* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    154    241     453
    1     0 S   NP   _N1_     1    28.77723    96.21575   -24.41471
    2     1 S   H    _HN1     2     1.02794   113.29173   -84.83609
    3     1 S   H    _H1_     3     1.02948    68.59609    16.68390
    4     1 S   H    _H2_     4     1.02827    39.22688  -174.90469
    5     1 S   CT   _CA1     5     1.50130   131.92633   115.41594
    6     5 S   HC   _HA1     6     1.09574   105.16258    98.60446
    7     5 S   CO3  _C1_     7     1.53766   112.42327   -21.59283
    8     7 S   O2Z  _O11     8     1.26376   115.00424   -43.39994
    9     7 S   O2Z  _O12     9     1.26234   114.94031   135.57117
   10     5 S   CT   _CB1    10     1.53057   107.39994  -143.45702
   11    10 S   HC   HB11    11     1.09841   109.31986   -49.54013
   12    10 S   HC   HB12    12     1.09810   110.48602    67.04855
   13    10 S   CT   _CG1    13     1.53020   112.63913  -170.47936
   14    13 S   HC   HG11    14     1.09571   110.71562   -67.22240
   15    13 S   HC   HG12    15     1.09670   109.71281    52.02583
   16    13 S   C    _CD1    16     1.51816   111.99876   172.48462
   17    16 S   O    _OE1    17     1.22759   123.17714    11.61571
   18    16 S   N    _N2_    18     1.38630   111.83131  -168.34977
   19    18 S   H    _HN2    19     1.01575   119.04036     0.83509
   20    18 S   CT1  _CA2    20     1.46240   123.41211   176.76142
   21    20 S   HC   _HA2    21     1.09741   109.26254     7.97988
   22    20 S   C    _C2_    22     1.53690   108.89575  -107.55038
   23    22 S   O    _O2_    23     1.23086   122.26262  -148.99785
   24    20 S   CT   _CB2    32     1.53405   111.62370   129.96856
   25    24 S   HC   HB21    33     1.09519   109.76916    57.34749
   26    24 S   HC   HB22    34     1.09414   109.64437   176.19759
   27    22 S   N    _N3_    24     1.38322   113.90066    38.52228
   28    27 S   H    _HN3    25     1.01537   119.63359    -3.18038
   29    24 S   S    _SG2    35     1.83134   111.20100   -64.30055
   30    27 S   CT   _CA3    26     1.45275   123.24930   177.22089
   31    30 S   HC   HA31    27     1.09547   107.50900   -64.93894
   32    30 S   HC   HA32    28     1.09557   107.99833    51.51292
   33    29 S   CT   _C19    36     1.88205   101.45451   171.76174
   34    33 S   OM   _O38    37     1.31432   106.59592   -71.44428
   35    30 S   CO3  _C3_    29     1.52966   114.06509   173.53004
   36    35 S   O2Z  _O31    30     1.26381   116.09933    -0.05595
   37    35 S   O2Z  _O32    31     1.26428   114.40915   180.00000
   38    33 S   CO4  _C20    38     1.53093   105.62910   169.99317
   39    38 S   O    _O37    39     1.22892   123.92421   115.80485
   40    38 S   CA   _C6_    40     1.50320   116.66062   -67.90066
   41    40 S   CA   _C7_    41     1.41882   117.92075   -24.06756
   42    41 S   CA   _C8_    42     1.39796   119.77623  -177.30245
   43    41 S   CO4  _C17    70     1.49332   120.26053     3.23719
   44    43 S   O    _O36    71     1.22880   120.44896   165.09710
   45    42 S   CA   _C9_    43     1.38157   118.35426     1.79907
   46    42 S   OH   _O35    68     1.36517   124.09599  -179.80119
   47    46 S   HO   _H17    69     0.97365   108.97831     4.51110
   48    33 S   CT   _C18    72     1.55591   114.70632    52.96872
   49    48 S   HC   _H4_    73     1.09983   109.26550   -62.18216
   50    45 S   CA   _C10    44     1.39649   123.03138    -2.80937
   51    48 S   CT   _C21    74     1.57714   118.58464   174.79956
   52    51 S   HC   _H18    75     1.09751   109.51731   -63.51133
   53    40 S   CA   _C5_    45     1.42434   121.02668   155.77055
   54    50 S   CT   _C11    50     1.51545   107.73075  -177.96462
