* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    147    238     435
    1     0 S   NP   _N1_     1    28.07357    96.00945   -20.95099
    2     1 S   H    _HN1     2     1.02788    94.32581  -134.56888
    3     1 S   H    _H1_     3     1.02949    78.61503   -26.71656
    4     1 S   H    _H2_     4     1.02847    37.73405   111.61754
    5     1 S   CT   _CA1     5     1.50092   145.95083    83.19729
    6     5 S   HC   _HA1     6     1.09558   105.25962    77.30727
    7     5 S   CO3  _C1_     7     1.53841   112.56449   -43.07581
    8     7 S   O2Z  _O11     8     1.26385   115.08510   -39.05123
    9     7 S   O2Z  _O12     9     1.26220   115.10613   140.75585
   10     5 S   CT   _CB1    10     1.53169   107.49320  -164.46308
   11    10 S   HC   HB11    11     1.09824   109.68855   -47.92076
   12    10 S   HC   HB12    12     1.09752   110.26484    68.64583
   13    10 S   CT   _CG1    13     1.52975   112.58070  -168.79106
   14    13 S   HC   HG11    14     1.09549   110.69573   -60.44260
   15    13 S   HC   HG12    15     1.09646   109.80350    58.74434
   16    13 S   C    _CD1    16     1.51706   112.46980   179.64447
   17    16 S   O    _OE1    17     1.22687   123.40178     4.91869
   18    16 S   N    _N2_    18     1.38494   111.62451  -175.82003
   19    18 S   H    _HN2    19     1.01559   119.13633     5.72094
   20    18 S   CT1  _CA2    20     1.45782   122.84820  -177.29752
   21    20 S   HC   _HA2    21     1.09585   108.28801    34.00235
   22    20 S   C    _C2_    22     1.52782   107.59372   -83.32031
   23    22 S   O    _O2_    23     1.22953   122.99815   -30.60943
   24    20 S   CT   _CB2    32     1.53201   111.90643   157.14004
   25    24 S   HC   HB21    33     1.09659   109.83054    57.14802
   26    24 S   HC   HB22    34     1.09552   111.58862   174.91061
   27    22 S   N    _N3_    24     1.38472   112.45475   152.08752
   28    27 S   H    _HN3    25     1.01659   120.43972    -2.29934
   29    24 S   S    _SG2    35     1.82677   112.49373   -61.66935
   30    27 S   CT   _CA3    26     1.45332   122.46884   178.86668
   31    30 S   HC   HA31    27     1.09565   107.71945   -57.63390
   32    30 S   HC   HA32    28     1.09561   107.70889    58.71398
   33    29 S   CT   _C20    36     1.84882   100.18636   -80.64754
   34    33 S   HC   _H5_    37     1.09664   106.36772    12.06310
   35    30 S   CO3  _C3_    29     1.52879   114.27468  -179.55721
   36    35 S   O2Z  _O31    30     1.26331   116.04559    -2.76647
   37    35 S   O2Z  _O32    31     1.26431   114.41855   177.23863
   38    33 S   CM   _C19    38     1.51464   106.99127  -100.19163
   39    38 S   HC   _H18    39     1.08995   117.83780    33.28417
   40    38 S   CMA  _C18    40     1.34807   124.27751  -149.08904
   41    40 S   OM   _O33    41     1.25897   130.79248  -179.02482
   42    40 S   CM   _C17    42     1.45668   117.85302    -1.45050
   43    42 S   HC   _H17    43     1.08922   119.32616  -167.33117
   44    42 S   CM   _C16    44     1.34098   122.57938    13.15640
   45    44 S   HC   _H16    45     1.08810   118.35789   178.63599
   46    33 S   CT   _C15    46     1.57209   115.35467   132.46390
   47    46 S   CA   _C11    47     1.52569   110.99027   -81.86927
   48    46 S   CT   _C14    71     1.58141   116.86512    32.26775
   49    48 S   HC   _H14    72     1.10107   110.38129   148.99600
   50    48 S   HC   _H15    73     1.09582   112.49072    30.97206
   51    47 S   CR3  _C12    48     1.39646   110.06042   111.96426
   52    51 S   CA   _C7_    49     1.38687   123.56441   169.93104
   53    52 S   CA   _C8_    50     1.39362   117.41809     6.05557
   54    53 S   HA   _H13    51     1.08679   120.32468  -179.44857
   55    52 S   CT   _C6_    61     1.50388   119.02184  -166.93562
   56    55 S   HC   _H11    62     1.09761   107.46533   104.58313
   57    55 S   HC   _H12    63     1.09488   109.78521  -139.08646
   58    53 S   CA   _C9_    52     1.40652   119.80536    -0.54032
   59    55 S   CT   _C5_    64     1.53957   114.65216   -15.77757
   60    59 S   HC   _H9_    65     1.09501   110.57818   161.14293
