* LIGAND DATABASE FILE (OPLS2005)
*
001      71    72    130    208     389
    1     0 S   NP   _N1_     1    30.36990    92.80346   -17.28611
    2     1 S   H    _HN1     2     1.03498   122.16184   124.22706
    3     1 S   H    _H1_     3     1.02842    19.02035    83.08514
    4     1 S   H    _H2_     4     1.02794   110.54828    -2.73259
    5     1 S   CT   _CA1     5     1.50304    93.17551  -118.12432
    6     5 S   HC   _HA1     6     1.09684   104.65264    58.30879
    7     5 S   CO3  _C1_     7     1.54389   111.05236   -57.61767
    8     7 S   O2Z  _O11     8     1.26059   116.75087  -116.37480
    9     7 S   O2Z  _O12     9     1.26604   113.78251    62.83766
   10     5 S   CT   _CB1    10     1.53042   106.94121   174.25901
   11    10 S   HC   HB11    11     1.09864   109.84591   -44.75758
   12    10 S   HC   HB12    12     1.09748   109.97567    71.38516
   13    10 S   CT   _CG1    13     1.53177   112.66244  -165.51355
   14    13 S   HC   HG11    14     1.09476   111.81319   -62.86593
   15    13 S   HC   HG12    15     1.09610   110.38971    56.46478
   16    13 S   C    _CD1    16     1.51415   110.43691   176.05265
   17    16 S   O    _OE1    17     1.22810   121.75283  -106.45688
   18    16 S   N    _N2_    18     1.38392   112.74029    72.60455
   19    18 S   H    _HN2    19     1.01619   118.98552     3.92466
   20    18 S   CT1  _CA2    20     1.46201   123.43096  -173.98067
   21    20 S   HC   _HA2    21     1.09732   109.42466   -10.88032
   22    20 S   C    _C2_    22     1.53340   108.53437  -126.82147
   23    22 S   O    _O2_    23     1.23023   122.26631  -145.55104
   24    20 S   CT   _CB2    32     1.53706   111.06762   110.94954
   25    24 S   HC   HB21    33     1.09358   108.80760    56.37325
   26    24 S   HC   HB22    34     1.09399   110.09086   175.25947
   27    22 S   N    _N3_    24     1.38515   113.39378    41.92241
   28    27 S   H    _HN3    25     1.01528   118.93324    -0.79648
   29    24 S   S    _SG2    35     1.82910   111.03476   -64.36778
   30    27 S   CT   _CA3    26     1.45427   123.25830   175.18395
   31    30 S   HC   HA31    27     1.09540   108.97043    29.15178
   32    30 S   HC   HA32    28     1.09490   107.18082   146.09373
   33    29 S   CT   _C6_    36     1.90223   102.55241   176.98494
   34    30 S   CO3  _C3_    29     1.52940   113.33679   -94.15236
   35    34 S   O2Z  _O31    30     1.26388   115.50967   -42.91506
   36    34 S   O2Z  _O32    31     1.26380   114.92612   138.05946
   37    33 S   CM   _C7_    37     1.50046   105.14499    69.47682
   38    37 S   HC   _H8_    38     1.08840   117.05557   -79.69966
   39    33 S   CT   _C5_    52     1.55400   113.65892   -52.05821
   40    39 S   HC   _H3_    53     1.09801   109.13108    58.20548
   41    37 S   CM   _C8_    39     1.33700   124.22467   104.73191
   42    39 S   CO3  _C17    54     1.55920   117.67317   174.83734
   43    42 S   O2Z  _O40    55     1.26316   117.06709     0.39713
   44    42 S   O2Z  _O39    56     1.26640   114.63832  -177.53343
   45    41 S   CO4  _C9_    40     1.49092   119.54448    -4.43637
   46    45 S   O    _O33    41     1.23277   118.82774  -168.74910
   47    41 S   CT   _C14    60     1.50790   121.78852   172.95093
   48    47 S   HC   _H10    61     1.09688   110.92676   163.37572
   49    47 S   HC   _H11    62     1.09880   108.56365    48.76123
   50    45 S   CMA  _C10    42     1.52081   119.55235    13.82137
   51    50 S   OM   _O36    43     1.26662   114.09883   168.76818
   52    47 S   CT   _C15    63     1.53991   113.29310   -72.82628
   53    52 S   HC   _H5_    64     1.09697   110.02117    68.39003
   54    33 S   CM   _C11    44     1.53280   103.99599  -171.25740
   55    52 S   CO3  _C16    65     1.54268   112.21241  -173.01821
   56    55 S   O2Z  _O38    66     1.26198   116.14358   -32.39410
   57    55 S   O2Z  _O37    67     1.26564   114.50578   148.69094
   58    52 S   NP   _N5_    68     1.50391   109.67959   -46.31410
   59    58 S   H    _H12    69     1.03452   111.90741    71.39964
   60    58 S   H    _H13    70     1.02820   111.86897   -50.15632
   61    58 S   H    _H14    71     1.02886   109.96422  -169.43826
   62    54 S   NE   _N4_    45     1.39833   115.01787    79.51929
   63    62 S   H    _H9_    46     1.01945   113.53962  -173.73377