   55    51 S   CT   _C22    76     1.53271   114.66485    57.17841
   56    55 S   HC   _H19    77     1.09499   111.37391    50.62990
   57    55 S   HC   _H20    78     1.09327   111.57671   -71.65415
   58    55 S   HC   _H21    79     1.09611   110.95973   170.47977
   59    51 S   CT   _C23    80     1.54100   110.90860   179.05519
   60    59 S   HC   _H22    81     1.09525   111.12264   -57.21102
   61    59 S   HC   _H23    82     1.09573   110.93940  -177.29651
   62    59 S   HC   _H24    83     1.09396   111.72978    63.97307
   63    53 S   CT   _C4_    46     1.50322   121.57903    -7.25799
   64    63 S   HC   _H5_    47     1.09377   110.50989    88.47076
   65    63 S   HC   _H6_    48     1.09149   111.76412  -149.67258
   66    63 S   HC   _H7_    49     1.09461   111.50906   -33.85687
   67    54 S   CO   _C12    51     1.55975    97.78592   -17.82396
   68    67 S   HC   _H3_    52     1.09659   111.16316   148.62584
   69    54 S   CT   _C13    56     1.54380   108.68500    95.86684
   70    69 S   HC   _H9_    57     1.09511   111.40050  -168.48390
   71    69 S   HC   _H10    58     1.09473   111.61097    71.27842
   72    69 S   HC   _H11    59     1.09684   112.01076   -48.72460
   73    54 S   CT   _C14    60     1.54957   115.31690  -137.50493
   74    73 S   HC   _H12    61     1.09845   109.82509    45.21533
   75    73 S   HC   _H13    62     1.09452   110.42579   -70.39701
   76    45 S   OS   _O33    53     1.37569   123.06181   178.83568
   77    67 S   OH   _O34    54     1.42785   112.06231   -90.70250
   78    77 S   HO   _H8_    55     0.97189   106.70475  -159.51731
   79    73 S   CM   _C15    63     1.50660   114.72801   169.95723
   80    79 S   HC   _H14    64     1.08674   117.58369    62.98742
   81    79 S   CM   _C16    65     1.33807   124.05593  -118.81679
   82    81 S   HC   _H15    66     1.08465   120.53298  -179.10693
   83    81 S   HC   _H16    67     1.08463   121.53422     1.00210
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  14   7   2   1   1  11   4  14  13  11  10   3  12   3   1  11
   4  18   9   8   9  16   7   3   2   1   3   2   1   1   3   2
   1   1  12   5   9   3   2   1   9   4   3   2   1   1   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    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    48    49    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    53    43    44    48    49    51    52    55    59  
   38    39    40    43    48    49    51  
   36    37  
   37  
    0  
   39    40    41    42    50    53    63    43    48    49    51  
   40    41    53    48  
   41    42    45    50    53    63    64    65    66    54    46    43    44    48  
   42    45    50    53    63    76    46    47    43    44    48    49    51  
   45    50    53    54    67    76    46    47    43    44    48  
   44    48    49    51    52    55    59    45    46    53  
   48    49    51  
   50    53    63    54    67    68    76    77    69    73    46    47  
   47    50    76  
    0  
   49    51    52    55    56    57    58    59    60    61    62  
   51    52    55    59  
   53    63    64    65    66    54    67    68    76    77    69    70    71    72    73    74    75    79  
   52    55    56    57    58    59    60    61    62  
   55    56    57    58    59    60    61    62  
   63    64    65    66    54    67    76    69    73  
   67    68    76    77    78    69    70    71    72    73    74    75    79    80    81    63  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    76    77    78    69    70    71    72    73    74    75    79  
   76    77    78    69    73  
   70    71    72    73    74    75    79    76    77  
   71    72    73  
   72    73  
   73  
   74    75    79    80    81    82    83    76    77  
