* LIGAND DATABASE FILE (OPLS2005)
*
001      77    77    141    212     417
    1     0 S   NP   _N1_     1    28.03132    95.13615   -24.49525
    2     1 S   H    _HN1     2     1.02777   107.75491  -114.05043
    3     1 S   H    _H1_     3     1.02957    86.87779    -5.78991
    4     1 S   H    _H2_     4     1.02835    21.82899   152.04066
    5     1 S   CT   _CA1     5     1.50132   127.48932   107.65972
    6     5 S   HC   _HA1     6     1.09575   105.21482    75.33242
    7     5 S   CO3  _C1_     7     1.53785   112.35169   -44.85871
    8     7 S   O2Z  _O11     8     1.26367   114.99640   -44.11435
    9     7 S   O2Z  _O12     9     1.26233   114.93037   134.96618
   10     5 S   CT   _CB1    10     1.53094   107.42145  -166.76052
   11    10 S   HC   HB11    11     1.09828   109.33147   -50.48400
   12    10 S   HC   HB12    12     1.09816   110.42843    66.06986
   13    10 S   CT   _CG1    13     1.53021   112.67622  -171.55059
   14    13 S   HC   HG11    14     1.09593   110.49925   -64.42371
   15    13 S   HC   HG12    15     1.09656   109.91612    54.78274
   16    13 S   C    _CD1    16     1.51841   112.29844   175.15095
   17    16 S   O    _OE1    17     1.22754   123.28735     0.67609
   18    16 S   N    _N2_    18     1.38563   111.73335  -179.35532
   19    18 S   H    _HN2    19     1.01562   119.02728     4.43928
   20    18 S   CT1  _CA2    20     1.45822   122.85925   177.88789
   21    20 S   HC   _HA2    21     1.09733   108.92538    23.67071
   22    20 S   C    _C2_    22     1.52922   107.05812   -93.35425
   23    22 S   O    _O2_    23     1.22970   123.05757   -26.66814
   24    20 S   CT   _CB2    32     1.53203   112.23851   146.79536
   25    24 S   HC   HB21    33     1.09517   110.03878    54.35101
   26    24 S   HC   HB22    34     1.09517   110.12051   173.34999
   27    22 S   N    _N3_    24     1.38493   112.53119   156.10985
   28    27 S   H    _HN3    25     1.01652   120.35638    -2.34059
   29    24 S   S    _SG2    35     1.82587   111.07076   -66.50858
   30    27 S   CT   _CA3    26     1.45358   122.52367   178.55788
   31    30 S   HC   HA31    27     1.09565   107.85652   -54.87825
   32    30 S   HC   HA32    28     1.09560   107.58063    61.47658
   33    29 S   CT   _C10    36     1.84583    99.87072  -171.60780
   34    33 S   HC   _H3_    37     1.09748   107.69250    47.15658
   35    30 S   CO3  _C3_    29     1.52898   114.27957  -176.79937
   36    35 S   O2Z  _O31    30     1.26343   116.04216     0.18557
   37    35 S   O2Z  _O32    31     1.26430   114.42001  -179.86583
   38    33 S   CM   _C4_    38     1.52285   110.45381   163.35709
   39    38 S   CMA  _C5_    39     1.35824   123.32426   128.39766
   40    39 S   OM   _O16    40     1.26417   130.46139  -178.95582
   41    38 S   CT   _C12    74     1.51798   115.62777   -55.28065
   42    41 S   HC   _H28    75     1.09558   110.19536   -43.25637
   43    41 S   HC   _H29    76     1.09477   112.95382  -162.13424
   44    41 S   HC   _H30    77     1.09429   110.94033    77.26597
   45    39 S   CT   _C8_    41     1.53032   119.40660     3.00628
   46    45 S   HC   _H22    42     1.09882   109.24699   142.48670
   47    45 S   HC   _H23    43     1.09964   108.53177  -101.50539
   48    45 S   CT   _C11    44     1.54688   114.66738    21.73904
   49    48 S   HC   _H27    45     1.09912   108.33814    63.43434
   50    33 S   CT   _C9_    46     1.53642   108.38036   -70.21071
   51    50 S   HC   _H24    47     1.09855   110.86534   -40.70669
   52    50 S   HC   _H25    48     1.09459   108.28056    76.32937
   53    48 S   CT   _C18    49     1.56756   112.63980  -177.08107
   54    53 S   CT   _C15    50     1.53989   111.40180  -179.50307
   55    54 S   HC   _H37    51     1.09664   110.75955   173.45060
   56    54 S   HC   _H38    52     1.09492   111.64338   -69.59845
   57    54 S   HC   _H39    53     1.09447   111.88656    52.66607
   58    53 S   CT   _C16    54     1.55303   113.79567   -55.22548
   59    58 S   HC   _H40    55     1.09942   108.74369   177.47563
   60    58 S   HC   _H41    56     1.09707   110.08039    64.72835