   64    62 S   CT1  _C12    47     1.45618   125.86608    33.18373
   65    64 S   HC   _H4_    48     1.09774   107.82589    86.45638
   66    64 S   CT   _C4_    49     1.52852   111.55767   -32.69265
   67    66 S   HC   _H6_    50     1.09670   110.33929   -79.04946
   68    66 S   HC   _H7_    51     1.09739   109.05768   166.43499
   69    64 S   CO3  _C13    57     1.54149   107.56592  -159.15447
   70    69 S   O2Z  _O35    58     1.26490   116.46476   132.92039
   71    69 S   O2Z  _O34    59     1.26633   115.46422   -48.02650
  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
  19   2   1   1  15   5  14   8  12   7   2   1   9   4  12   5
   4   5   2   8   7   6   6   2   1   3   2   1   1   9   4   7
   6   5   2   1   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    50    54    62    66    39    40    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    45    50    51    54    62    63    64    66    67    68    39    40    42    43    44    47  
   35    36  
   36  
    0  
   38    41    45    46    50    54    62    66    39    40    42    47    48    49    52  
   41    45    54    39    47  
   40    42    43    44    69    41    50    54    62    64    65    66    67    68  
   42    43    44    54    64    66    67    68  
   45    46    50    51    54    47    48    49    52    53    55    58  
   43    44    54    64    66    67    68  
   44    66  
   66  
   46    50    51    54    62    47    48    49    52  
   50    51    54    47  
   48    49    52    53    55    56    57    58    59    60    61    50  
   49    52    53    55    58  
   52    53    55    58  
   51    54    62    63    64  
   54    62  
   53    55    56    57    58    59    60    61  
   55    56    57    58    59    60    61  
   62    63    64    65    66    69  
   56    57    58    59    60    61  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    69    70    71  
   64    65    66    69  
   65    66    67    68    69    70    71  
   66    67    68    69    70    71  
   67    68    69    70    71  
   68    69  
   69  
   70    71  
   71  
    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   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   52   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   55   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   56   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   57   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   58   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   59   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   60   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   61   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   63   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    54   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   549.000  1.340
   41    45   320.000  1.462
   41    47   317.000  1.510
   45    46   570.000  1.229
   45    50   270.000  1.476
   50    51   745.000  1.250
   50    54   465.000  1.376
   54    62   425.000  1.378
   62    63   434.000  1.010
   62    64   382.000  1.448
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    69   317.000  1.522
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    39   268.000  1.529
   39    40   340.000  1.090
   39    42   317.000  1.522
   42    43   656.000  1.250
   42    44   656.000  1.250
   69    70   656.000  1.250
   69    71   656.000  1.250
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    52   268.000  1.529
   52    53   340.000  1.090
   52    55   317.000  1.522
   52    58   367.000  1.471
   55    56   656.000  1.250
   55    57   656.000  1.250
   58    59   434.000  1.010
   58    60   434.000  1.010
   58    61   434.000  1.010
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    54    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    54    50    70.00000  124.00000
   33    54    62    75.00000  116.24600
   33    39    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    42    70.00000  109.69300
   37    41    45    65.00000  118.96000
   37    41    47    70.00000  124.00000
   41    37    38    35.00000  120.00000
   41    45    46    80.00000  123.72100
   41    45    50    65.00000  118.65900
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    52    70.00000  112.02700
   45    50    51    85.00000  116.28000
   45    50    54    65.00000  114.61000
