* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    141    218     411
    1     0 S   NP   _N1_     1    28.22163    97.82466   -21.45810
    2     1 S   H    _HN1     2     1.02957    70.39376     0.92344
    3     1 S   H    _H1_     3     1.02835    44.74237   144.20063
    4     1 S   H    _H2_     4     1.02776    96.05960  -106.41874
    5     1 S   CT   _CA1     5     1.50126   148.77052    98.14472
    6     5 S   HC   _HA1     6     1.09573   105.21907    91.99091
    7     5 S   CO3  _C1_     7     1.53793   112.37693   -28.21244
    8     7 S   O2Z  _O11     8     1.26367   114.99776   -43.57346
    9     7 S   O2Z  _O12     9     1.26236   114.93642   135.55454
   10     5 S   CT   _CB1    10     1.53099   107.42678  -150.07968
   11    10 S   HC   HB11    11     1.09827   109.35328   -50.38945
   12    10 S   HC   HB12    12     1.09816   110.41498    66.17489
   13    10 S   CT   _CG1    13     1.53012   112.66200  -171.45817
   14    13 S   HC   HG11    14     1.09595   110.48507   -64.06165
   15    13 S   HC   HG12    15     1.09657   109.92724    55.13605
   16    13 S   C    _CD1    16     1.51837   112.33411   175.52123
   17    16 S   O    _OE1    17     1.22745   123.29455    -0.10835
   18    16 S   N    _N2_    18     1.38544   111.67915   179.82754
   19    18 S   H    _HN2    19     1.01563   119.01385     4.80077
   20    18 S   CT1  _CA2    20     1.45890   122.96937   178.07176
   21    20 S   HC   _HA2    21     1.09722   108.97932    22.42370
   22    20 S   C    _C2_    22     1.52868   106.76113   -94.68823
   23    22 S   O    _O2_    23     1.22994   122.93517   -29.88872
   24    20 S   CT   _CB2    32     1.53285   112.05233   145.56973
   25    24 S   HC   HB21    33     1.09370   109.66017    54.33509
   26    24 S   HC   HB22    34     1.09478   109.85814   173.03551
   27    22 S   N    _N3_    24     1.38474   112.65326   152.63466
   28    27 S   H    _HN3    25     1.01651   120.38937    -0.94543
   29    24 S   S    _SG2    35     1.83111   110.43206   -67.21401
   30    27 S   CT   _CA3    26     1.45364   122.44114   178.88022
   31    30 S   HC   HA31    27     1.09562   107.54100   -62.70452
   32    30 S   HC   HA32    28     1.09573   107.86696    53.61228
   33    29 S   CT   _C13    36     1.87727   101.93608   169.25499
   34    30 S   CO3  _C3_    29     1.52893   114.38903   175.66501
   35    34 S   O2Z  _O31    30     1.26331   116.09285     2.00399
   36    34 S   O2Z  _O32    31     1.26454   114.40236  -177.95512
   37    33 S   CM   _C12    37     1.52763   104.62856   168.48977
   38    37 S   HC   _H12    38     1.09159   115.50864   -60.39709
   39    33 S   CM   _C15    67     1.52302   108.43116    53.25747
   40    39 S   HC   _H16    68     1.09254   115.27250    53.24563
   41    33 S   CT   _C14    72     1.54188   107.33233   -71.35949
   42    41 S   HC   _H13    73     1.09501   112.67390    65.69739
   43    41 S   HC   _H14    74     1.09731   111.26651  -174.91481
   44    41 S   HC   _H15    75     1.09731   111.91279   -55.24459
   45    37 S   CM   _C11    39     1.34461   128.03384   120.34452
   46    45 S   HC   _H11    40     1.08589   119.84550    -0.40348
   47    39 S   CMA  _C16    69     1.34897   128.11555  -127.36170
   48    47 S   OM   _O34    70     1.25898   131.06016  -179.76677
   49    47 S   HC   _H17    71     1.08881   113.98433     0.03426
   50    45 S   C3T  _C10    41     1.48517   125.38210   179.49720
   51    50 S   CT   _C9_    42     1.55374   117.56047   -92.49471
   52    50 S   O3T  _O33    52     1.45365   119.49520    48.75331
   53    51 S   CT   _C8_    43     1.54972   111.32590  -138.66195
   54    53 S   HC   _H9_    44     1.09852   110.30491  -168.61243
   55    53 S   HC   _H10    45     1.09983   109.86836    76.26442
   56    51 S   CT   _C17    59     1.54898   112.07081   -19.77929
   57    56 S   HC   _H18    60     1.09581   111.88664    64.46791
   58    56 S   HC   _H19    61     1.09614   111.30761   -56.21287
   59    56 S   HC   _H20    62     1.09649   111.06652  -176.03820
   60    51 S   CT   _C18    63     1.54518   109.90962    99.06744