   61    53 S   OH   _O18    72     1.43639   108.11774    63.26974
   62    61 S   HO   _H43    73     0.97237   108.11683   177.62019
   63    58 S   CM   _C6_    57     1.50411   115.10953   -58.57250
   64    63 S   HC   _H20    58     1.08585   116.18574    68.03796
   65    63 S   CM   _C7_    59     1.34273   123.64190  -112.99023
   66    65 S   HC   _H21    60     1.08971   117.77587     0.47765
   67    65 S   CT   _C17    61     1.51156   127.29869  -179.92867
   68    67 S   CT   _C13    62     1.53215   109.39379   117.37710
   69    68 S   HC   _H31    63     1.09635   110.90530   175.48916
   70    68 S   HC   _H32    64     1.09670   111.17898    57.64011
   71    68 S   HC   _H33    65     1.09550   111.69688   -63.59799
   72    67 S   CT   _C14    66     1.53271   115.33779    -7.15588
   73    72 S   HC   _H34    67     1.09654   110.76560  -176.15122
   74    72 S   HC   _H35    68     1.09642   111.07424   -58.59448
   75    72 S   HC   _H36    69     1.09519   112.01907    63.25925
   76    67 S   OH   _O17    70     1.43230   106.34652  -126.28348
   77    76 S   HO   _H42    71     0.97238   108.00607  -176.53214
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  13  12   5   5   2   1   1  11   5   4  15
   7   6   2   1  12   9   4   3   2   9   5   4   2   1   7   3
  12   4  10   9   4   3   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    50    51    52    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    45    48    49    50    51    52    53    41    42    43    44  
   38    39    48    50    51    52    41  
   36    37  
   37  
    0  
   39    40    45    46    47    48    50    51    52    41    42    43    44  
   40    45    46    47    48    49    50    53    41    42    43    44  
   45    46    47    48    41  
   42    43    44    45    50  
   43    44  
   44  
    0  
   46    47    48    49    50    51    52    53    54    58    61  
   47    48    49    50    53  
   48    49    50    53  
   49    50    51    52    53    54    55    56    57    58    59    60    63    61    62  
   50    51    52    53    54    58    61  
   51    52    53    54    58    61  
   52    53  
   53  
   54    55    56    57    58    59    60    63    64    65    61    62  
   55    56    57    58    59    60    63    61    62  
   56    57    58    61  
   57    58    61  
   58    61  
   59    60    63    64    65    66    67    61    62  
   60    63    64    65    61  
   63    64    65    61  
   62    63  
    0  
   64    65    66    67    68    72    76  
   65    66    67  
   66    67    68    69    70    71    72    73    74    75    76    77  
   67    68    72    76  
   68    69    70    71    72    73    74    75    76    77  
   69    70    71    72    73    74    75    76    77  
   70    71    72    76  
   71    72    76  
   72    76  
   73    74    75    76    77  
   74    75    76  
   75    76  
   76  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   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
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   465.000  1.376
   38    41   317.000  1.510
   39    40   745.000  1.250
   39    45   270.000  1.512
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    53   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   53    54   268.000  1.529
   53    58   268.000  1.529
   53    61   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   340.000  1.080
   65    67   317.000  1.510
   67    68   268.000  1.529
   67    72   268.000  1.529
   67    76   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   76    77   553.000  0.945
   61    62   553.000  0.945
   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    65.00000  117.92700
   33    50    48    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    52    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    39    40    65.00000  137.10300
   38    39    45    65.00000  122.18000
   38    41    42    35.00000  109.50000
   38    41    43    35.00000  109.50000
   38    41    44    35.00000  109.50000
   39    45    46    45.00000  110.52000
   39    45    47    45.00000  110.52000
   39    45    48    70.00000  112.02700