   75    79    80    81  
   79    80    81  
   77    78  
   78  
    0  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0300   0.115000   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   317.000  1.522
   33    48   268.000  1.529
   38    39   570.000  1.229
   38    40   310.000  1.470
   40    41   469.000  1.400
   40    53   469.000  1.400
   41    42   469.000  1.400
   41    43   310.000  1.470
   42    45   469.000  1.400
   42    46   450.000  1.364
   45    50   469.000  1.400
   45    76   450.000  1.364
   50    53   469.000  1.400
   50    54   317.000  1.510
   53    63   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   54    67   250.000  1.527
   54    69   268.000  1.529
   54    73   268.000  1.529
   67    68   340.000  1.090
   67    76   320.000  1.380
   67    77   380.000  1.407
   77    78   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   317.000  1.510
   79    80   340.000  1.080
   79    81   549.000  1.340
   81    82   340.000  1.080
   81    83   340.000  1.080
   46    47   553.000  0.945
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    55   268.000  1.529
   51    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    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  110.18000
   29    33    48    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  115.47100
   33    48    43    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    51    58.35000  112.70000
   38    33    34    90.00000  108.74100
   38    40    41    60.00000  119.52600
   38    40    53    60.00000  119.52600
   40    38    39    75.00000  123.78400
   40    41    42    63.00000  120.00000
   40    41    43    60.00000  119.52600
   40    53    50    63.00000  120.00000
   40    53    63    70.00000  120.00000
   41    42    45    63.00000  120.00000
   41    42    46    70.00000  120.00000
   41    43    44    75.00000  123.78400
   41    43    48    65.00000  115.47100
   42    45    50    63.00000  120.00000
   42    45    76    70.00000  120.00000
   42    46    47    35.00000  113.00000
   45    50    53    63.00000  120.00000
   45    50    54    70.00000  120.00000
   45    76    67   100.00000  112.36700
   50    53    63    70.00000  120.00000
   50    54    67    70.00000  112.17500
   50    54    69    70.00000  112.17500
   50    54    73    70.00000  112.17500
   53    40    41    63.00000  120.00000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   54    50    53    70.00000  120.00000
   54    67    68    45.00000  112.01100
   54    67    76    90.00000  108.56700
   54    67    77    90.00000  110.19100
   54    69    70    37.50000  110.70000
   54    69    71    37.50000  110.70000
   54    69    72    37.50000  110.70000
   54    73    74    37.50000  110.70000
   54    73    75    37.50000  110.70000
   54    73    79    70.00000  112.02700
   67    77    78    70.00000  107.92000
   76    45    50    70.00000  120.00000
   76    67    68    35.00000  109.50000
   77    67    68    60.00000  108.02500
   77    67    76   110.00000  112.08000
   69    54    67    75.00000  109.43000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    54    67    75.00000  109.43000
   73    54    69    58.35000  112.70000
   73    79    80    35.00000  117.00000
   73    79    81    70.00000  124.00000
   75    73    74    33.00000  107.80000
   79    73    74    35.00000  109.50000
   79    73    75    35.00000  109.50000
   79    81    82    35.00000  120.00000
   79    81    83    35.00000  120.00000
   81    79    80    35.00000  120.00000
   83    81    82    35.00000  117.00000
   46    42    45    70.00000  120.00000
   43    41    42    60.00000  119.52600
   43    48    49    35.00000  109.50000
