69   0.15000  1.0 3.0
   50    65    70    71   0.15000  1.0 3.0
   50    65    70    72   0.15000  1.0 3.0
   50    65    70    73   0.15000  1.0 3.0
   51    50    65    63   0.56750  1.0 1.0
   51    50    65    63  -0.07550 -1.0 2.0
   51    50    65    63   0.20000  1.0 3.0
   51    50    65    66   0.56750  1.0 1.0
   51    50    65    66  -0.07550 -1.0 2.0
   51    50    65    66   0.20000  1.0 3.0
   51    50    65    70   0.56750  1.0 1.0
   51    50    65    70  -0.07550 -1.0 2.0
   51    50    65    70   0.20000  1.0 3.0
   51    53    60    61   0.15000  1.0 3.0
   51    53    60    62   0.15000  1.0 3.0
   51    53   -60    63   0.56750  1.0 1.0
   51    53   -60    63  -0.07550 -1.0 2.0
   51    53   -60    63   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    60   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60    63    38   0.56750  1.0 1.0
   53    60    63    38  -0.07550 -1.0 2.0
   53    60    63    38   0.20000  1.0 3.0
   53    60    63    65   0.56750  1.0 1.0
   53    60    63    65  -0.07550 -1.0 2.0
   53    60    63    65   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63    38    33   0.56750  1.0 1.0
   60    63    38    33  -0.07550 -1.0 2.0
   60    63    38    33   0.20000  1.0 3.0
   60    63    38    39   0.15000  1.0 3.0
   60    63    38    40   0.15000  1.0 3.0
   60    63   -65    50   0.56750  1.0 1.0
   60    63   -65    50  -0.07550 -1.0 2.0
   60    63   -65    50   0.20000  1.0 3.0
   60    63    65    66   0.56750  1.0 1.0
   60    63    65    66  -0.07550 -1.0 2.0
   60    63    65    66   0.20000  1.0 3.0
   60    63    65    70   0.56750  1.0 1.0
   60    63    65    70  -0.07550 -1.0 2.0
   60    63    65    70   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    38   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    38   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   63    65    66    67   0.15000  1.0 3.0
   63    65    66    68   0.15000  1.0 3.0
   63    65    66    69   0.15000  1.0 3.0
   63    65    70    71   0.15000  1.0 3.0
   63    65    70    72   0.15000  1.0 3.0
   63    65    70    73   0.15000  1.0 3.0
   64    63    38    33   0.15000  1.0 3.0
   64    63    38    39   0.15000  1.0 3.0
   64    63    38    40   0.15000  1.0 3.0
   64    63    65    50   0.15000  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    70   0.15000  1.0 3.0
   38    33    37    41   0.09850  1.0 1.0
   38    33    37    41   0.15250 -1.0 2.0
   38    33    37    41  -0.50650  1.0 3.0
   38    33    37    43   0.46850  1.0 1.0
   38    33    37    43   0.08550 -1.0 2.0
   38    33    37    43   0.09800  1.0 3.0
   38    33    50    47   0.56750  1.0 1.0
   38    33    50    47  -0.07550 -1.0 2.0
   38    33    50    47   0.20000  1.0 3.0
   38    33    50    51   0.56750  1.0 1.0
   38    33    50    51  -0.07550 -1.0 2.0
   38    33    50    51   0.20000  1.0 3.0
   38    33   -50    65   0.56750  1.0 1.0
   38    33   -50    65  -0.07550 -1.0 2.0
   38    33   -50    65   0.20000  1.0 3.0
   38    63   -65    50   0.56750  1.0 1.0
   38    63   -65    50  -0.07550 -1.0 2.0
   38    63   -65    50   0.20000  1.0 3.0
   38    63    65    66   0.56750  1.0 1.0
   38    63    65    66  -0.07550 -1.0 2.0
   38    63    65    66   0.20000  1.0 3.0
   38    63    65    70   0.56750  1.0 1.0
   38    63    65    70  -0.07550 -1.0 2.0
   38    63    65    70   0.20000  1.0 3.0
   65    50    51    52   0.15000  1.0 3.0
   65    50   -51    53   0.56750  1.0 1.0
   65    50   -51    53  -0.07550 -1.0 2.0
   65    50   -51    53   0.20000  1.0 3.0
   65    50    51    56   0.56750  1.0 1.0
   65    50    51    56  -0.07550 -1.0 2.0
   65    50    51    56   0.20000  1.0 3.0
   65    63   -38    33   0.56750  1.0 1.0
   65    63   -38    33  -0.07550 -1.0 2.0
   65    63   -38    33   0.20000  1.0 3.0
   65    63    38    39   0.15000  1.0 3.0
   65    63    38    40   0.15000  1.0 3.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    73   0.15000  1.0 3.0
   70    65    66    67   0.15000  1.0 3.0
   70    65    66    68   0.15000  1.0 3.0
   70    65    66    69   0.15000  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    60   0.56750  1.0 1.0
   56    51    53    60  -0.07550 -1.0 2.0
   56    51    53    60   0.20000  1.0 3.0
   43    37    41    42   7.00000 -1.0 2.0
   43    37    41    47   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
END