   45    39    40    85.00000  112.85300
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    53    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    53    54    58.35000  112.70000
   48    53    58    58.35000  112.70000
   48    53    61    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    48    49    37.50000  110.70000
   52    50    51    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    58.35000  112.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    57    37.50000  110.70000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    63    70.00000  112.02700
   53    61    62    55.00000  108.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    53    54    58.35000  112.70000
   58    63    64    35.00000  117.00000
   58    63    65    70.00000  124.00000
   60    58    59    33.00000  107.80000
   63    58    59    35.00000  109.50000
   63    58    60    35.00000  109.50000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  124.00000
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  112.02700
   65    67    72    70.00000  112.02700
   65    67    76    90.00000  110.39200
   67    65    66    35.00000  117.00000
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    37.50000  110.70000
   67    76    77    55.00000  108.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   76    67    68    50.00000  109.50000
   76    67    72    50.00000  109.50000
   61    53    54    50.00000  109.50000
   61    53    58    50.00000  109.50000
   41    38    39    70.00000  124.00000
   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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    52   0.15000  1.0 3.0
   33    38    39    40   7.00000 -1.0 2.0
   33    38    39    45   7.00000 -1.0 2.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    43   0.34800  1.0 3.0
   33    38    41    44   0.34800  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    52   0.15000  1.0 3.0
   38    33    50    48   0.34400  1.0 1.0
   38    33    50    48   0.09450 -1.0 2.0
   38    33    50    48   0.11100  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    52   0.15000  1.0 3.0
   38    39    45    46   0.00000  1.0 1.0
   38    39    45    47   0.00000  1.0 1.0
   38    39   -45    48   0.09850  1.0 1.0
   38    39   -45    48   0.15250 -1.0 2.0
   38    39   -45    48  -0.50650  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   39    38    41    44   0.00000  1.0 1.0
   39    45    48    49   0.15000  1.0 3.0
   39    45    48    50   0.34400  1.0 1.0
   39    45    48    50   0.09450 -1.0 2.0
   39    45    48    50   0.11100  1.0 3.0
   39    45    48    53   0.34400  1.0 1.0
   39    45    48    53   0.09450 -1.0 2.0
   39    45    48    53   0.11100  1.0 3.0
   40    39    45    46   0.00000  1.0 1.0
   40    39    45    47   0.00000  1.0 1.0
   40    39    45    48   0.09700  1.0 1.0
   40    39    45    48   0.15600 -1.0 2.0
   40    39    45    48  -0.50800  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    51   0.15000  1.0 3.0
   45    48    50    52   0.15000  1.0 3.0
   45    48    53    54   0.56750  1.0 1.0
   45    48    53    54  -0.07550 -1.0 2.0
   45    48    53    54   0.20000  1.0 3.0
   45    48    53    58   0.56750  1.0 1.0
   45    48    53    58  -0.07550 -1.0 2.0
   45    48    53    58   0.20000  1.0 3.0
   45    48    53    61   0.86500  1.0 1.0
   45    48    53    61  -0.17500 -1.0 2.0
   45    48    53    61   0.20800  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    53   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    53   0.15000  1.0 3.0
   48    53    54    55   0.15000  1.0 3.0
   48    53    54    56   0.15000  1.0 3.0
   48    53    54    57   0.15000  1.0 3.0
   48    53    58    59   0.15000  1.0 3.0
   48    53    58    60   0.15000  1.0 3.0
   48    53    58    63   0.34400  1.0 1.0
   48    53    58    63   0.09450 -1.0 2.0
   48    53    58    63   0.11100  1.0 3.0
   48    53    61    62  -0.11600  1.0 1.0
   48    53    61    62  -0.09450 -1.0 2.0
   48    53    61    62   0.21250  1.0 3.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    58   0.15000  1.0 3.0
