* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    149    240     448
    1     0 S   NP   _N1_     1    29.11731    97.25323   -19.43968
    2     1 S   H    _HN1     2     1.02786    78.09578   -89.82718
    3     1 S   H    _H1_     3     1.02947    76.25500    22.62473
    4     1 S   H    _H2_     4     1.02835    53.18499   146.87335
    5     1 S   CT   _CA1     5     1.50125   163.80238   139.25893
    6     5 S   HC   _HA1     6     1.09582   105.20857    66.02150
    7     5 S   CO3  _C1_     7     1.53807   112.09232   -54.11372
    8     7 S   O2Z  _O11     8     1.26370   115.02742   -50.77765
    9     7 S   O2Z  _O12     9     1.26219   114.85158   127.95992
   10     5 S   CT   _CB1    10     1.53052   107.37783  -176.22493
   11    10 S   HC   HB11    11     1.09834   109.38895   -50.39575
   12    10 S   HC   HB12    12     1.09814   110.48601    66.17488
   13    10 S   CT   _CG1    13     1.52999   112.59212  -171.37680
   14    13 S   HC   HG11    14     1.09611   110.54651   -63.57170
   15    13 S   HC   HG12    15     1.09655   109.92964    55.69351
   16    13 S   C    _CD1    16     1.51825   112.08851   176.09199
   17    16 S   O    _OE1    17     1.22746   123.24488     2.63522
   18    16 S   N    _N2_    18     1.38617   111.74309  -177.61961
   19    18 S   H    _HN2    19     1.01590   119.01014     2.05766
   20    18 S   CT1  _CA2    20     1.46303   123.31695  -179.62413
   21    20 S   HC   _HA2    21     1.09735   109.39673    -4.43597
   22    20 S   C    _C2_    22     1.53407   108.58055  -120.06134
   23    22 S   O    _O2_    23     1.23043   122.31544  -148.10026
   24    20 S   CT   _CB2    32     1.53571   111.38203   117.49570
   25    24 S   HC   HB21    33     1.09278   108.93435    57.81758
   26    24 S   HC   HB22    34     1.09413   110.01167   176.50229
   27    22 S   N    _N3_    24     1.38348   113.56341    39.37770
   28    27 S   H    _HN3    25     1.01627   119.50933    -3.60027
   29    24 S   S    _SG2    35     1.82972   110.73775   -63.76147
   30    27 S   CT   _CA3    26     1.45284   123.13135   176.98767
   31    30 S   HC   HA31    27     1.09552   107.53508   -63.68566
   32    30 S   HC   HA32    28     1.09559   107.93462    52.71775
   33    29 S   CT   _C9_    36     1.89406   102.94027   167.14264
   34    30 S   CO3  _C3_    29     1.52936   114.14677   174.70679
   35    34 S   O2Z  _O31    30     1.26366   116.06997    -0.35332
   36    34 S   O2Z  _O32    31     1.26431   114.40808   179.70261
   37    33 S   CT   _C10    37     1.55556   104.75202    65.64115
   38    37 S   HC   _H12    38     1.09973   110.53826    47.14858
   39    37 S   HC   _H13    39     1.09839   110.36662   -67.82752
   40    33 S   CT   _C8_    61     1.57265   111.99546   -54.48256
   41    40 S   HC   _H4_    62     1.09973   105.75870    72.85272
   42    33 S   CT   _C20    75     1.55011   103.27719  -176.95367
   43    42 S   HC   _H21    76     1.08971   112.03594   172.97412
   44    42 S   HC   _H22    77     1.09395   111.74793    52.56577
   45    37 S   CT   _C11    40     1.52422   116.12941   169.27037
   46    45 S   HC   _H5_    41     1.09813   109.58480   -61.91272
   47    42 S   OH   _O38    78     1.42707   111.70916   -68.04055
   48    47 S   HO   _H23    79     0.97249   107.09258   176.95155
   49    45 S   CT   _C12    42     1.52112   114.43661    65.19883
   50    49 S   HC   _H6_    43     1.09818   111.09621    42.44061
   51    49 S   CM   _C17    44     1.49485    98.48085   154.25521
