* LIGAND DATABASE FILE (OPLS2005)
*
001      80    80    144    214     422
    1     0 S   NP   _N1_     1    28.83958    95.73332   -22.63288
    2     1 S   H    _HN1     2     1.02783    96.99877   -79.63979
    3     1 S   H    _H1_     3     1.02954    77.65832    27.68672
    4     1 S   H    _H2_     4     1.02830    37.01787   169.79462
    5     1 S   CT   _CA1     5     1.50105   144.03340   135.48771
    6     5 S   HC   _HA1     6     1.09578   105.20879    80.40646
    7     5 S   CO3  _C1_     7     1.53793   112.47053   -39.77239
    8     7 S   O2Z  _O11     8     1.26357   115.00317   -42.98046
    9     7 S   O2Z  _O12     9     1.26247   114.93663   136.20428
   10     5 S   CT   _CB1    10     1.53097   107.42648  -161.68901
   11    10 S   HC   HB11    11     1.09825   109.33919   -50.86837
   12    10 S   HC   HB12    12     1.09814   110.45417    65.73878
   13    10 S   CT   _CG1    13     1.52943   112.56783  -171.92873
   14    13 S   HC   HG11    14     1.09576   110.43213   -65.62029
   15    13 S   HC   HG12    15     1.09666   109.90536    53.59179
   16    13 S   C    _CD1    16     1.51779   112.44615   174.16400
   17    16 S   O    _OE1    17     1.22703   123.34357     3.58736
   18    16 S   N    _N2_    18     1.38611   111.46423  -176.52740
   19    18 S   H    _HN2    19     1.01547   118.90287     2.52104
   20    18 S   CT1  _CA2    20     1.46202   123.58527   179.06518
   21    20 S   HC   _HA2    21     1.09733   109.40094    -3.56623
   22    20 S   C    _C2_    22     1.53522   108.24718  -118.94542
   23    22 S   O    _O2_    23     1.23029   122.46203  -148.07721
   24    20 S   CT   _CB2    32     1.53463   111.53128   118.61796
   25    24 S   HC   HB21    33     1.09418   109.74923    55.18285
   26    24 S   HC   HB22    34     1.09470   109.68316   173.98657
   27    22 S   N    _N3_    24     1.38385   113.53110    39.34775
   28    27 S   H    _HN3    25     1.01612   119.47870    -3.41673
   29    24 S   S    _SG2    35     1.83468   111.07895   -66.37917
   30    27 S   CT   _CA3    26     1.45278   123.20067   177.10078
   31    30 S   HC   HA31    27     1.09550   107.48159   -64.94958
   32    30 S   HC   HA32    28     1.09556   108.01566    51.48904
   33    29 S   CT   _C13    36     1.86564   102.05863   173.00395
   34    33 S   OM   _O36    37     1.32260   108.41683    56.02760
   35    30 S   CO3  _C3_    29     1.52948   114.08150   173.45692
   36    35 S   O2Z  _O31    30     1.26377   116.05017    -2.24672
   37    35 S   O2Z  _O32    31     1.26428   114.41748   177.84106
   38    33 S   CT   _C12    38     1.54488   106.04369   171.55687
   39    38 S   HC   _H11    39     1.09719   111.89307    53.18322
   40    38 S   HC   _H12    40     1.10043   111.86383   -66.23108
   41    38 S   CO4  _C11    41     1.51639   112.52168   172.56030
   42    41 S   O    _O35    42     1.23207   121.22154   136.58337
   43    41 S   CT   _C10    43     1.51236   117.42242   -49.64041
   44    43 S   HC   _H9_    44     1.09682   106.74067   169.16139
   45    43 S   HC   _H10    45     1.09509   107.22959   -75.09809
   46    43 S   CT   _C9_    46     1.53497   112.78296    48.02978
   47    33 S   CT   _C8_    47     1.57061   113.09194   -66.34321
   48    47 S   HC   _H3_    48     1.10106   108.02924    72.36008
   49    46 S   CT   _C14    60     1.54762   111.23382  -172.22252
   50    49 S   HC   _H13    61     1.09479   111.44420    65.66209
   51    49 S   HC   _H14    62     1.09760   110.29831  -175.79215
   52    46 S   OH   _O40    79     1.43862   107.94717    72.64827
   53    52 S   HO   _H21    80     0.97514   107.76944   -75.69085
   54    47 S   CO4  _C7_    49     1.54270   112.16357   -44.84758
   55    54 S   O    _O34    50     1.23117   121.91191   -59.50957
   56    49 S   CO4  _C15    63     1.52552   114.19856   -56.31079
   57    56 S   O    _O37    64     1.23103   120.83007   -72.39344
   58    54 S   CT   _C6_    51     1.51700   116.75786   119.53775
   59    58 S   HC   _H7_    52     1.09447   109.65892    30.85793
   60    58 S   HC   _H8_    53     1.09297   107.21610   -87.25933
   61    56 S   CT   _C16    65     1.53261   115.95415   107.08744
   62    61 S   HC   _H15    66     1.09767   107.59261   -58.34633
