* LIGAND DATABASE FILE (OPLS2005)
*
001      80    79    139    201     407
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02034    99.95114    20.62281
    3     1 S   H    _H1_     3     1.02119    37.32419   128.54720
    4     1 S   H    _H2_     4     1.02109    77.97010   -86.54491
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54895
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08448   106.42696   -11.15906
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09629
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71915
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C5_    36     1.87970   100.43654  -160.02215
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   NT   _N4_    37     1.48499   110.46018  -160.01258
   38    33 S   OH   _O33    44     1.43422   109.58859   -36.64095
   39    38 S   HO   _H8_    45     0.97195   106.18804   -62.61762
   40    33 S   S    _S1_    46     1.89319   106.67233    79.62580
   41    37 S   CT   _C4_    38     1.46209   114.17058    62.16737
   42    41 S   HC   _H5_    39     1.09357   110.07072   179.95154
   43    41 S   HC   _H6_    40     1.09316   110.19920    60.00031
   44    41 S   HC   _H7_    41     1.09315   110.19825   -60.04365
   45    37 S   OH   _O40    42     1.45824   105.95274   175.03959
   46    45 S   HO   _H22    43     0.97222    99.40164   179.68973
   47    40 S   CT   _C6_    47     1.81475   101.25999    60.23390
   48    47 S   HC   _H9_    48     1.09481   107.41103    77.34452
   49    47 S   HC   _H10    49     1.09508   107.39848   -38.17349
   50    47 S   CT1  _C7_    50     1.53072   113.75004  -160.01088
   51    50 S   HC   _H3_    51     1.09699   108.66671   179.52978
   52    50 S   C    _C8_    52     1.52748   113.34885   -60.91859
   53    52 S   O    _O34    53     1.22948   123.00085   119.84054
   54    50 S   N    _N6_    62     1.44144   112.38751    63.03361
   55    54 S   H    _H14    63     1.01784   117.72337   -91.48743
   56    52 S   N    _N5_    54     1.38814   112.22825   -59.09704
   57    56 S   H    _H11    55     1.01564   119.41893    -3.88202
   58    54 S   C    _C11    64     1.39037   123.39498    88.27091
   59    58 S   O    _O37    65     1.22781   125.14947     0.06561
   60    56 S   CT   _C9_    56     1.44380   122.62534   178.87100
   61    60 S   HC   _H12    57     1.09476   110.35154   -59.78962
   62    60 S   HC   _H13    58     1.09361   110.41142    59.93625
   63    58 S   CT   _C12    66     1.51987   111.61722   179.72660
   64    63 S   HC   _H15    67     1.09614   107.96622    58.07024
   65    63 S   HC   _H16    68     1.09558   107.56120   -58.23941
   66    60 S   CO3  _C10    59     1.51956   105.91347  -179.93439
   67    66 S   O2Z  _O36    60     1.26339   115.23047    59.81147
   68    66 S   O2Z  _O35    61     1.26378   115.13901  -120.82836
   69    63 S   CT   _C13    69     1.53225   112.27247  -179.98022
   70    69 S   HC   _H17    70     1.09862   108.83148    60.06069
   71    69 S   HC   _H18    71     1.09777   109.24996   -54.70572
   72    69 S   CT   _C14    72     1.53371   114.40939  -177.53272
   73    72 S   HC   _H4_    73     1.09695   108.07066   179.43110
   74    72 S   CO3  _C15    74     1.53855   115.62144   -62.27480
   75    74 S   O2Z  _O39    75     1.26444   115.15105   149.10268
   76    74 S   O2Z  _O38    76     1.26311   115.87126   -29.52484
   77    72 S   NP   _N7_    77     1.49679   107.51877    66.70811
   78    77 S   H    _H19    78     1.02141   110.25876     6.78472
   79    77 S   H    _H20    79     1.02151   110.19798  -113.20225
   80    77 S   H    _H21    80     1.02068   110.28861   126.78037
  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   8   5   4   3
  14   2   1   1  10   5   1   9   5   3   2   1   1   1  10   5
   4  11   6  10   4   8   3   7   4   8   4   5   4   3   9   5
   4   2   1   1  11   5   4   8   7   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    41    45    38    39    40    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    41    42    43    44    45    46    38    39    40    47    48    49    50  
   35    36  
   36  
    0  
   41    42    43    44    45    46    38    39    40    47  