   43    48    51    63.00000  111.10000
   48    33    34    50.00000  109.50000
   48    33    38    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    55    58.35000  112.70000
   48    51    59    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   55    51    52    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    55    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    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    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    48    43   0.56750  1.0 1.0
   29    33    48    43  -0.07550 -1.0 2.0
   29    33    48    43   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    51   0.44750  1.0 1.0
   29    33    48    51  -0.17800 -1.0 2.0
   29    33    48    51   0.20200  1.0 3.0
   33    38    40    41   2.26350  1.0 1.0
   33    38    40    41   0.76750 -1.0 2.0
   33    38    40    41   0.22500  1.0 3.0
   33    38    40    53   2.26350  1.0 1.0
   33    38    40    53   0.76750 -1.0 2.0
   33    38    40    53   0.22500  1.0 3.0
   33    48    51    52   0.15000  1.0 3.0
   33    48    51    55   0.56750  1.0 1.0
   33    48    51    55  -0.07550 -1.0 2.0
   33    48    51    55   0.20000  1.0 3.0
   33    48    51    59   0.56750  1.0 1.0
   33    48    51    59  -0.07550 -1.0 2.0
   33    48    51    59   0.20000  1.0 3.0
   34    33    38    39   0.30150 -1.0 2.0
   34    33    38    40   0.65300  1.0 1.0
   34    33    38    40  -0.03850 -1.0 2.0
   34    33    38    40   0.33900  1.0 3.0
   34    33    48    43  -0.09450  1.0 1.0
   34    33    48    43  -1.12950 -1.0 2.0
   34    33    48    43   0.54000  1.0 3.0
   34    33    48    49   0.23400  1.0 3.0
   34    33    48    51   0.62750  1.0 1.0
   34    33    48    51  -0.30950 -1.0 2.0
   34    33    48    51   0.27300  1.0 3.0
   38    33    48    43   0.11950  1.0 1.0
   38    33    48    43   0.20300 -1.0 2.0
   38    33    48    43  -0.70800  1.0 3.0
   38    33    48    49  -0.11250  1.0 3.0
   38    33    48    51  -0.95700  1.0 1.0
   38    33    48    51  -0.18200 -1.0 2.0
   38    33    48    51   0.29450  1.0 3.0
   38    40    41    42   3.62500 -1.0 2.0
   38    40   -41    43   3.62500 -1.0 2.0
   38    40    53    50   3.62500 -1.0 2.0
   38    40    53    63   3.62500 -1.0 2.0
   39    38    40    41   1.05000 -1.0 2.0
   39    38    40    53   1.05000 -1.0 2.0
   40    41    42    45   3.62500 -1.0 2.0
   40    41    42    46   3.62500 -1.0 2.0
   40    41    43    44   1.05000 -1.0 2.0
   40    41    43    48   2.26350  1.0 1.0
   40    41    43    48   0.76750 -1.0 2.0
   40    41    43    48   0.22500  1.0 3.0
   40    53    63    64   0.00000  1.0 1.0
   40    53    63    65   0.00000  1.0 1.0
   40    53    63    66   0.00000  1.0 1.0
   41    40    53    50   3.62500 -1.0 2.0
   41    40    53    63   3.62500 -1.0 2.0
   41    42   -45    50   3.62500 -1.0 2.0
   41    42    45    76   3.62500 -1.0 2.0
   41    42    46    47   0.84100 -1.0 2.0
   41    43   -48    33   0.05850 -1.0 2.0
   41    43   -48    33   0.17250  1.0 3.0
   41    43    48    49   0.00000  1.0 1.0
   41    43    48    51   0.05850 -1.0 2.0
   41    43    48    51   0.17250  1.0 3.0
   42    41    43    44   1.05000 -1.0 2.0
   42    41    43    48   2.26350  1.0 1.0
   42    41    43    48   0.76750 -1.0 2.0
   42    41    43    48   0.22500  1.0 3.0
   42    45    50    53   3.62500 -1.0 2.0
   42    45    50    54   3.62500 -1.0 2.0
   42    45    76    67   1.63200 -1.0 2.0
   45    42    46    47   0.84100 -1.0 2.0
   45    50   -53    40   3.62500 -1.0 2.0
   45    50    53    63   3.62500 -1.0 2.0
   45    50   -54    67   0.04150 -1.0 2.0
   45    50    54    69   0.04150 -1.0 2.0
   45    50    54    73   0.04150 -1.0 2.0
   50    45   -76    67   1.63200 -1.0 2.0