   63    61 S   HC   _H16    67     1.09935   107.98681    55.70239
   64    58 S   CO4  _C5_    54     1.51297   115.34872   151.30356
   65    64 S   O    _O33    55     1.23023   122.58185   -26.71833
   66    61 S   CMA  _C17    68     1.52671   113.17453  -179.93744
   67    66 S   OM   _O39    69     1.26222   111.44857   -95.12018
   68    64 S   CT   _C4_    56     1.50638   116.35709   157.02173
   69    68 S   HC   _H4_    57     1.09262   109.47918    65.20723
   70    68 S   HC   _H5_    58     1.09347   109.73632  -174.94968
   71    68 S   HC   _H6_    59     1.09229   109.71802   -55.74255
   72    66 S   CM   _C18    70     1.35174   116.05782    86.12925
   73    72 S   HC   _H17    71     1.08750   119.26002    -1.21499
   74    72 S   CO4  _C19    72     1.49142   124.19215   179.35959
   75    74 S   O    _O38    73     1.22192   125.20047    -0.93837
   76    74 S   S    _S1_    74     1.76496   112.26713   179.20132
   77    76 S   CT   _C20    75     1.80578   100.27572  -179.09713
   78    77 S   HC   _H18    76     1.09325   109.27328   179.83807
   79    77 S   HC   _H19    77     1.09340   110.53415    60.50656
   80    77 S   HC   _H20    78     1.09339   110.53868   -60.83483
  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  10   5   4   3
  15   8   2   1   1  11   5   4   8   4  12   5   4  13  13   5
  11   5   4   3   1   7   4   7   4   8   4   3   7   4   3   5
   4   6   3   3   2   1   1   5   3   6   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    47    48    54  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    54    55    58    49    52  
   38    39    40    41    46    47    48    54  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    47    48    54  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    47    49    52  
   43    44    45    46  
   44    45    46    47    48    54    49    50    51    56    52    53  
   45    46    47    49    52  
   46    47    49    52  
   47    48    54    55    58    49    50    51    56    57    61    52    53  
   48    54    55    58    59    60    64    49    50    51    56    52    53  
   54    55    58    49    52  
   50    51    56    57    61    62    63    66    52    53    54  
   51    56    57    61    52  
   56    57    61    52  
   53    54    56  
    0  
   55    58    59    60    64    65    68  
   58    59    60    64  
   57    61    62    63    66    67    72  
   61    62    63    66  
   59    60    64    65    68    69    70    71  
   60    64    65    68  
   64    65    68  
   62    63    66    67    72    73    74  
   63    66    67    72  
   66    67    72  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    75    76  
   72    73    74  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77  
   74    75    76  
   75    76    77    78    79    80  
   76    77  
   77    78    79    80  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   67   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   77   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   268.000  1.529
   46    49   268.000  1.529
   46    52   320.000  1.410
   47    48   340.000  1.090
   47    54   317.000  1.522
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    64   317.000  1.522
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    56   317.000  1.522
   56    57   570.000  1.229
   56    61   317.000  1.522
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    66   270.000  1.512
   66    67   745.000  1.250
   66    72   465.000  1.376
   72    73   340.000  1.080
   72    74   320.000  1.462
   74    75   570.000  1.229
   74    76   210.000  1.799
   76    77   222.000  1.810
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   52    53   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    46    58.35000  112.70000
   33    47    48    37.50000  110.70000
   33    47    54    63.00000  111.10000
   38    33    34    50.00000  109.50000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    58.35000  112.70000
   43    46    49    58.35000  112.70000
   43    46    52    50.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    47    48    37.50000  110.70000
   46    47    54    63.00000  111.10000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    56    63.00000  111.10000
   46    52    53    55.00000  108.50000
