* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    152    252     458
    1     0 S   NP   _N1_     1    28.99357    99.51876   -22.11487
    2     1 S   H    _HN1     2     1.02791    97.35176   -89.39169
    3     1 S   H    _H1_     3     1.02948    54.72907    17.92070
    4     1 S   H    _H2_     4     1.02828    59.66204   164.16313
    5     1 S   CT   _CA1     5     1.50115   150.37921    85.63820
    6     5 S   HC   _HA1     6     1.09575   105.18351   124.06795
    7     5 S   CO3  _C1_     7     1.53765   112.40499     3.84227
    8     7 S   O2Z  _O11     8     1.26371   115.01465   -44.29332
    9     7 S   O2Z  _O12     9     1.26232   114.92885   134.72932
   10     5 S   CT   _CB1    10     1.53060   107.40500  -117.99880
   11    10 S   HC   HB11    11     1.09840   109.32649   -49.80059
   12    10 S   HC   HB12    12     1.09811   110.48074    66.77932
   13    10 S   CT   _CG1    13     1.53018   112.64029  -170.75482
   14    13 S   HC   HG11    14     1.09577   110.69874   -66.58071
   15    13 S   HC   HG12    15     1.09669   109.74326    52.67833
   16    13 S   C    _CD1    16     1.51809   112.03175   173.12419
   17    16 S   O    _OE1    17     1.22756   123.20676    10.06486
   18    16 S   N    _N2_    18     1.38643   111.81485  -169.93573
   19    18 S   H    _HN2    19     1.01590   118.99686     1.08822
   20    18 S   CT1  _CA2    20     1.46230   123.34769   177.03601
   21    20 S   HC   _HA2    21     1.09742   109.29061     6.55754
   22    20 S   C    _C2_    22     1.53655   108.90536  -108.96560
   23    22 S   O    _O2_    23     1.23084   122.21127  -149.23819
   24    20 S   CT   _CB2    32     1.53485   111.58896   128.52915
   25    24 S   HC   HB21    33     1.09377   109.49423    57.65580
   26    24 S   HC   HB22    34     1.09427   109.54946   176.46720
   27    22 S   N    _N3_    24     1.38304   113.86562    38.27629
   28    27 S   H    _HN3    25     1.01554   119.59932    -3.36004
   29    24 S   S    _SG2    35     1.82879   111.05234   -64.28165
   30    27 S   CT   _CA3    26     1.45284   123.28321   177.16013
   31    30 S   HC   HA31    27     1.09548   107.50635   -64.87025
   32    30 S   HC   HA32    28     1.09556   108.00345    51.58875
   33    29 S   CT   _C19    36     1.88981   102.58807   167.84987
   34    30 S   CO3  _C3_    29     1.52978   114.03796   173.58363
   35    34 S   O2Z  _O31    30     1.26385   116.06534    -0.75225
   36    34 S   O2Z  _O32    31     1.26426   114.41688   179.31557
   37    33 S   CM   _C6_    37     1.51905   107.61967   -67.35801
   38    37 S   HC   _H24    38     1.09007   116.14908    74.85466
   39    33 S   CT   _C15    71     1.54248   111.32214    52.28233
   40    39 S   HC   _H35    72     1.09532   112.13298   -53.87764
   41    39 S   HC   _H36    73     1.10034   109.48363  -169.88703
   42    37 S   CMA  _C9_    39     1.35022   126.54102  -107.41198
   43    42 S   OM   _O19    40     1.26157   129.69394  -177.91992
   44    42 S   CT   _C11    41     1.52414   118.68113     2.34352
   45    44 S   HC   _H27    42     1.10013   110.91709   139.44849
   46    44 S   HC   _H28    43     1.10010   108.87752  -103.43045
   47    44 S   CT   _C10    44     1.53369   114.22498    18.52298
   48    47 S   HC   _H25    45     1.09132   107.77290  -173.52970
   49    47 S   HC   _H26    46     1.09691   109.72652    72.47036
   50    33 S   CM   _C8_    47     1.54432   105.15782   173.16238
   51    50 S   CM   _C7_    48     1.35887   122.66231  -103.12226
   52    51 S   CM   _C4_    49     1.47318   123.55569   174.97523
   53    52 S   HC   _H22    50     1.08335   119.20425     5.83049
   54    52 S   CM   _C5_    51     1.34660   124.34378  -172.56455