   39    40    47    41    45  
   40  
   47    48    49    50    51    52    54    41    45  
   42    43    44    45    46  
   43    44    45  
   44    45  
   45  
   46  
    0  
   48    49    50    51    52    53    56    54    55    58  
   49    50    51    52    54  
   50    51    52    54  
   51    52    53    56    57    60    54    55    58    59    63  
   52    53    56    54    55    58  
   53    56    57    60    61    62    66    54    55    58  
   56    57    60    54  
   55    58    59    63    64    65    69    56  
   58    59    63  
   57    60    61    62    66    67    68  
   60    61    62    66  
   59    63    64    65    69    70    71    72  
   63    64    65    69  
   61    62    66    67    68  
   62    66    67    68  
   66    67    68  
   64    65    69    70    71    72    73    74    77  
   65    69    70    71    72  
   69    70    71    72  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    78    79    80  
   71    72    73    74    77  
   72    73    74    77  
   73    74    75    76    77    78    79    80  
   74    75    76    77    78    79    80  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   0.808100   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   3.3000   0.1700  -0.373800   1.9050   1.6860   0.051222218  -2.220205820
   38   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.5000   0.0660   0.028100   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.493100   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.450700   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   66   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   67   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   74   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
   75   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   76   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   77   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
   78   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   79   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.210000   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    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   382.000  1.448
   33    38   320.000  1.410
   33    40   222.000  1.810
   37    41   382.000  1.448
   37    45   270.000  1.440
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
   45    46   553.000  0.945
   38    39   553.000  0.945
   40    47   222.000  1.810
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   317.000  1.522
   50    54   337.000  1.449
   52    53   570.000  1.229
   52    56   490.000  1.335
   56    57   434.000  1.010
   56    60   337.000  1.449
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   317.000  1.522
   66    67   656.000  1.250
   66    68   656.000  1.250
   54    55   434.000  1.010
   54    58   490.000  1.335
   58    59   570.000  1.229
   58    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   317.000  1.522
   72    77   367.000  1.471
   74    75   656.000  1.250
   74    76   656.000  1.250
   77    78   434.000  1.010
   77    79   434.000  1.010
   77    80   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    85.00000  109.00000
   29    33    38    85.00000  114.68000
   29    33    40    75.00000  118.28000
   33    37    41    51.80000  107.20000
   33    37    45   110.00000  104.48500
   33    38    39    55.00000  108.50000
   33    40    47    62.00000   98.90000
   37    41    42    35.00000  109.50000
   37    41    43    35.00000  109.50000
   37    41    44    35.00000  109.50000
   37    45    46    75.00000  101.59700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
   45    37    41   110.00000  104.48500
   38    33    37   110.00000  105.70000
   40    33    37    85.00000  109.00000
   40    33    38    85.00000  114.68000
   40    47    48    35.00000  109.50000
   40    47    49    35.00000  109.50000
   40    47    50    75.00000  108.68000
   47    50    51    37.50000  110.70000
   47    50    52    63.00000  111.10000
   47    50    54    80.00000  109.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    53    80.00000  120.40000
   50    52    56    70.00000  116.60000