   61    60 S   HC   _H21    64     1.09601   110.93604   -57.93119
   62    60 S   HC   _H22    65     1.09594   111.21134  -177.80822
   63    60 S   HC   _H23    66     1.09458   112.23517    61.89018
   64    53 S   CT   _C7_    46     1.52414   113.81698   -45.10722
   65    64 S   HC   _H3_    47     1.09498   110.58314   -57.98134
   66    64 S   CT   _C6_    48     1.52435   110.20790    65.13076
   67    66 S   HC   _H7_    49     1.09806   109.52988    71.36519
   68    66 S   HC   _H8_    50     1.09747   108.92449  -173.72280
   69    64 S   OH   _O35    57     1.42581   108.31755  -175.57778
   70    69 S   HO   _H24    58     0.97254   107.48566   179.51382
   71    50 S   C3T  _C5_    51     1.54725   116.97123   113.68426
   72    71 S   CT   _C4_    53     1.50263   121.40498    -9.59046
   73    72 S   HC   _H4_    54     1.09485   112.60434   -34.57170
   74    72 S   HC   _H5_    55     1.09521   110.53959  -154.33735
   75    72 S   HC   _H6_    56     1.09465   110.04093    86.28515
  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  11   5   4   3
  14   2   1   1  14   5   9   4   5   2   1   1  10   4   2   1
   1  22  18  12  18   7   6   9   3   2   1   5   2   1   1   8
   6   9   4   3   2   1   4   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    71    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    53    66    71    52    72    56    60  
   50    51    71    52  
   48    49  
   49  
    0  
   51    53    54    55    64    66    67    68    71    52    72    73    74    75    56    57    58    59    60    61    62    63  
   53    54    55    64    65    66    71    52    72    69    56    57    58    59    60    61    62    63  
   72    73    74    75    56    60    53    64    66    67    68    71  
   54    55    64    65    66    67    68    71    69    70    56    57    58    59    60    61    62    63  
   55    64    65    66    69    56    60  
   64    65    66    69    56    60  
   57    58    59    60    61    62    63    64    71  
   58    59    60  
   59    60  
   60  
   61    62    63    64    71  
   62    63  
   63  
    0  
   65    66    67    68    71    72    69    70  
   66    67    68    71    69    70  
   67    68    71    72    73    74    75    69    70  
   68    71    72    69  
   71    72    69  
   70    71  
    0  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   75   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    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   305.000  1.480
   50    51   275.000  1.510
   50    71   260.000  1.509
   50    52   335.000  1.432
   51    53   268.000  1.529
   51    56   268.000  1.529
   51    60   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   320.000  1.410
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    71   275.000  1.510
   71    52   335.000  1.432
   71    72   275.000  1.510
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   69    70   553.000  0.945
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   335.000  1.111
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   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    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    55.00000  125.06700
   45    37    38    35.00000  120.00000
   45    50    51    65.00000  117.55000
   45    50    71    60.00000  120.58800
   45    50    52    85.00000  114.23300
   50    45    46    40.00000  117.24000
   50    51    53    70.00000  112.37300
   50    51    56    70.00000  112.37300
   50    51    60    70.00000  112.37300
   50    71    66    60.00000  120.94000
   50    71    52    15.00000   60.43100
   50    71    72    60.00000  120.94000
   50    52    71    15.00000   59.14900
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    64    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
   51    60    61    37.50000  110.70000
   51    60    62    37.50000  110.70000
   51    60    63    37.50000  110.70000
   53    64    65    37.50000  110.70000
   53    64    66    58.35000  112.70000
   53    64    69    50.00000  109.50000