   55    54 S   HC   _H23    52     1.08662   119.49569  -179.55898
   56    54 S   CT   _C20    53     1.50512   122.25637    -2.26261
   57    56 S   CT   _C17    54     1.54631   107.66953    27.05353
   58    57 S   HC   _H38    55     1.10546   108.86090    60.01033
   59    56 S   CT   _C21    74     1.54788   106.90074   -97.58833
   60    59 S   HC   _H40    75     1.09431   112.63109   176.85477
   61    59 S   HC   _H41    76     1.09542   112.30306    55.61505
   62    59 S   HC   _H42    77     1.09709   110.85092   -63.23835
   63    57 S   CT   _C13    56     1.52256   103.46872   171.71198
   64    63 S   HC   _H31    57     1.09465   112.17175  -156.86846
   65    63 S   HC   _H32    58     1.09534   111.70366    82.12702
   66    51 S   CT   _C16    66     1.54193   121.49878    -3.48212
   67    66 S   HC   _H37    67     1.09822   106.70066   -98.48589
   68    63 S   CT   _C14    59     1.54099   103.26858   -36.80935
   69    68 S   HC   _H33    60     1.09578   110.75315   131.92363
   70    68 S   HC   _H34    61     1.09582   110.74753  -109.57653
   71    66 S   CT   _C12    68     1.52917   113.87563    18.28133
   72    71 S   HC   _H29    69     1.09674   109.68572  -166.06491
   73    71 S   HC   _H30    70     1.09590   111.10189    76.45866
   74    56 S   CT   _C18    62     1.54069   117.45940   137.09440
   75    74 S   HC   _H39    63     1.09765   110.78012   -39.16325
   76    74 S   OH   _O20    64     1.41598   113.07370    82.19701
   77    76 S   HO   _H43    65     0.97240   107.44489   174.83806
  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
  18   2   1   1  13   5  12   6   5   8   4   7   5   4   6   3
   2   8  13  10   4  14   4  19  19   9   9   3   2   1  11   6
   5   6   3   6   4   3   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    71    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    66    71    72    73    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    71    39    40    41  
   42    43    44    50    39  
   40    41    42    47    50    51    57    66    67    71    72    73  
   41    50    66    71    72    73  
   50    66    71    72    73  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    66  
   49    50    51  
   50    51  
   51    52    53    54    57    66    67    71  
   52    53    54    55    56    57    58    63    66    67    71    72    73  
   53    54    55    56    57    74    66    67    71    59  
   54    55    56    66  
   55    56    57    58    63    68    74    75    76    66    59    60    61    62  
   56    57    74    59  
   57    58    63    64    65    68    69    70    74    75    76    77    66    67    71    59    60    61    62  
   58    63    64    65    68    69    70    74    75    76    66    67    71    72    73    59    60    61    62  
   63    64    65    68    74    66    67    71    59  
   60    61    62    63    66    68    74    75    76  
   61    62    74  
   62    74  
   74  
   64    65    68    69    70    74    75    76    66    67    71  
   65    68    69    70    74    66  
   68    69    70    74    66  
   67    71    72    73    68    74  
   71    72    73  
   69    70    74    75    76    77  
   70    74    75    76  
   74    75    76  
   72    73  
   73  
    0  
   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   0.167500   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  -0.716200   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    50   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   549.000  1.340
   51    52   380.000  1.444
   51    66   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   317.000  1.510
   56    57   268.000  1.529