   50    54    55    38.00000  118.40000
   50    54    58    50.00000  121.90000
   52    50    51    35.00000  109.50000
   52    56    57    35.00000  119.80000
   52    56    60    50.00000  121.90000
   56    52    53    80.00000  122.90000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    66    63.00000  110.10000
   60    56    57    38.00000  118.40000
   60    66    67    70.00000  117.00000
   60    66    68    70.00000  117.00000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   68    66    67    80.00000  126.00000
   54    50    51    35.00000  109.50000
   54    50    52    63.00000  110.10000
   54    58    59    80.00000  122.90000
   54    58    63    70.00000  116.60000
   58    54    55    35.00000  119.80000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    69    63.00000  111.10000
   63    58    59    80.00000  120.40000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    58.35000  112.70000
   65    63    64    33.00000  107.80000
   69    63    64    37.50000  110.70000
   69    63    65    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    70.00000  109.69300
   69    72    77    80.00000  111.20000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    74    75    70.00000  117.00000
   72    74    76    70.00000  117.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    80    35.00000  109.50000
   74    72    73    35.00000  109.50000
   76    74    75    80.00000  126.00000
   77    72    73    35.00000  109.50000
   77    72    74    80.00000  109.26000
   79    77    78    35.00000  109.50000
   80    77    78    35.00000  109.50000
   80    77    79    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    41   0.23200  1.0 1.0
   29    33    37    41   0.02100 -1.0 2.0
   29    33    37    41   0.24950  1.0 3.0
   29    33    37    45   0.23200  1.0 1.0
   29    33    37    45   0.02100 -1.0 2.0
   29    33    37    45   0.24950  1.0 3.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   29    33    40    47   0.08500  1.0 1.0
   29    33    40    47  -0.53150 -1.0 2.0
   29    33    40    47   0.48050  1.0 3.0
   33    37    41    42   0.28000  1.0 3.0
   33    37    41    43   0.28000  1.0 3.0
   33    37    41    44   0.28000  1.0 3.0
   33    37    45    46  -0.45100  1.0 1.0
   33    37    45    46  -2.35050 -1.0 2.0
   33    37    45    46   0.34450  1.0 3.0
   33    40    47    48   0.32350  1.0 3.0
   33    40    47    49   0.32350  1.0 3.0
   33    40    47    50   0.01700  1.0 1.0
   33    40    47    50  -0.23550 -1.0 2.0
   33    40    47    50   0.21350  1.0 3.0
   37    33    38    39   0.35600  1.0 1.0
   37    33    38    39  -0.10750 -1.0 2.0
   37    33    38    39  -0.54400  1.0 3.0
   37    33    40    47   0.01700  1.0 1.0
   37    33    40    47  -0.23550 -1.0 2.0
   37    33    40    47   0.21350  1.0 3.0
   41    37    45    46  -0.45100  1.0 1.0
   41    37    45    46  -2.35050 -1.0 2.0
   41    37    45    46   0.34450  1.0 3.0
   45    37    41    42   0.28100  1.0 3.0
   45    37    41    43   0.28100  1.0 3.0
   45    37    41    44   0.28100  1.0 3.0
   38    33    37    41   0.23200  1.0 1.0
   38    33    37    41   0.02100 -1.0 2.0
   38    33    37    41   0.24950  1.0 3.0
   38    33    37    45   0.23200  1.0 1.0
   38    33    37    45   0.02100 -1.0 2.0
   38    33    37    45   0.24950  1.0 3.0
   38    33    40    47   0.13850  1.0 1.0
   38    33    40    47  -1.34450 -1.0 2.0
   38    33    40    47   0.57400  1.0 3.0
   40    33    37    41   0.23200  1.0 1.0
   40    33    37    41   0.02100 -1.0 2.0
   40    33    37    41   0.24950  1.0 3.0
   40    33    37    45   0.23200  1.0 1.0
   40    33    37    45   0.02100 -1.0 2.0
   40    33    37    45   0.24950  1.0 3.0
   40    33    38    39   0.35600  1.0 1.0
   40    33    38    39  -0.10750 -1.0 2.0
   40    33    38    39  -0.54400  1.0 3.0
   40    47    50    51   0.15000  1.0 3.0
   40    47    50    52  -2.17200  1.0 1.0
   40    47    50    52  -0.85700 -1.0 2.0
   40    47    50    54   0.71400  1.0 1.0
   40    47    50    54   0.04300 -1.0 2.0
   40    47    50    54   0.01450  1.0 3.0
   47    50    52    53   0.00000  1.0 1.0
   47    50    52    56   0.93250  1.0 1.0
   47    50    52    56   0.04450 -1.0 2.0