   52    49 S   CT   _C13    51     1.52746   111.39186   -81.62082
   53    52 S   HC   _H14    52     1.09783   108.98658  -153.74526
   54    52 S   HC   _H15    53     1.09604   109.31404   -39.16092
   55    51 S   CO4  _C19    45     1.48094   107.87216   -28.24065
   56    55 S   O    _O36    46     1.21707   127.28015  -166.93705
   57    51 S   CM   _C18    48     1.33568   130.91218   150.81201
   58    57 S   HC   _H19    49     1.08395   121.58518     1.09825
   59    57 S   HC   _H20    50     1.08559   121.50542  -179.41483
   60    52 S   CT   _C14    54     1.53983   113.62076    86.00190
   61    45 S   OS   _O37    47     1.44109   108.95321  -177.70859
   62    60 S   CM   _C15    55     1.51661   115.76925  -161.89733
   63    60 S   OH   _O35    73     1.44687   105.94539    80.91908
   64    63 S   HO   _H18    74     0.97297   108.01434    65.79046
   65    62 S   CT   _C6_    56     1.50646   110.10418   158.71930
   66    65 S   HC   _H3_    57     1.09725   110.13210   113.57766
   67    62 S   CM   _C16    70     1.34117   126.88210   -19.38011
   68    67 S   HC   _H16    71     1.08396   122.09868    -1.64758
   69    67 S   HC   _H17    72     1.08556   120.85634   179.03734
   70    65 S   CT   _C7_    58     1.52935   104.36687    -5.57162
   71    70 S   HC   _H10    59     1.09917   108.32318    98.60751
   72    70 S   HC   _H11    60     1.09059   112.27758  -144.57886
   73    65 S   OS   _O34    63     1.43519   109.95202  -124.57906
   74    73 S   CO4  _C5_    64     1.36400   116.29219  -165.24731
   75    74 S   O    _O33    65     1.22303   126.18503     0.33862
   76    74 S   CT   _C4_    66     1.49784   109.60182  -178.53794
   77    76 S   HC   _H7_    67     1.09317   109.95508   -52.62045
   78    76 S   HC   _H8_    68     1.09349   109.35612  -171.20730
   79    76 S   HC   _H9_    69     1.09266   109.69898    69.22143
  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  13   5   4   3
  22   2   1   1  18   7   6  21   9   7   3   2  12   6   1   1
  14   8  10  12   4   3   5   2   3   1   1  12   1  12   4   1
  11   6   4   1   1   4   2   1   6   5   4   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    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    60    70    40    41    42    43    44    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    49    61    52    60    62    65    70    71    72    40    41    63    42    43    44    47    48  
   35    36  
   36  
    0  
   38    39    45    46    49    50    51    55    61    52    60    70    40    41    42    43    44    47  
   39    45    46    49    61    40    42  
   45    46    49    61    40    42  
   41    73    67    63    64    42    43    44    47    45    49    52    53    54    60    62    65    66    70    71    72  
   63    42    52    60    62    65    70    71    72  
   43    44    47    48    45    60    70  
   44    47    48  
   47    48  
   46    49    50    51    55    56    61    57    52    53    54    60  
   49    50    51    55    61    52  
   48  
    0  
   50    51    55    56    61    57    58    59    52    53    54    60    62    63  
   51    55    61    57    52    53    54    60  
   55    56    61    57    58    59    52    53    54    60  
   53    54    60    62    65    70    67    63    64    55    57    61  
   54    60    62    63  
   60    62    63  
   56    61    57    58    59  
   61    57  
   58    59    61  
   59  
    0  
   62    65    66    70    71    72    73    67    68    69    63    64  
    0  
   65    66    70    71    72    73    74    67    68    69    63    64  