   56    74   268.000  1.529
   56    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   320.000  1.410
   76    77   553.000  0.945
   66    67   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    65.00000  117.92700
   33    50    51    70.00000  124.00000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  110.12100
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    70.00000  123.01800
   50    51    66    70.00000  124.00000
   51    52    53    35.00000  120.00000
   51    52    54    70.00000  123.01800
   51    66    57    70.00000  112.02700
   51    66    67    35.00000  109.50000
   51    66    71    70.00000  112.02700
   52    54    55    35.00000  120.00000
   52    54    56    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    56    57    70.00000  112.02700
   54    56    74    70.00000  112.02700
   54    56    59    70.00000  112.02700
   56    54    55    35.00000  117.00000
   56    57    58    37.50000  110.70000
   56    57    63    58.35000  112.70000
   56    57    66    58.35000  112.70000
   56    74    68    58.35000  112.70000
   56    74    75    37.50000  110.70000
   56    74    76    50.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    68    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    71    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    74    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    76    50.00000  109.50000
   70    68    69    33.00000  107.80000
   74    56    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    76    77    55.00000  108.50000
   76    74    75    35.00000  109.50000
   66    51    52    70.00000  124.00000
   66    57    58    37.50000  110.70000
   66    57    63    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    39    58.35000  112.70000
   71    66    67    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    41    37.50000  110.70000
   73    71    72    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    70.00000  112.02700
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   41    39    40    33.00000  107.80000
   59    56    57    58.35000  112.70000
   59    56    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   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    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.30250  1.0 1.0
   29    33    50    47  -0.14950 -1.0 2.0
   29    33    50    47   0.36900  1.0 3.0
   29    33    50    51   0.42700  1.0 1.0
   29    33    50    51  -0.70350 -1.0 2.0
   29    33    50    51  -0.43150  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    51    52   7.00000 -1.0 2.0
   33    50    51    66   7.00000 -1.0 2.0
   37    33    50    47   0.09700  1.0 1.0
   37    33    50    47   0.15600 -1.0 2.0
   37    33    50    47  -0.50800  1.0 3.0
   37    33    50    51  -0.28300  1.0 1.0
   37    33    50    51   0.26700 -1.0 2.0
   37    33    50    51  -0.63300  1.0 3.0
   37    33    39    71   0.34400  1.0 1.0
   37    33    39    71   0.09450 -1.0 2.0
   37    33    39    71   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.31000  1.0 1.0
   42    44    47    50   0.14700 -1.0 2.0
   42    44    47    50   0.07550  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.46850  1.0 1.0
   44    47   -50    33   0.08550 -1.0 2.0
   44    47   -50    33   0.09800  1.0 3.0
   44    47    50    51   0.09850  1.0 1.0
   44    47    50    51   0.15250 -1.0 2.0
   44    47    50    51  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    52   7.00000 -1.0 2.0
   47    50    51    66   7.00000 -1.0 2.0
   48    47    50    33   0.34800  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   49    47    50    33   0.34800  1.0 3.0