   50    45    46    80.00000  120.81000
   50    54    62    70.00000  124.03900
   54    33    37    70.00000  110.12100
   54    50    51    65.00000  137.10300
   54    62    63    35.00000  114.50000
   54    62    64    50.00000  121.00000
   62    64    65    35.00000  109.50000
   62    64    66    80.00000  111.61500
   62    64    69    63.00000  110.10000
   64    62    63    35.00000  112.50000
   64    66    67    37.50000  110.70000
   64    66    68    37.50000  110.70000
   64    66    39    58.35000  112.70000
   64    69    70    70.00000  117.00000
   64    69    71    70.00000  117.00000
   66    64    65    37.50000  110.70000
   66    39    40    37.50000  110.70000
   66    39    42    70.00000  109.69300
   68    66    67    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    54    70.00000  112.02700
   39    66    67    37.50000  110.70000
   39    66    68    37.50000  110.70000
   39    42    43    70.00000  117.00000
   39    42    44    70.00000  117.00000
   42    39    40    35.00000  109.50000
   44    42    43    80.00000  126.00000
   69    64    65    35.00000  109.50000
   69    64    66    63.00000  111.10000
   71    69    70    80.00000  126.00000
   47    41    45    65.00000  116.34900
   47    52    53    37.50000  110.70000
   47    52    55    70.00000  109.69300
   47    52    58    80.00000  111.20000
   49    47    48    33.00000  107.80000
   52    47    48    37.50000  110.70000
   52    47    49    37.50000  110.70000
   52    55    56    70.00000  117.00000
   52    55    57    70.00000  117.00000
   52    58    59    35.00000  109.50000
   52    58    60    35.00000  109.50000
   52    58    61    35.00000  109.50000
   55    52    53    35.00000  109.50000
   57    55    56    80.00000  126.00000
   58    52    53    35.00000  109.50000
   58    52    55    80.00000  109.26000
   60    58    59    35.00000  109.50000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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    54  -0.62250  1.0 1.0
   24    29    33    54  -0.38450 -1.0 2.0
   24    29    33    54   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    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    54    50   0.42700  1.0 1.0
   29    33    54    50  -0.70350 -1.0 2.0
   29    33    54    50  -0.43150  1.0 3.0
   29    33    54    62   0.09700  1.0 1.0
   29    33    54    62   0.15600 -1.0 2.0
   29    33    54    62  -0.50800  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   33    37    41    45   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    54    62    63   2.40850 -1.0 2.0
   33    54    62    64   1.00000 -1.0 2.0
   33    39    42    43   0.41150 -1.0 2.0
   33    39    42    44   0.41150 -1.0 2.0
   37    33    54    50  -0.28300  1.0 1.0
   37    33    54    50   0.26700 -1.0 2.0
   37    33    54    50  -0.63300  1.0 3.0
   37    33    54    62  -1.35150  1.0 1.0
   37    33    54    62   0.13900 -1.0 2.0
   37    33    54    62   0.25250  1.0 3.0
   37    33    39    66   0.34400  1.0 1.0
   37    33    39    66   0.09450 -1.0 2.0
   37    33    39    66   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    42  -0.98800  1.0 1.0
   37    33    39    42   0.48800 -1.0 2.0
   37    33    39    42   0.76800  1.0 3.0
   37    41    45    46   1.00000 -1.0 2.0
   37    41   -45    50  -1.18350  1.0 1.0
   37    41   -45    50   1.45950 -1.0 2.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41    47    52   0.09850  1.0 1.0
   37    41    47    52   0.15250 -1.0 2.0
   37    41    47    52  -0.50650  1.0 3.0
   38    37    41    45   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    45    50    51   1.50000 -1.0 2.0
   41    45    50    54  -1.18350  1.0 1.0
   41    45    50    54   1.45950 -1.0 2.0
   41    47    52    53   0.15000  1.0 3.0
   41    47    52    55  -0.98800  1.0 1.0
   41    47    52    55   0.48800 -1.0 2.0
   41    47    52    55   0.76800  1.0 3.0
   41    47    52    58  -0.47300  1.0 1.0
   41    47    52    58   0.29700 -1.0 2.0
   41    47    52    58   0.83300  1.0 3.0
   45    41    47    48   0.15000  1.0 3.0
   45    41    47    49   0.15000  1.0 3.0
   45    41    47    52   0.09700  1.0 1.0
   45    41    47    52   0.15600 -1.0 2.0
   45    41    47    52  -0.50800  1.0 3.0
   45    50   -54    33   7.00000 -1.0 2.0
   45    50    54    62   7.00000 -1.0 2.0