   61    59 S   HC   _H10    66     1.09563   111.36909   -77.14213
   62    47 S   CA   _C10    53     1.38712   131.19314   -72.00810
   63    58 S   OS   _O35    56     1.37342   118.62088  -179.19449
   64    59 S   NP   _N4_    67     1.52913   111.01722    41.64380
   65    64 S   H    _H3_    68     1.02925   107.50804    55.49151
   66    62 S   OH   _O34    54     1.36398   122.77594     5.04881
   67    66 S   HO   _H19    55     0.97087   109.77970    -0.90633
   68    63 S   CT   _C21    57     1.42831   109.70487   -88.79808
   69    68 S   HC   _H20    58     1.09405   107.81358  -175.15079
   70    68 S   HC   _H21    59     1.09535   110.92568    66.77642
   71    68 S   HC   _H22    60     1.09604   111.52903   -56.72493
   72    51 S   CT   _C13    69     1.48882   112.59806    -7.79624
   73    72 S   HC   _H4_    70     1.09472   110.30077   -94.44008
   74    64 S   CT   _C4_    74     1.50143   111.55716   172.98977
   75    74 S   HC   _H6_    75     1.09326   108.74173    62.82521
   76    74 S   HC   _H7_    76     1.09252   108.30790  -176.34773
   77    74 S   HC   _H8_    77     1.09310   107.97749   -57.63559
  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
  16   7   2   1   1   9   4   6   3   6   3   9   3  12  15  11
   5   4  15  14  11   4  10   5   4   8  10   5   4   5   5   7
   6   1   1   3   2   1   1   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    51    62    72    48    49    50  
   38    39    40    44    46    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    48  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    48  
   44    45    46  
   45    46    47    51    62    72    48    49    50  
   46    47    48  
   47    51    52    58    62    66    64    72    73    48    49    50  
   51    52    53    58    62    66    67    63    55    64    72    73    48    49    50  
   49    50    74    51    52    59    62    64    65    72    73  
   50    51    64    72    73  
   51    64    72    73  
   52    53    54    58    62    66    55    56    57    59    64    65    72    73    74  
   53    54    58    62    63    55    56    57    59    60    61    64    72    73  
   54    58    62    66    63    68    55    56    57    59    72  
   58    62    63    55  
   56    57    59    60    61    64    65    72    74    58  
   57    59    60    61    64  
   59    60    61    64  
   62    66    67    63    68    69    70    71  
   60    61    64    65    72    73    74    75    76    77  
   61    64    65    72    74  
   64    65    72    74  
   66    67    63    68    72  
   68    69    70    71    66  
   65    72    73    74    75    76    77  
   72    73    74    75    76    77  
   67  
    0  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74  
   75    76    77  
   76    77  
   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   59   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   65   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.325000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    46   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   317.000  1.510
   46    48   268.000  1.529
   47    51   490.000  1.398
   47    62   469.000  1.400
   51    52   490.000  1.398
   51    72   317.000  1.510
   52    53   469.000  1.400
   52    55   317.000  1.510
   53    54   367.000  1.080
   53    58   469.000  1.400
   58    62   469.000  1.400
   58    63   450.000  1.364
   62    66   450.000  1.364
   66    67   553.000  0.945
   63    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   367.000  1.471
   64    65   434.000  1.010
   64    72   367.000  1.471
   64    74   367.000  1.471
   72    73   340.000  1.090
   72    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    70.00000  112.02700
   33    46    47    70.00000  112.17500
   33    46    48    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    70.00000  124.00000
   44    42    43    35.00000  120.00000
   44    46    47    70.00000  112.99600
   44    46    48    70.00000  112.02700
   46    33    34    37.50000  110.70000
   46    33    38    70.00000  112.02700
   46    44    45    35.00000  117.00000