   64    65    67    70  
    0  
   66    70    71    72    73    74    75    76    67    68    69  
   70    71    72    73    74    67  
   68    69    70    73  
   69  
    0  
   71    72    73    74  
   72    73  
   73  
   74    75    76    77    78    79  
   75    76    77    78    79  
   76    77    78    79  
   77    78    79  
   78    79  
   79  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   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    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   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    49   268.000  1.529
   45    61   320.000  1.410
   49    50   340.000  1.090
   49    51   317.000  1.510
   49    52   268.000  1.529
   51    55   320.000  1.462
   51    57   549.000  1.340
   55    56   570.000  1.229
   55    61   214.000  1.327
   57    58   340.000  1.080
   57    59   340.000  1.080
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    60   268.000  1.529
   60    62   317.000  1.510
   60    40   268.000  1.529
   60    63   320.000  1.410
   62    65   317.000  1.510
   62    67   549.000  1.340
   65    66   340.000  1.090
   65    70   268.000  1.529
   65    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    40   268.000  1.529
   40    41   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   320.000  1.410
   47    48   553.000  0.945
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  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    60    58.35000  112.70000
   33    40    70    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    47    50.00000  109.50000
   37    45    46    37.50000  110.70000
   37    45    49    58.35000  112.70000
   37    45    61    50.00000  109.50000
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    49    50    37.50000  110.70000
   45    49    51    70.00000  112.02700
   45    49    52    58.35000  112.70000
   45    61    55    83.00000  116.90000
   49    45    46    37.50000  110.70000
   49    51    55    65.00000  116.34900
   49    51    57    70.00000  124.00000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    60    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    55    56    80.00000  123.72100
   51    55    61    90.00000  111.29400
   51    57    58    35.00000  120.00000
   51    57    59    35.00000  120.00000
   61    45    46    35.00000  109.50000
   61    45    49    50.00000  109.50000
   61    55    56    83.00000  123.40000
   57    51    55    65.00000  118.96000
   59    57    58    35.00000  117.00000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.02700
   52    60    62    70.00000  112.02700
   52    60    40    58.35000  112.70000
   52    60    63    50.00000  109.50000
   54    52    53    33.00000  107.80000
   60    52    53    37.50000  110.70000
   60    52    54    37.50000  110.70000
   60    62    65    65.00000  117.92700
   60    62    67    70.00000  124.00000
   60    40    70    58.35000  112.70000
   60    40    41    37.50000  110.70000
   60    63    64    55.00000  108.50000
   62    65    66    35.00000  109.50000
   62    65    70    70.00000  112.02700
   62    65    73    85.00000  110.90400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   65    70    71    37.50000  110.70000
   65    70    72    37.50000  110.70000
   65    70    40    58.35000  112.70000
   65    73    74    83.00000  116.90000
   70    65    66    37.50000  110.70000
   70    40    41    37.50000  110.70000