   46    45    50    51  -0.11900  1.0 1.0
   46    45    50    51   0.76850 -1.0 2.0
   46    45    50    51   0.14100  1.0 3.0
   46    45    50    54   1.00000 -1.0 2.0
   50    54    62    63   1.00000 -1.0 2.0
   50    54    62    64  -0.54700  1.0 1.0
   50    54    62    64   1.23000 -1.0 2.0
   51    50    54    33   7.00000 -1.0 2.0
   51    50    54    62   7.00000 -1.0 2.0
   54    33    37    38   0.00000  1.0 1.0
   54    33   -37    41  -0.28300  1.0 1.0
   54    33   -37    41   0.26700 -1.0 2.0
   54    33   -37    41  -0.63300  1.0 3.0
   54    33    39    66   0.34400  1.0 1.0
   54    33    39    66   0.09450 -1.0 2.0
   54    33    39    66   0.11100  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    42  -0.98800  1.0 1.0
   54    33    39    42   0.48800 -1.0 2.0
   54    33    39    42   0.76800  1.0 3.0
   54    62    64    65   0.00000  1.0 1.0
   54    62   -64    66   0.25450  1.0 1.0
   54    62   -64    66  -0.61700 -1.0 2.0
   54    62   -64    66  -0.23550  1.0 3.0
   54    62    64    69  -0.12500  1.0 1.0
   54    62    64    69  -0.12500 -1.0 2.0
   54    62    64    69   0.25000  1.0 3.0
   62    64    66    67   0.22950  1.0 3.0
   62    64    66    68   0.22950  1.0 3.0
   62    64    66    39   1.26750  1.0 1.0
   62    64    66    39  -0.00950 -1.0 2.0
   62    64    66    39   0.30600  1.0 3.0
   62    64    69    70   0.00000  1.0 1.0
   62    64    69    71   0.00000  1.0 1.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    66   0.00000  1.0 1.0
   63    62    64    69   0.00000  1.0 1.0
   64    66   -39    33   0.56750  1.0 1.0
   64    66   -39    33  -0.07550 -1.0 2.0
   64    66   -39    33   0.20000  1.0 3.0
   64    66    39    40   0.15000  1.0 3.0
   64    66    39    42  -0.84850  1.0 1.0
   64    66    39    42  -0.22800 -1.0 2.0
   64    66    39    42   0.29250  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    39   0.15000  1.0 3.0
   65    64    69    70   0.00000  1.0 1.0
   65    64    69    71   0.00000  1.0 1.0
   66    64    69    70   0.00000  1.0 1.0
   66    64    69    71   0.00000  1.0 1.0
   66    39    42    43   0.41150 -1.0 2.0
   66    39    42    44   0.41150 -1.0 2.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.15000  1.0 3.0
   67    66    39    42  -0.11250  1.0 3.0
   68    66    39    33   0.15000  1.0 3.0
   68    66    39    40   0.15000  1.0 3.0
   68    66    39    42  -0.11250  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    54    50   0.09850  1.0 1.0
   39    33    54    50   0.15250 -1.0 2.0
   39    33    54    50  -0.50650  1.0 3.0
   39    33   -54    62  -0.93550  1.0 1.0
   39    33   -54    62   0.38900 -1.0 2.0
   39    33   -54    62   0.16950  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   69    64    66    67  -0.03800  1.0 3.0
   69    64    66    68  -0.03800  1.0 3.0
   69    64    66    39  -0.84850  1.0 1.0
   69    64    66    39  -0.22800 -1.0 2.0
   69    64    66    39   0.29250  1.0 3.0
   47    41    45    46  -0.64400  1.0 1.0
   47    41    45    46   0.26850 -1.0 2.0
   47    41    45    50   1.50000 -1.0 2.0
   47    52    55    56   0.41150 -1.0 2.0
   47    52    55    57   0.41150 -1.0 2.0
   47    52    58    59   0.17350  1.0 3.0
   47    52    58    60   0.17350  1.0 3.0
   47    52    58    61   0.17350  1.0 3.0
   48    47    52    53   0.15000  1.0 3.0
   48    47    52    55  -0.11250  1.0 3.0
   48    47    52    58   0.19200  1.0 3.0
   49    47    52    53   0.15000  1.0 3.0
   49    47    52    55  -0.11250  1.0 3.0
   49    47    52    58   0.19200  1.0 3.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    58    59   0.13050  1.0 3.0
   53    52    58    60   0.13050  1.0 3.0
   53    52    58    61   0.13050  1.0 3.0
   55    52    58    59   0.17350  1.0 3.0
   55    52    58    60   0.17350  1.0 3.0
   55    52    58    61   0.17350  1.0 3.0
   58    52    55    56   0.30150 -1.0 2.0
   58    52    55    57   0.30150 -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    38    37    41   1.10000 -1.0 2.0
   45    47    41    37   1.10000 -1.0 2.0
   41    50    45    46  10.50000 -1.0 2.0
   45    51    50    54   1.10000 -1.0 2.0
   33    62    54    50   1.10000 -1.0 2.0
   63    54    62    64   1.00000 -1.0 2.0
   43    39    42    44  10.50000 -1.0 2.0
   70    64    69    71  10.50000 -1.0 2.0
   56    52    55    57  10.50000 -1.0 2.0
END