   46    47    51    80.00000  105.07000
   46    47    62    70.00000  120.00000
   46    48    72    58.35000  112.70000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   47    51    52    60.00000  130.80000
   47    51    72    70.00000  120.00000
   47    62    58    63.00000  120.00000
   47    62    66    70.00000  120.00000
   51    52    53    70.00000  112.88000
   51    52    55    80.00000  105.07000
   51    72    64    75.00000  110.83300
   51    72    73    35.00000  109.50000
   51    72    48    70.00000  112.17500
   52    53    54    35.00000  120.00000
   52    53    58    63.00000  120.00000
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    59    70.00000  112.17500
   53    58    62    63.00000  120.00000
   53    58    63    70.00000  120.00000
   58    53    54    35.00000  120.00000
   58    62    66    70.00000  120.00000
   58    63    68    75.00000  111.00000
   62    47    51    70.00000  112.88000
   62    66    67    35.00000  113.00000
   63    58    62    70.00000  120.00000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    52    53    70.00000  120.00000
   55    59    60    37.50000  110.70000
   55    59    61    37.50000  110.70000
   55    59    64    80.00000  111.20000
   57    55    56    33.00000  107.80000
   59    55    56    37.50000  110.70000
   59    55    57    37.50000  110.70000
   59    64    65    35.00000  109.50000
   59    64    72    75.00000  113.01200
   59    64    74    75.00000  113.01200
   61    59    60    33.00000  107.80000
   64    59    60    35.00000  109.50000
   64    59    61    35.00000  109.50000
   64    72    73    35.00000  109.50000
   64    72    48    80.00000  111.20000
   64    74    75    35.00000  109.50000
   64    74    76    35.00000  109.50000
   64    74    77    35.00000  109.50000
   72    51    52    70.00000  120.00000
   72    64    65    35.00000  109.50000
   72    48    49    37.50000  110.70000
   72    48    50    37.50000  110.70000
   48    46    47    70.00000  112.17500
   48    72    73    37.50000  110.70000
   50    48    49    33.00000  107.80000
   74    64    65    35.00000  109.50000
   74    64    72    75.00000  113.01200
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.56750  1.0 1.0
   29    33    46    47  -0.07550 -1.0 2.0
   29    33    46    47   0.20000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    51   0.04150 -1.0 2.0
   33    46    47    62   0.04150 -1.0 2.0
   33    46    48    72   0.56750  1.0 1.0
   33    46    48    72  -0.07550 -1.0 2.0
   33    46    48    72   0.20000  1.0 3.0
   33    46    48    49   0.15000  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.43200  1.0 3.0
   34    33    46    48   0.15000  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.21200  1.0 1.0
   38    33    46    47   0.16900 -1.0 2.0
   38    33    46    47  -1.15100  1.0 3.0
   38    33    46    48   0.34400  1.0 1.0
   38    33    46    48   0.09450 -1.0 2.0
   38    33    46    48   0.11100  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   1.44450  1.0 1.0
   42    44    46    47   0.06600 -1.0 2.0
   42    44    46    47   0.29250  1.0 3.0
   42    44    46    48   0.09850  1.0 1.0
   42    44    46    48   0.15250 -1.0 2.0
   42    44    46    48  -0.50650  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    51   0.18050 -1.0 2.0
   44    46    47    62   0.18050 -1.0 2.0
   44    46    48    72   0.34400  1.0 1.0
   44    46    48    72   0.09450 -1.0 2.0
   44    46    48    72   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    50   0.15000  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    48   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    51    52   3.62500 -1.0 2.0
   46    47   -51    72   3.62500 -1.0 2.0
   46    47    62    58   3.62500 -1.0 2.0
   46    47    62    66   3.62500 -1.0 2.0
   47    46   -48    72  -0.03700  1.0 1.0
   47    46   -48    72   0.37200 -1.0 2.0
   47    46   -48    72  -0.47300  1.0 3.0
   47    46    48    49   0.43200  1.0 3.0
   47    46    48    50   0.43200  1.0 3.0
   47    51    52    53   3.62500 -1.0 2.0
   47    51    52    55   3.62500 -1.0 2.0