   47    50    52    56   0.17550  1.0 3.0
   47    50    54    55   0.00000  1.0 1.0
   47    50    54    58   0.25950  1.0 1.0
   47    50    54    58   0.43850 -1.0 2.0
   47    50    54    58   2.61650  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52  -0.03800  1.0 3.0
   48    47    50    54   0.23200  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52  -0.03800  1.0 3.0
   49    47    50    54   0.23200  1.0 3.0
   50    52    56    57   2.45000 -1.0 2.0
   50    52    56    60   1.15000  1.0 1.0
   50    52    56    60   3.04450 -1.0 2.0
   50    54    58    59   3.04450 -1.0 2.0
   50    54    58    63   1.15000  1.0 1.0
   50    54    58    63   3.04450 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    56   0.00000  1.0 1.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    58   0.00000  1.0 1.0
   52    50    54    55   0.00000  1.0 1.0
   52    50    54    58  -0.29800  1.0 1.0
   52    50    54    58   0.13950 -1.0 2.0
   52    50    54    58  -2.45650  1.0 3.0
   52    56    60    61   0.00000  1.0 1.0
   52    56    60    62   0.00000  1.0 1.0
   52    56    60    66  -0.29800  1.0 1.0
   52    56    60    66   0.13950 -1.0 2.0
   52    56    60    66  -2.45650  1.0 3.0
   53    52    56    57   2.45000 -1.0 2.0
   53    52    56    60   3.04450 -1.0 2.0
   56    60    66    67   0.00000  1.0 1.0
   56    60    66    68   0.00000  1.0 1.0
   57    56    60    61   0.00000  1.0 1.0
   57    56    60    62   0.00000  1.0 1.0
   57    56    60    66   0.00000  1.0 1.0
   61    60    66    67   0.00000  1.0 1.0
   61    60    66    68   0.00000  1.0 1.0
   62    60    66    67   0.00000  1.0 1.0
   62    60    66    68   0.00000  1.0 1.0
   54    50    52    53   0.00000  1.0 1.0
   54    50    52    56   0.37150  1.0 1.0
   54    50    52    56   1.25400 -1.0 2.0
   54    50    52    56  -0.40250  1.0 3.0
   54    58    63    64   0.00000  1.0 1.0
   54    58    63    65   0.00000  1.0 1.0
   54    58    63    69   1.39750  1.0 1.0
   54    58    63    69  -0.07950 -1.0 2.0
   54    58    63    69  -0.18750  1.0 3.0
   55    54    58    59   2.45000 -1.0 2.0
   55    54    58    63   2.45000 -1.0 2.0
   58    63    69    70  -0.11250  1.0 3.0
   58    63    69    71  -0.11250  1.0 3.0
   58    63    69    72  -0.95700  1.0 1.0
   58    63    69    72  -0.18200 -1.0 2.0
   58    63    69    72   0.29450  1.0 3.0
   59    58    63    64   0.00000  1.0 1.0
   59    58    63    65   0.00000  1.0 1.0
   59    58    63    69   0.30150 -1.0 2.0
   63    69    72    73   0.15000  1.0 3.0
   63    69    72    74  -1.63150  1.0 1.0
   63    69    72    74  -0.43550 -1.0 2.0
   63    69    72    74   0.24500  1.0 3.0
   63    69    72    77   1.36600  1.0 1.0
   63    69    72    77  -0.11450 -1.0 2.0
   63    69    72    77   0.24250  1.0 3.0
   64    63    69    70   0.15000  1.0 3.0
   64    63    69    71   0.15000  1.0 3.0
   64    63    69    72   0.15000  1.0 3.0
   65    63    69    70   0.15000  1.0 3.0
   65    63    69    71   0.15000  1.0 3.0
   65    63    69    72   0.15000  1.0 3.0
   69    72    74    75   0.41150 -1.0 2.0
   69    72    74    76   0.41150 -1.0 2.0
   69    72    77    78   0.17350  1.0 3.0
   69    72    77    79   0.17350  1.0 3.0
   69    72    77    80   0.17350  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74  -0.11250  1.0 3.0
   70    69    72    77   0.19200  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74  -0.11250  1.0 3.0
   71    69    72    77   0.19200  1.0 3.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.00000  1.0 1.0
   73    72    77    78   0.13050  1.0 3.0
   73    72    77    79   0.13050  1.0 3.0
   73    72    77    80   0.13050  1.0 3.0
   74    72    77    78   0.17350  1.0 3.0
   74    72    77    79   0.17350  1.0 3.0
   74    72    77    80   0.17350  1.0 3.0
   77    72    74    75   0.30150 -1.0 2.0
   77    72    74    76   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
   50    56    52    53  10.50000 -1.0 2.0
   57    52    56    60   1.00000 -1.0 2.0
   67    60    66    68  10.50000 -1.0 2.0
   55    58    54    50   1.00000 -1.0 2.0
   54    63    58    59  10.50000 -1.0 2.0
   75    72    74    76  10.50000 -1.0 2.0
END