   49    47    50    51   0.00000  1.0 1.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42  -0.28300  1.0 1.0
   50    33   -37    42   0.26700 -1.0 2.0
   50    33   -37    42  -0.63300  1.0 3.0
   50    33    39    71   0.34400  1.0 1.0
   50    33    39    71   0.09450 -1.0 2.0
   50    33    39    71   0.11100  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    51    52    53  -0.18600  1.0 3.0
   50    51    52    54   0.28850  1.0 1.0
   50    51    52    54   2.61350 -1.0 2.0
   50    51    52    54   0.78400  1.0 3.0
   50    51    66    57   0.09850  1.0 1.0
   50    51    66    57   0.15250 -1.0 2.0
   50    51    66    57  -0.50650  1.0 3.0
   50    51    66    67   0.00000  1.0 1.0
   50    51   -66    71   0.09850  1.0 1.0
   50    51   -66    71   0.15250 -1.0 2.0
   50    51   -66    71  -0.50650  1.0 3.0
   51    52    54    55   7.00000 -1.0 2.0
   51    52    54    56   7.00000 -1.0 2.0
   51    66    71    72   0.15000  1.0 3.0
   51    66    71    73   0.15000  1.0 3.0
   51    66    71    39   0.34400  1.0 1.0
   51    66    71    39   0.09450 -1.0 2.0
   51    66    71    39   0.11100  1.0 3.0
   52    51    66    57   0.98200  1.0 1.0
   52    51    66    57  -0.11900 -1.0 2.0
   52    51    66    57   0.24250  1.0 3.0
   52    51    66    67   0.00000  1.0 1.0
   52    51    66    71   0.98200  1.0 1.0
   52    51    66    71  -0.11900 -1.0 2.0
   52    51    66    71   0.24250  1.0 3.0
   52    54   -56    57   0.09850  1.0 1.0
   52    54   -56    57   0.15250 -1.0 2.0
   52    54   -56    57  -0.50650  1.0 3.0
   52    54    56    74   0.09850  1.0 1.0
   52    54    56    74   0.15250 -1.0 2.0
   52    54    56    74  -0.50650  1.0 3.0
   52    54    56    59   0.09850  1.0 1.0
   52    54    56    59   0.15250 -1.0 2.0
   52    54    56    59  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56    57    58   0.15000  1.0 3.0
   54    56    57    63   0.34400  1.0 1.0
   54    56    57    63   0.09450 -1.0 2.0
   54    56    57    63   0.11100  1.0 3.0
   54    56    57    66   0.34400  1.0 1.0
   54    56    57    66   0.09450 -1.0 2.0
   54    56    57    66   0.11100  1.0 3.0
   54    56    74    68   0.34400  1.0 1.0
   54    56    74    68   0.09450 -1.0 2.0
   54    56    74    68   0.11100  1.0 3.0
   54    56    74    75   0.15000  1.0 3.0
   54    56    74    76   1.05650  1.0 1.0
   54    56    74    76   0.15600 -1.0 2.0
   54    56    74    76   0.53150  1.0 3.0
   54    56    59    60   0.15000  1.0 3.0
   54    56    59    61   0.15000  1.0 3.0
   54    56    59    62   0.15000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    74   0.00000  1.0 1.0
   55    54    56    59   0.00000  1.0 1.0
   56    57    63    64   0.15000  1.0 3.0
   56    57    63    65   0.15000  1.0 3.0
   56    57   -63    68   0.56750  1.0 1.0
   56    57   -63    68  -0.07550 -1.0 2.0
   56    57   -63    68   0.20000  1.0 3.0
   56    57   -66    51   0.34400  1.0 1.0
   56    57   -66    51   0.09450 -1.0 2.0
   56    57   -66    51   0.11100  1.0 3.0
   56    57    66    67   0.15000  1.0 3.0
   56    57    66    71   0.56750  1.0 1.0
   56    57    66    71  -0.07550 -1.0 2.0
   56    57    66    71   0.20000  1.0 3.0
   56    74    76    77  -0.11600  1.0 1.0
   56    74    76    77  -0.09450 -1.0 2.0
   56    74    76    77   0.21250  1.0 3.0
   57    56   -74    68   0.56750  1.0 1.0
   57    56   -74    68  -0.07550 -1.0 2.0
   57    56   -74    68   0.20000  1.0 3.0
   57    56    74    75   0.15000  1.0 3.0
   57    56    74    76   0.86500  1.0 1.0
   57    56    74    76  -0.17500 -1.0 2.0
   57    56    74    76   0.20800  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    63    68    69   0.15000  1.0 3.0