   47    51    72    64  -0.46400 -1.0 2.0
   47    51    72    73   0.00000  1.0 1.0
   47    51   -72    48   0.04150 -1.0 2.0
   47    62    66    67   0.84100 -1.0 2.0
   51    47    62    58   3.62500 -1.0 2.0
   51    47    62    66   3.62500 -1.0 2.0
   51    52    53    54   3.62500 -1.0 2.0
   51    52   -53    58   3.62500 -1.0 2.0
   51    52    55    56   0.00000  1.0 1.0
   51    52    55    57   0.00000  1.0 1.0
   51    52    55    59   0.04150 -1.0 2.0
   51    72   -48    46  -0.03700  1.0 1.0
   51    72   -48    46   0.37200 -1.0 2.0
   51    72   -48    46  -0.47300  1.0 3.0
   51    72    48    49   0.43200  1.0 3.0
   51    72    48    50   0.43200  1.0 3.0
   52    51    72    64  -0.46400 -1.0 2.0
   52    51    72    73   0.00000  1.0 1.0
   52    51    72    48   0.04150 -1.0 2.0
   52    53    58    62   3.62500 -1.0 2.0
   52    53    58    63   3.62500 -1.0 2.0
   52    55    59    60   0.43200  1.0 3.0
   52    55    59    61   0.43200  1.0 3.0
   52    55   -59    64   1.24050  1.0 1.0
   52    55   -59    64   0.48100 -1.0 2.0
   52    55   -59    64   1.08150  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    55    59   0.04150 -1.0 2.0
   53    58   -62    47   3.62500 -1.0 2.0
   53    58    62    66   3.62500 -1.0 2.0
   53    58    63    68   1.63200 -1.0 2.0
   54    53    58    62   3.62500 -1.0 2.0
   54    53    58    63   3.62500 -1.0 2.0
   58    62    66    67   0.84100 -1.0 2.0
   58    63    68    69   0.08050  1.0 3.0
   58    63    68    70   0.08050  1.0 3.0
   58    63    68    71   0.08050  1.0 3.0
   62    47   -51    52   3.62500 -1.0 2.0
   62    47    51    72   3.62500 -1.0 2.0
   62    58    63    68   1.63200 -1.0 2.0
   63    58    62    47   3.62500 -1.0 2.0
   63    58    62    66   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    58   3.62500 -1.0 2.0
   55    59    64    65   0.17350  1.0 3.0
   55    59    64    72   0.47100  1.0 1.0
   55    59    64    74   0.47100  1.0 1.0
   56    55    59    60   0.15000  1.0 3.0
   56    55    59    61   0.15000  1.0 3.0
   56    55    59    64   0.19200  1.0 3.0
   57    55    59    60   0.15000  1.0 3.0
   57    55    59    61   0.15000  1.0 3.0
   57    55    59    64   0.19200  1.0 3.0
   59    64   -72    51   0.03550  1.0 1.0
   59    64   -72    51   0.09800 -1.0 2.0
   59    64    72    73   0.15000  1.0 3.0
   59    64    72    48   0.47100  1.0 1.0
   59    64    74    75   0.15000  1.0 3.0
   59    64    74    76   0.15000  1.0 3.0
   59    64    74    77   0.15000  1.0 3.0
   60    59    64    65   0.13050  1.0 3.0
   60    59    64    72   0.15000  1.0 3.0
   60    59    64    74   0.15000  1.0 3.0
   61    59    64    65   0.13050  1.0 3.0
   61    59    64    72   0.15000  1.0 3.0
   61    59    64    74   0.15000  1.0 3.0
   64    72    48    46   1.36600  1.0 1.0
   64    72    48    46  -0.11450 -1.0 2.0
   64    72    48    46   0.24250  1.0 3.0
   64    72    48    49   0.19200  1.0 3.0
   64    72    48    50   0.19200  1.0 3.0
   65    64    72    51   0.17350  1.0 3.0
   65    64    72    73   0.13050  1.0 3.0
   65    64    72    48   0.17350  1.0 3.0
   65    64    74    75   0.13050  1.0 3.0
   65    64    74    76   0.13050  1.0 3.0
   65    64    74    77   0.13050  1.0 3.0
   72    51    52    53   3.62500 -1.0 2.0
   72    51   -52    55   3.62500 -1.0 2.0
   72    64    74    75   0.15000  1.0 3.0
   72    64    74    76   0.15000  1.0 3.0
   72    64    74    77   0.15000  1.0 3.0
   73    72    48    46   0.15000  1.0 3.0
   73    72    48    49   0.15000  1.0 3.0
   73    72    48    50   0.15000  1.0 3.0
   48    46   -47    51   0.04150 -1.0 2.0
   48    46    47    62   0.04150 -1.0 2.0
   74    64    72    51   0.03550  1.0 1.0
   74    64    72    51   0.09800 -1.0 2.0
   74    64    72    73   0.15000  1.0 3.0
   74    64    72    48   0.47100  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   51    62    47    46   4.00000 -1.0 2.0
   52    72    51    47   4.00000 -1.0 2.0
   53    55    52    51   4.00000 -1.0 2.0
   58    54    53    52   1.10000 -1.0 2.0
   62    63    58    53   4.00000 -1.0 2.0
   58    66    62    47   4.00000 -1.0 2.0
END