   47    33    34    50.00000  109.50000
   47    33    38    58.35000  112.70000
   47    54    55    80.00000  120.40000
   47    54    58    70.00000  116.00000
   54    47    48    35.00000  109.50000
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    64    75.00000  107.99600
   58    54    55    80.00000  120.40000
   58    64    65    80.00000  120.40000
   58    64    68    70.00000  116.00000
   60    58    59    33.00000  107.80000
   64    58    59    35.00000  109.50000
   64    58    60    35.00000  109.50000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   49    46    47    58.35000  112.70000
   49    56    57    80.00000  120.40000
   49    56    61    70.00000  116.00000
   51    49    50    33.00000  107.80000
   56    49    50    35.00000  109.50000
   56    49    51    35.00000  109.50000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    66    70.00000  109.06800
   61    56    57    80.00000  120.40000
   61    66    67    85.00000  112.85300
   61    66    72    65.00000  122.18000
   63    61    62    33.00000  107.80000
   66    61    62    45.00000  110.52000
   66    61    63    45.00000  110.52000
   66    72    73    40.00000  120.50800
   66    72    74    60.00000  125.92000
   72    66    67    65.00000  137.10300
   72    74    75    80.00000  123.72100
   72    74    76    65.00000  119.00000
   74    72    73    40.00000  117.72500
   74    76    77    90.00000   96.72000
   76    74    75    80.00000  121.30200
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   52    46    47    50.00000  109.50000
   52    46    49    50.00000  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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    46   0.44750  1.0 1.0
   29    33    47    46  -0.17800 -1.0 2.0
   29    33    47    46   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    54   0.56750  1.0 1.0
   29    33    47    54  -0.07550 -1.0 2.0
   29    33    47    54   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    47    54    55   0.30150 -1.0 2.0
   33    47    54    58   0.60050  1.0 1.0
   33    47    54    58   0.05600 -1.0 2.0
   33    47    54    58   0.26150  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.09450  1.0 1.0
   34    33    38    41  -1.12950 -1.0 2.0
   34    33    38    41   0.54000  1.0 3.0
   34    33    47    46   0.62750  1.0 1.0
   34    33    47    46  -0.30950 -1.0 2.0
   34    33    47    46   0.27300  1.0 3.0
   34    33    47    48   0.23400  1.0 3.0
   34    33    47    54  -0.09450  1.0 1.0
   34    33    47    54  -1.12950 -1.0 2.0
   34    33    47    54   0.54000  1.0 3.0
   38    33    47    46   0.56750  1.0 1.0
   38    33    47    46  -0.07550 -1.0 2.0
   38    33    47    46   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    54  -0.95700  1.0 1.0
   38    33    47    54  -0.18200 -1.0 2.0
   38    33    47    54   0.29450  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.95700  1.0 1.0
   41    43    46    47  -0.18200 -1.0 2.0
   41    43    46    47   0.29450  1.0 3.0
   41    43    46    49  -0.95700  1.0 1.0
   41    43    46    49  -0.18200 -1.0 2.0
   41    43    46    49   0.29450  1.0 3.0
   41    43    46    52  -0.09450  1.0 1.0
   41    43    46    52  -1.12950 -1.0 2.0
   41    43    46    52   0.54000  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -47    33   0.56750  1.0 1.0
   43    46   -47    33  -0.07550 -1.0 2.0
   43    46   -47    33   0.20000  1.0 3.0
   43    46    47    48   0.15000  1.0 3.0
   43    46    47    54  -0.95700  1.0 1.0
   43    46    47    54  -0.18200 -1.0 2.0
   43    46    47    54   0.29450  1.0 3.0
   43    46    49    50   0.15000  1.0 3.0
   43    46    49    51   0.15000  1.0 3.0
   43    46    49    56  -0.95700  1.0 1.0
   43    46    49    56  -0.18200 -1.0 2.0
   43    46    49    56   0.29450  1.0 3.0
   43    46    52    53  -0.11600  1.0 1.0
   43    46    52    53  -0.09450 -1.0 2.0
   43    46    52    53   0.21250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   44    43    46    52   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   45    43    46    52   0.23400  1.0 3.0
   46    47    54    55   0.30150 -1.0 2.0
   46    47    54    58   0.60050  1.0 1.0
   46    47    54    58   0.05600 -1.0 2.0
   46    47    54    58   0.26150  1.0 3.0