   57    63    68    70   0.15000  1.0 3.0
   57    63   -68    74   0.56750  1.0 1.0
   57    63   -68    74  -0.07550 -1.0 2.0
   57    63   -68    74   0.20000  1.0 3.0
   57    66    71    72   0.15000  1.0 3.0
   57    66    71    73   0.15000  1.0 3.0
   57    66    71    39   0.56750  1.0 1.0
   57    66    71    39  -0.07550 -1.0 2.0
   57    66    71    39   0.20000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    68   0.15000  1.0 3.0
   58    57    66    51   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    71   0.15000  1.0 3.0
   63    57    66    51   0.34400  1.0 1.0
   63    57    66    51   0.09450 -1.0 2.0
   63    57    66    51   0.11100  1.0 3.0
   63    57    66    67   0.15000  1.0 3.0
   63    57    66    71   0.56750  1.0 1.0
   63    57    66    71  -0.07550 -1.0 2.0
   63    57    66    71   0.20000  1.0 3.0
   63    68   -74    56   0.56750  1.0 1.0
   63    68   -74    56  -0.07550 -1.0 2.0
   63    68   -74    56   0.20000  1.0 3.0
   63    68    74    75   0.15000  1.0 3.0
   63    68    74    76   0.86500  1.0 1.0
   63    68    74    76  -0.17500 -1.0 2.0
   63    68    74    76   0.20800  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    74   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    74   0.15000  1.0 3.0
   68    74    76    77  -0.11600  1.0 1.0
   68    74    76    77  -0.09450 -1.0 2.0
   68    74    76    77   0.21250  1.0 3.0
   69    68    74    56   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.23400  1.0 3.0
   70    68    74    56   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.23400  1.0 3.0
   74    56    57    58   0.15000  1.0 3.0
   74    56   -57    63   0.56750  1.0 1.0
   74    56   -57    63  -0.07550 -1.0 2.0
   74    56   -57    63   0.20000  1.0 3.0
   74    56    57    66   0.56750  1.0 1.0
   74    56    57    66  -0.07550 -1.0 2.0
   74    56    57    66   0.20000  1.0 3.0
   74    56    59    60   0.15000  1.0 3.0
   74    56    59    61   0.15000  1.0 3.0
   74    56    59    62   0.15000  1.0 3.0
   75    74    76    77   0.19450  1.0 3.0
   66    51    52    53   0.00000  1.0 1.0
   66    51   -52    54  -0.18600  1.0 3.0
   66    57    63    64   0.15000  1.0 3.0
   66    57    63    65   0.15000  1.0 3.0
   66    57    63    68   0.56750  1.0 1.0
   66    57    63    68  -0.07550 -1.0 2.0
   66    57    63    68   0.20000  1.0 3.0
   66    71   -39    33   0.56750  1.0 1.0
   66    71   -39    33  -0.07550 -1.0 2.0
   66    71   -39    33   0.20000  1.0 3.0
   66    71    39    40   0.15000  1.0 3.0
   66    71    39    41   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    39   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.46850  1.0 1.0
   39    33    50    47   0.08550 -1.0 2.0
   39    33    50    47   0.09800  1.0 3.0
   39    33   -50    51   0.09850  1.0 1.0
   39    33   -50    51   0.15250 -1.0 2.0
   39    33   -50    51  -0.50650  1.0 3.0
   59    56    57    58   0.15000  1.0 3.0
   59    56    57    63   0.56750  1.0 1.0
   59    56    57    63  -0.07550 -1.0 2.0
   59    56    57    63   0.20000  1.0 3.0
   59    56    57    66   0.56750  1.0 1.0
   59    56    57    66  -0.07550 -1.0 2.0
   59    56    57    66   0.20000  1.0 3.0
   59    56    74    68   0.56750  1.0 1.0
   59    56    74    68  -0.07550 -1.0 2.0
   59    56    74    68   0.20000  1.0 3.0
   59    56    74    75   0.15000  1.0 3.0
   59    56    74    76   0.86500  1.0 1.0
   59    56    74    76  -0.17500 -1.0 2.0
   59    56    74    76   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   33    47    50    51   1.10000 -1.0 2.0
   52    66    51    50   1.10000 -1.0 2.0
   51    53    52    54   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
END