   55    53    54    33.00000  107.80000
   64    53    54    37.50000  110.70000
   64    53    55    37.50000  110.70000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    71    70.00000  112.37300
   64    69    70    55.00000  108.50000
   66    64    65    37.50000  110.70000
   66    71    52    80.00000  116.47100
   66    71    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   71    50    51    60.00000  120.94000
   71    66    67    45.00000  109.38400
   71    66    68    45.00000  109.38400
   71    72    73    45.00000  109.38400
   71    72    74    45.00000  109.38400
   71    72    75    45.00000  109.38400
   52    50    51    80.00000  116.47100
   52    50    71    15.00000   60.43100
   72    71    52    80.00000  116.47100
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   69    64    65    35.00000  109.50000
   69    64    66    50.00000  109.50000
   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
   60    51    53    58.35000  112.70000
   60    51    56    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    45.00000  105.30000
   47    39    40    40.00000  120.50800
   49    47    48    50.00000  124.16400
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51   0.09850  1.0 1.0
   37    45    50    51   0.15250 -1.0 2.0
   37    45    50    51  -0.50650  1.0 3.0
   37    45    50    71   0.09850  1.0 1.0
   37    45    50    71   0.15250 -1.0 2.0
   37    45    50    71  -0.50650  1.0 3.0
   37    45    50    52   0.39000  1.0 1.0
   37    45    50    52  -0.05800 -1.0 2.0
   37    45    50    52  -0.55150  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    51    53   0.34400  1.0 1.0
   45    50    51    53   0.09450 -1.0 2.0
   45    50    51    53   0.11100  1.0 3.0
   45    50    51    56   0.34400  1.0 1.0
   45    50    51    56   0.09450 -1.0 2.0
   45    50    51    56   0.11100  1.0 3.0
   45    50    51    60   0.34400  1.0 1.0
   45    50    51    60   0.09450 -1.0 2.0
   45    50    51    60   0.11100  1.0 3.0
   45    50    71    66   0.34400  1.0 1.0
   45    50    71    66   0.09450 -1.0 2.0
   45    50    71    66   0.11100  1.0 3.0
   45    50   -71    52   0.61850  1.0 1.0
   45    50   -71    52  -0.22750 -1.0 2.0
   45    50   -71    52   0.15300  1.0 3.0
   45    50    71    72   0.34400  1.0 1.0
   45    50    71    72   0.09450 -1.0 2.0
   45    50    71    72   0.11100  1.0 3.0
   45    50   -52    71  -0.77900  1.0 1.0
   45    50   -52    71  -0.36900 -1.0 2.0
   45    50   -52    71   0.40400  1.0 3.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    71   0.00000  1.0 1.0
   46    45    50    52   0.00000  1.0 1.0
   50    51    53    54   0.15000  1.0 3.0
   50    51    53    55   0.15000  1.0 3.0
   50    51    53    64   0.47050  1.0 1.0
   50    51    53    64   0.03900 -1.0 2.0
   50    51    53    64   0.20100  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    51    60    61   0.15000  1.0 3.0
   50    51    60    62   0.15000  1.0 3.0
   50    51    60    63   0.15000  1.0 3.0
   50    71    72    73   0.15000  1.0 3.0
   50    71    72    74   0.15000  1.0 3.0
   50    71    72    75   0.15000  1.0 3.0
   51    50    71    66   0.56750  1.0 1.0
   51    50    71    66  -0.07550 -1.0 2.0
   51    50    71    66   0.20000  1.0 3.0
   51    50   -71    52   0.02550  1.0 1.0
   51    50   -71    52  -0.02600 -1.0 2.0
   51    50   -71    52   1.20400  1.0 3.0
   51    50    71    72   0.56750  1.0 1.0
   51    50    71    72  -0.07550 -1.0 2.0
   51    50    71    72   0.20000  1.0 3.0
   51    50   -52    71   0.06250  1.0 1.0
   51    50   -52    71  -0.01100 -1.0 2.0
   51    50   -52    71   0.28050  1.0 3.0
   51    53    64    65   0.15000  1.0 3.0
   51    53   -64    66   0.56750  1.0 1.0
   51    53   -64    66  -0.07550 -1.0 2.0
   51    53   -64    66   0.20000  1.0 3.0
   51    53    64    69   0.86500  1.0 1.0
   51    53    64    69  -0.17500 -1.0 2.0
   51    53    64    69   0.20800  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    51    60    61   0.15000  1.0 3.0
   53    51    60    62   0.15000  1.0 3.0
   53    51    60    63   0.15000  1.0 3.0