   49    48    53    61   0.23400  1.0 3.0
   50    33   -38    39   0.09850  1.0 1.0
   50    33   -38    39   0.15250 -1.0 2.0
   50    33   -38    39  -0.50650  1.0 3.0
   50    33    38    41   0.46850  1.0 1.0
   50    33    38    41   0.08550 -1.0 2.0
   50    33    38    41   0.09800  1.0 3.0
   50    48    53    54   0.56750  1.0 1.0
   50    48    53    54  -0.07550 -1.0 2.0
   50    48    53    54   0.20000  1.0 3.0
   50    48    53    58   0.56750  1.0 1.0
   50    48    53    58  -0.07550 -1.0 2.0
   50    48    53    58   0.20000  1.0 3.0
   50    48    53    61   0.86500  1.0 1.0
   50    48    53    61  -0.17500 -1.0 2.0
   50    48    53    61   0.20800  1.0 3.0
   53    48    50    33   0.56750  1.0 1.0
   53    48    50    33  -0.07550 -1.0 2.0
   53    48    50    33   0.20000  1.0 3.0
   53    48    50    51   0.15000  1.0 3.0
   53    48    50    52   0.15000  1.0 3.0
   53    58    63    64   0.00000  1.0 1.0
   53    58    63    65   0.09850  1.0 1.0
   53    58    63    65   0.15250 -1.0 2.0
   53    58    63    65  -0.50650  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    63   0.34400  1.0 1.0
   54    53    58    63   0.09450 -1.0 2.0
   54    53    58    63   0.11100  1.0 3.0
   54    53    61    62  -0.11600  1.0 1.0
   54    53    61    62  -0.09450 -1.0 2.0
   54    53    61    62   0.21250  1.0 3.0
   58    53    54    55   0.15000  1.0 3.0
   58    53    54    56   0.15000  1.0 3.0
   58    53    54    57   0.15000  1.0 3.0
   58    53    61    62  -0.11600  1.0 1.0
   58    53    61    62  -0.09450 -1.0 2.0
   58    53    61    62   0.21250  1.0 3.0
   58    63    65    66   7.00000 -1.0 2.0
   58    63    65    67   7.00000 -1.0 2.0
   59    58    63    64   0.33100  1.0 3.0
   59    58    63    65   0.00000  1.0 1.0
   60    58    63    64   0.33100  1.0 3.0
   60    58    63    65   0.00000  1.0 1.0
   63    65    67    68   0.09850  1.0 1.0
   63    65    67    68   0.15250 -1.0 2.0
   63    65    67    68  -0.50650  1.0 3.0
   63    65    67    72   0.09850  1.0 1.0
   63    65    67    72   0.15250 -1.0 2.0
   63    65    67    72  -0.50650  1.0 3.0
   63    65    67    76   0.67800  1.0 1.0
   63    65    67    76   0.47050 -1.0 2.0
   63    65    67    76  -0.62500  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    67   7.00000 -1.0 2.0
   65    67    68    69   0.15000  1.0 3.0
   65    67    68    70   0.15000  1.0 3.0
   65    67    68    71   0.15000  1.0 3.0
   65    67    72    73   0.15000  1.0 3.0
   65    67    72    74   0.15000  1.0 3.0
   65    67    72    75   0.15000  1.0 3.0
   65    67    76    77  -0.07800  1.0 1.0
   65    67    76    77  -0.21500 -1.0 2.0
   65    67    76    77  -0.03150  1.0 3.0
   66    65    67    68   0.00000  1.0 1.0
   66    65    67    72   0.00000  1.0 1.0
   66    65    67    76   0.00000  1.0 1.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   68    67    76    77  -0.11600  1.0 1.0
   68    67    76    77  -0.09450 -1.0 2.0
   68    67    76    77   0.21250  1.0 3.0
   72    67    68    69   0.15000  1.0 3.0
   72    67    68    70   0.15000  1.0 3.0
   72    67    68    71   0.15000  1.0 3.0
   72    67    76    77  -0.11600  1.0 1.0
   72    67    76    77  -0.09450 -1.0 2.0
   72    67    76    77   0.21250  1.0 3.0
   76    67    68    69   0.23400  1.0 3.0
   76    67    68    70   0.23400  1.0 3.0
   76    67    68    71   0.23400  1.0 3.0
   76    67    72    73   0.23400  1.0 3.0
   76    67    72    74   0.23400  1.0 3.0
   76    67    72    75   0.23400  1.0 3.0
   61    53    54    55   0.23400  1.0 3.0
   61    53    54    56   0.23400  1.0 3.0
   61    53    54    57   0.23400  1.0 3.0
   61    53    58    59   0.23400  1.0 3.0
   61    53    58    60   0.23400  1.0 3.0
   61    53    58    63   1.05650  1.0 1.0
   61    53    58    63   0.15600 -1.0 2.0
   61    53    58    63   0.53150  1.0 3.0
   41    38    39    40   7.00000 -1.0 2.0
   41    38    39    45   7.00000 -1.0 2.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    39   1.10000 -1.0 2.0
   45    40    39    38   1.10000 -1.0 2.0
   58    64    63    65  15.00000 -1.0 2.0
   67    66    65    63  15.00000 -1.0 2.0
END