   72    70    71    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    60    62    70.00000  112.02700
   40    70    71    37.50000  110.70000
   40    70    72    37.50000  110.70000
   73    65    66    35.00000  109.50000
   73    65    70    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    81.00000  111.40000
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   76    74    75    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    62    65    70.00000  124.00000
   69    67    68    35.00000  117.00000
   63    60    62    90.00000  110.39200
   63    60    40    50.00000  109.50000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    47    48    55.00000  108.50000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    40    60   0.44750  1.0 1.0
   29    33    40    60  -0.17800 -1.0 2.0
   29    33    40    60   0.20200  1.0 3.0
   29    33    40    70   0.44750  1.0 1.0
   29    33    40    70  -0.17800 -1.0 2.0
   29    33    40    70   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    47   0.56750  1.0 1.0
   29    33    42    47  -0.07550 -1.0 2.0
   29    33    42    47   0.20000  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    49   0.56750  1.0 1.0
   33    37    45    49  -0.07550 -1.0 2.0
   33    37    45    49   0.20000  1.0 3.0
   33    37    45    61   0.62750  1.0 1.0
   33    37    45    61  -0.30950 -1.0 2.0
   33    37    45    61   0.27300  1.0 3.0
   33    42    47    48  -0.11600  1.0 1.0
   33    42    47    48  -0.09450 -1.0 2.0
   33    42    47    48   0.21250  1.0 3.0
   37    33    40    60   0.56750  1.0 1.0
   37    33    40    60  -0.07550 -1.0 2.0
   37    33    40    60   0.20000  1.0 3.0
   37    33    40    70   0.56750  1.0 1.0
   37    33    40    70  -0.07550 -1.0 2.0
   37    33    40    70   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    47   0.86500  1.0 1.0
   37    33    42    47  -0.17500 -1.0 2.0
   37    33    42    47   0.20800  1.0 3.0
   37    45    49    50   0.15000  1.0 3.0
   37    45    49    51   0.34400  1.0 1.0
   37    45    49    51   0.09450 -1.0 2.0
   37    45    49    51   0.11100  1.0 3.0
   37    45    49    52   0.56750  1.0 1.0
   37    45    49    52  -0.07550 -1.0 2.0
   37    45    49    52   0.20000  1.0 3.0
   37    45    61    55  -0.25900  1.0 1.0
   37    45    61    55  -0.47000 -1.0 2.0
   37    45    61    55   0.11750  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    49   0.15000  1.0 3.0
   38    37    45    61   0.23400  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    49   0.15000  1.0 3.0
   39    37    45    61   0.23400  1.0 3.0
   45    49   -51    55   0.09700  1.0 1.0
   45    49   -51    55   0.15600 -1.0 2.0
   45    49   -51    55  -0.50800  1.0 3.0
   45    49    51    57   0.09850  1.0 1.0
   45    49    51    57   0.15250 -1.0 2.0
   45    49    51    57  -0.50650  1.0 3.0
   45    49    52    53   0.15000  1.0 3.0
   45    49    52    54   0.15000  1.0 3.0
   45    49    52    60   0.56750  1.0 1.0
   45    49    52    60  -0.07550 -1.0 2.0
   45    49    52    60   0.20000  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    51   0.15000  1.0 3.0
   46    45    49    52   0.15000  1.0 3.0
   46    45    61    55   0.08050  1.0 3.0
   49    45   -61    55  -0.25900  1.0 1.0
   49    45   -61    55  -0.47000 -1.0 2.0
   49    45   -61    55   0.11750  1.0 3.0
   49    51    55    56  -0.64400  1.0 1.0
   49    51    55    56   0.26850 -1.0 2.0
   49    51   -55    61  -0.15000  1.0 1.0
   49    51   -55    61   0.89550 -1.0 2.0
   49    51   -55    61  -0.06900  1.0 3.0