   53    64    66    67   0.15000  1.0 3.0
   53    64    66    68   0.15000  1.0 3.0
   53    64    66    71   0.47050  1.0 1.0
   53    64    66    71   0.03900 -1.0 2.0
   53    64    66    71   0.20100  1.0 3.0
   53    64    69    70  -0.11600  1.0 1.0
   53    64    69    70  -0.09450 -1.0 2.0
   53    64    69    70   0.21250  1.0 3.0
   54    53    64    65   0.15000  1.0 3.0
   54    53    64    66   0.15000  1.0 3.0
   54    53    64    69   0.23400  1.0 3.0
   55    53    64    65   0.15000  1.0 3.0
   55    53    64    66   0.15000  1.0 3.0
   55    53    64    69   0.23400  1.0 3.0
   64    66   -71    50   0.07850  1.0 1.0
   64    66   -71    50  -0.03950 -1.0 2.0
   64    66   -71    50   0.67350  1.0 3.0
   64    66    71    52   0.02550  1.0 1.0
   64    66    71    52  -0.02600 -1.0 2.0
   64    66    71    52   1.20400  1.0 3.0
   64    66    71    72   0.56750  1.0 1.0
   64    66    71    72  -0.07550 -1.0 2.0
   64    66    71    72   0.20000  1.0 3.0
   65    64    66    67   0.15000  1.0 3.0
   65    64    66    68   0.15000  1.0 3.0
   65    64    66    71   0.15000  1.0 3.0
   65    64    69    70   0.19450  1.0 3.0
   66    64    69    70  -0.11600  1.0 1.0
   66    64    69    70  -0.09450 -1.0 2.0
   66    64    69    70   0.21250  1.0 3.0
   66    71   -52    50   0.06250  1.0 1.0
   66    71   -52    50  -0.01100 -1.0 2.0
   66    71   -52    50   0.28050  1.0 3.0
   66    71    72    73   0.15000  1.0 3.0
   66    71    72    74   0.15000  1.0 3.0
   66    71    72    75   0.15000  1.0 3.0
   67    66    71    50   0.15000  1.0 3.0
   67    66    71    52   0.23400  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   68    66    71    50   0.15000  1.0 3.0
   68    66    71    52   0.23400  1.0 3.0
   68    66    71    72   0.15000  1.0 3.0
   71    50   -51    53   0.07850  1.0 1.0
   71    50   -51    53  -0.03950 -1.0 2.0
   71    50   -51    53   0.67350  1.0 3.0
   71    50    51    56   0.07850  1.0 1.0
   71    50    51    56  -0.03950 -1.0 2.0
   71    50    51    56   0.67350  1.0 3.0
   71    50    51    60   0.07850  1.0 1.0
   71    50    51    60  -0.03950 -1.0 2.0
   71    50    51    60   0.67350  1.0 3.0
   52    50    51    53   0.02550  1.0 1.0
   52    50    51    53  -0.02600 -1.0 2.0
   52    50    51    53   1.20400  1.0 3.0
   52    50    51    56   0.02550  1.0 1.0
   52    50    51    56  -0.02600 -1.0 2.0
   52    50    51    56   1.20400  1.0 3.0
   52    50    51    60   0.02550  1.0 1.0
   52    50    51    60  -0.02600 -1.0 2.0
   52    50    51    60   1.20400  1.0 3.0
   52    50   -71    66   0.02550  1.0 1.0
   52    50   -71    66  -0.02600 -1.0 2.0
   52    50   -71    66   1.20400  1.0 3.0
   52    50   -71    72   0.02550  1.0 1.0
   52    50   -71    72  -0.02600 -1.0 2.0
   52    50   -71    72   1.20400  1.0 3.0
   52    71    72    73   0.23400  1.0 3.0
   52    71    72    74   0.23400  1.0 3.0
   52    71    72    75   0.23400  1.0 3.0
   72    71   -52    50   0.06250  1.0 1.0
   72    71   -52    50  -0.01100 -1.0 2.0
   72    71   -52    50   0.28050  1.0 3.0
   69    64    66    67   0.23400  1.0 3.0
   69    64    66    68   0.23400  1.0 3.0
   69    64    66    71   0.86500  1.0 1.0
   69    64    66    71  -0.17500 -1.0 2.0
   69    64    66    71   0.20800  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    64   0.56750  1.0 1.0
   56    51    53    64  -0.07550 -1.0 2.0
   56    51    53    64   0.20000  1.0 3.0
   56    51    60    61   0.15000  1.0 3.0
   56    51    60    62   0.15000  1.0 3.0
   56    51    60    63   0.15000  1.0 3.0
   60    51    53    54   0.15000  1.0 3.0
   60    51    53    55   0.15000  1.0 3.0
   60    51    53    64   0.56750  1.0 1.0
   60    51    53    64  -0.07550 -1.0 2.0
   60    51    53    64   0.20000  1.0 3.0
   60    51    56    57   0.15000  1.0 3.0
   60    51    56    58   0.15000  1.0 3.0
   60    51    56    59   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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
   35    30    34    36  10.50000 -1.0 2.0
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