   46    49    56    57   0.30150 -1.0 2.0
   46    49    56    61   0.60050  1.0 1.0
   46    49    56    61   0.05600 -1.0 2.0
   46    49    56    61   0.26150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    56  -0.95700  1.0 1.0
   47    46    49    56  -0.18200 -1.0 2.0
   47    46    49    56   0.29450  1.0 3.0
   47    46    52    53  -0.11600  1.0 1.0
   47    46    52    53  -0.09450 -1.0 2.0
   47    46    52    53   0.21250  1.0 3.0
   47    54    58    59   0.00000  1.0 1.0
   47    54    58    60   0.00000  1.0 1.0
   47    54    58    64   0.65300  1.0 1.0
   47    54    58    64  -0.03850 -1.0 2.0
   47    54    58    64   0.33900  1.0 3.0
   48    47    54    55   0.00000  1.0 1.0
   48    47    54    58   0.00000  1.0 1.0
   54    58    64    65   0.30150 -1.0 2.0
   54    58    64    68   0.65300  1.0 1.0
   54    58    64    68  -0.03850 -1.0 2.0
   54    58    64    68   0.33900  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    60   0.00000  1.0 1.0
   55    54    58    64   0.30150 -1.0 2.0
   58    64    68    69   0.00000  1.0 1.0
   58    64    68    70   0.00000  1.0 1.0
   58    64    68    71   0.00000  1.0 1.0
   59    58    64    65   0.00000  1.0 1.0
   59    58    64    68   0.00000  1.0 1.0
   60    58    64    65   0.00000  1.0 1.0
   60    58    64    68   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  1.0 1.0
   49    46    47    33   0.56750  1.0 1.0
   49    46    47    33  -0.07550 -1.0 2.0
   49    46    47    33   0.20000  1.0 3.0
   49    46    47    48   0.15000  1.0 3.0
   49    46    47    54  -0.95700  1.0 1.0
   49    46    47    54  -0.18200 -1.0 2.0
   49    46    47    54   0.29450  1.0 3.0
   49    46    52    53  -0.11600  1.0 1.0
   49    46    52    53  -0.09450 -1.0 2.0
   49    46    52    53   0.21250  1.0 3.0
   49    56    61    62   0.00000  1.0 1.0
   49    56    61    63   0.00000  1.0 1.0
   49    56    61    66   0.65300  1.0 1.0
   49    56    61    66  -0.03850 -1.0 2.0
   49    56    61    66   0.33900  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    61   0.00000  1.0 1.0
   51    49    56    57   0.00000  1.0 1.0
   51    49    56    61   0.00000  1.0 1.0
   56    61    66    67   0.09700  1.0 1.0
   56    61    66    67   0.15600 -1.0 2.0
   56    61    66    67  -0.50800  1.0 3.0
   56    61    66    72  -0.51250  1.0 1.0
   56    61    66    72  -0.88800 -1.0 2.0
   56    61    66    72   0.08850  1.0 3.0
   57    56    61    62   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    66   0.30150 -1.0 2.0
   61    66    72    73   7.00000 -1.0 2.0
   61    66    72    74   7.00000 -1.0 2.0
   62    61    66    67   0.00000  1.0 1.0
   62    61    66    72   0.00000  1.0 1.0
   63    61    66    67   0.00000  1.0 1.0
   63    61    66    72   0.00000  1.0 1.0
   66    72    74    75   1.00000 -1.0 2.0
   66    72    74    76   0.50400  1.0 1.0
   66    72    74    76   1.60000 -1.0 2.0
   66    72    74    76  -0.01800  1.0 3.0
   67    66    72    73   7.00000 -1.0 2.0
   67    66    72    74   7.00000 -1.0 2.0
   72    74    76    77  -0.11550  1.0 1.0
   72    74    76    77   1.88700 -1.0 2.0
   73    72    74    75   0.00000  1.0 1.0
   73    72    74    76   0.92800 -1.0 2.0
   74    76    77    78   0.24000  1.0 3.0
   74    76    77    79   0.24000  1.0 3.0
   74    76    77    80   0.24000  1.0 3.0
   75    74    76    77  -0.11550  1.0 1.0
   75    74    76    77   1.88700 -1.0 2.0
   52    46    47    33   0.86500  1.0 1.0
   52    46    47    33  -0.17500 -1.0 2.0
   52    46    47    33   0.20800  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    54  -0.09450  1.0 1.0
   52    46    47    54  -1.12950 -1.0 2.0
   52    46    47    54   0.54000  1.0 3.0
   52    46    49    50   0.23400  1.0 3.0
   52    46    49    51   0.23400  1.0 3.0
   52    46    49    56  -0.09450  1.0 1.0
   52    46    49    56  -1.12950 -1.0 2.0
   52    46    49    56   0.54000  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
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   47    58    54    55  10.50000 -1.0 2.0
   58    68    64    65  10.50000 -1.0 2.0
   49    61    56    57  10.50000 -1.0 2.0
   61    67    66    72  15.00000 -1.0 2.0
   74    73    72    66  15.00000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
END