   49    51    57    58   7.00000 -1.0 2.0
   49    51    57    59   7.00000 -1.0 2.0
   49    52    60    62   0.34400  1.0 1.0
   49    52    60    62   0.09450 -1.0 2.0
   49    52    60    62   0.11100  1.0 3.0
   49    52    60    40   0.56750  1.0 1.0
   49    52    60    40  -0.07550 -1.0 2.0
   49    52    60    40   0.20000  1.0 3.0
   49    52    60    63   0.86500  1.0 1.0
   49    52    60    63  -0.17500 -1.0 2.0
   49    52    60    63   0.20800  1.0 3.0
   50    49    51    55   0.15000  1.0 3.0
   50    49    51    57   0.00000  1.0 1.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    60   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    60   0.34400  1.0 1.0
   51    49    52    60   0.09450 -1.0 2.0
   51    49    52    60   0.11100  1.0 3.0
   51    55   -61    45   2.00000 -1.0 2.0
   55    51    57    58   7.00000 -1.0 2.0
   55    51    57    59   7.00000 -1.0 2.0
   56    55    61    45   3.00000 -1.0 2.0
   61    45    49    50   0.23400  1.0 3.0
   61    45   -49    51   0.61850  1.0 1.0
   61    45   -49    51  -0.22750 -1.0 2.0
   61    45   -49    51   0.15300  1.0 3.0
   61    45    49    52   0.62750  1.0 1.0
   61    45    49    52  -0.30950 -1.0 2.0
   61    45    49    52   0.27300  1.0 3.0
   57    51    55    56   1.00000 -1.0 2.0
   57    51    55    61  -0.56150  1.0 1.0
   57    51    55    61   2.19150 -1.0 2.0
   52    49    51    55   0.09700  1.0 1.0
   52    49    51    55   0.15600 -1.0 2.0
   52    49    51    55  -0.50800  1.0 3.0
   52    49    51    57   0.09850  1.0 1.0
   52    49    51    57   0.15250 -1.0 2.0
   52    49    51    57  -0.50650  1.0 3.0
   52    60    62    65   0.46850  1.0 1.0
   52    60    62    65   0.08550 -1.0 2.0
   52    60    62    65   0.09800  1.0 3.0
   52    60    62    67   0.09850  1.0 1.0
   52    60    62    67   0.15250 -1.0 2.0
   52    60    62    67  -0.50650  1.0 3.0
   52    60    40    33   0.56750  1.0 1.0
   52    60    40    33  -0.07550 -1.0 2.0
   52    60    40    33   0.20000  1.0 3.0
   52    60    40    70   0.56750  1.0 1.0
   52    60    40    70  -0.07550 -1.0 2.0
   52    60    40    70   0.20000  1.0 3.0
   52    60    40    41   0.15000  1.0 3.0
   52    60    63    64  -0.11600  1.0 1.0
   52    60    63    64  -0.09450 -1.0 2.0
   52    60    63    64   0.21250  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    40   0.15000  1.0 3.0
   53    52    60    63   0.23400  1.0 3.0
   54    52    60    62   0.15000  1.0 3.0
   54    52    60    40   0.15000  1.0 3.0
   54    52    60    63   0.23400  1.0 3.0
   60    62    65    66   0.34800  1.0 3.0
   60    62   -65    70   0.46850  1.0 1.0
   60    62   -65    70   0.08550 -1.0 2.0
   60    62   -65    70   0.09800  1.0 3.0
   60    62    65    73   0.09700  1.0 1.0
   60    62    65    73   0.15600 -1.0 2.0
   60    62    65    73  -0.50800  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   62    60    40    33   0.34400  1.0 1.0
   62    60    40    33   0.09450 -1.0 2.0
   62    60    40    33   0.11100  1.0 3.0
   62    60   -40    70   0.34400  1.0 1.0
   62    60   -40    70   0.09450 -1.0 2.0
   62    60   -40    70   0.11100  1.0 3.0
   62    60    40    41   0.15000  1.0 3.0
   62    60    63    64  -0.07800  1.0 1.0
   62    60    63    64  -0.21500 -1.0 2.0
   62    60    63    64  -0.03150  1.0 3.0
   62    65    70    71   0.15000  1.0 3.0
   62    65    70    72   0.15000  1.0 3.0
   62    65   -70    40   0.34400  1.0 1.0
   62    65   -70    40   0.09450 -1.0 2.0
   62    65   -70    40   0.11100  1.0 3.0
   62    65    73    74  -0.82050  1.0 1.0
   62    65    73    74   0.00600 -1.0 2.0
   62    65    73    74   0.04400  1.0 3.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   65    70    40    33   0.56750  1.0 1.0
   65    70    40    33  -0.07550 -1.0 2.0
   65    70    40    33   0.20000  1.0 3.0
   65    70   -40    60   0.56750  1.0 1.0
   65    70   -40    60  -0.07550 -1.0 2.0
   65    70   -40    60   0.20000  1.0 3.0
   65    70    40    41   0.15000  1.0 3.0
   65    73    74    75   3.00000 -1.0 2.0
   65    73    74    76   1.63150  1.0 1.0
   65    73    74    76   2.92000 -1.0 2.0
   66    65    70    71   0.15000  1.0 3.0
   66    65    70    72   0.15000  1.0 3.0
   66    65    70    40   0.15000  1.0 3.0
   66    65    73    74   0.08050  1.0 3.0
   70    65    73    74  -0.25900  1.0 1.0
   70    65    73    74  -0.47000 -1.0 2.0
   70    65    73    74   0.11750  1.0 3.0
   71    70    40    33   0.15000  1.0 3.0
   71    70    40    60   0.15000  1.0 3.0
   71    70    40    41   0.15000  1.0 3.0
   72    70    40    33   0.15000  1.0 3.0
   72    70    40    60   0.15000  1.0 3.0
   72    70    40    41   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    47   0.86500  1.0 1.0
   40    33    42    47  -0.17500 -1.0 2.0
   40    33    42    47   0.20800  1.0 3.0
   40    60   -62    65   0.46850  1.0 1.0
   40    60   -62    65   0.08550 -1.0 2.0
   40    60   -62    65   0.09800  1.0 3.0
   40    60    62    67   0.09850  1.0 1.0
   40    60    62    67   0.15250 -1.0 2.0
   40    60    62    67  -0.50650  1.0 3.0
   40    60    63    64  -0.11600  1.0 1.0
   40    60    63    64  -0.09450 -1.0 2.0
   40    60    63    64   0.21250  1.0 3.0
   73    65    70    71   0.23400  1.0 3.0
   73    65    70    72   0.23400  1.0 3.0
   73    65    70    40   0.62750  1.0 1.0
   73    65    70    40  -0.30950 -1.0 2.0
   73    65    70    40   0.27300  1.0 3.0
   73    74    76    77   0.00000  1.0 1.0
   73    74    76    78   0.00000  1.0 1.0
   73    74    76    79   0.00000  1.0 1.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   67    62    65    66   0.00000  1.0 1.0
   67    62    65    70   0.09850  1.0 1.0
   67    62    65    70   0.15250 -1.0 2.0
   67    62    65    70  -0.50650  1.0 3.0
   67    62    65    73   0.39000  1.0 1.0
   67    62    65    73  -0.05800 -1.0 2.0
   67    62    65    73  -0.55150  1.0 3.0
   63    60    62    65   0.18000  1.0 1.0
   63    60    62    65   0.16450 -1.0 2.0
   63    60    62    65   0.04450  1.0 3.0
   63    60    62    67   0.67800  1.0 1.0
   63    60    62    67   0.47050 -1.0 2.0
   63    60    62    67  -0.62500  1.0 3.0
   63    60    40    33   0.86500  1.0 1.0
   63    60    40    33  -0.17500 -1.0 2.0
   63    60    40    33   0.20800  1.0 3.0
   63    60    40    70   0.86500  1.0 1.0
   63    60    40    70  -0.17500 -1.0 2.0
   63    60    40    70   0.20800  1.0 3.0
   63    60    40    41   0.23400  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    60   0.56750  1.0 1.0
   42    33    40    60  -0.07550 -1.0 2.0
   42    33    40    60   0.20000  1.0 3.0
   42    33    40    70   0.56750  1.0 1.0
   42    33    40    70  -0.07550 -1.0 2.0
   42    33    40    70   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   43    42    47    48   0.19450  1.0 3.0
   44    42    47    48   0.19450  1.0 3.0
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
   49    55    51    57   1.10000 -1.0 2.0
   51    61    55    56  10.50000 -1.0 2.0
   58    59    57    51   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
END