   50    53    63    64   0.00000  1.0 1.0
   50    53    63    65   0.00000  1.0 1.0
   50    53    63    66   0.00000  1.0 1.0
   50    54    67    68   0.43200  1.0 3.0
   50    54   -67    76  -0.64350  1.0 1.0
   50    54   -67    76  -0.04200 -1.0 2.0
   50    54   -67    76   0.19800  1.0 3.0
   50    54    67    77   1.13150  1.0 1.0
   50    54    67    77  -1.01400 -1.0 2.0
   50    54    69    70   0.43200  1.0 3.0
   50    54    69    71   0.43200  1.0 3.0
   50    54    69    72   0.43200  1.0 3.0
   50    54    73    74   0.43200  1.0 3.0
   50    54    73    75   0.43200  1.0 3.0
   50    54    73    79   0.21200  1.0 1.0
   50    54    73    79   0.16900 -1.0 2.0
   50    54    73    79  -1.15100  1.0 3.0
   53    40   -41    42   3.62500 -1.0 2.0
   53    40    41    43   3.62500 -1.0 2.0
   53    50    54    67   0.04150 -1.0 2.0
   53    50    54    69   0.04150 -1.0 2.0
   53    50    54    73   0.04150 -1.0 2.0
   54    50    53    40   3.62500 -1.0 2.0
   54    50    53    63   3.62500 -1.0 2.0
   54    67   -76    45  -0.32850  1.0 1.0
   54    67   -76    45  -0.35800 -1.0 2.0
   54    67   -76    45   0.33950  1.0 3.0
   54    67    77    78  -0.11600  1.0 1.0
   54    67    77    78  -0.09450 -1.0 2.0
   54    67    77    78   0.21250  1.0 3.0
   54    73    79    80   0.00000  1.0 1.0
   54    73    79    81   0.09850  1.0 1.0
   54    73    79    81   0.15250 -1.0 2.0
   54    73    79    81  -0.50650  1.0 3.0
   67    54    69    70   0.15000  1.0 3.0
   67    54    69    71   0.15000  1.0 3.0
   67    54    69    72   0.15000  1.0 3.0
   67    54    73    74   0.15000  1.0 3.0
   67    54    73    75   0.15000  1.0 3.0
   67    54    73    79   0.34400  1.0 1.0
   67    54    73    79   0.09450 -1.0 2.0
   67    54    73    79   0.11100  1.0 3.0
   68    67    76    45   0.08050  1.0 3.0
   68    67    77    78   0.19450  1.0 3.0
   76    45    50    53   3.62500 -1.0 2.0
   76    45   -50    54   3.62500 -1.0 2.0
   76    67    77    78  -0.50000  1.0 1.0
   76    67    77    78  -0.73950 -1.0 2.0
   76    67    77    78   0.17150  1.0 3.0
   77    67    76    45  -0.25600  1.0 1.0
   77    67    76    45  -0.40050 -1.0 2.0
   77    67    76    45   0.34700  1.0 3.0
   69    54    67    68   0.15000  1.0 3.0
   69    54    67    76   0.62750  1.0 1.0
   69    54    67    76  -0.30950 -1.0 2.0
   69    54    67    76   0.27300  1.0 3.0
   69    54    67    77   0.86500  1.0 1.0
   69    54    67    77  -0.17500 -1.0 2.0
   69    54    67    77   0.20800  1.0 3.0
   69    54    73    74   0.15000  1.0 3.0
   69    54    73    75   0.15000  1.0 3.0
   69    54    73    79   0.34400  1.0 1.0
   69    54    73    79   0.09450 -1.0 2.0
   69    54    73    79   0.11100  1.0 3.0
   73    54    67    68   0.15000  1.0 3.0
   73    54    67    76   0.62750  1.0 1.0
   73    54    67    76  -0.30950 -1.0 2.0
   73    54    67    76   0.27300  1.0 3.0
   73    54    67    77   0.86500  1.0 1.0
   73    54    67    77  -0.17500 -1.0 2.0
   73    54    67    77   0.20800  1.0 3.0
   73    54    69    70   0.15000  1.0 3.0
   73    54    69    71   0.15000  1.0 3.0
   73    54    69    72   0.15000  1.0 3.0
   73    79    81    82   7.00000 -1.0 2.0
   73    79    81    83   7.00000 -1.0 2.0
   74    73    79    80   0.33100  1.0 3.0
   74    73    79    81   0.00000  1.0 1.0
   75    73    79    80   0.33100  1.0 3.0
   75    73    79    81   0.00000  1.0 1.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    83   7.00000 -1.0 2.0
   46    42    45    50   3.62500 -1.0 2.0
   46    42    45    76   3.62500 -1.0 2.0
   43    41    42    45   3.62500 -1.0 2.0
   43    41    42    46   3.62500 -1.0 2.0
   43    48    51    52  -0.11250  1.0 3.0
   43    48    51    55  -0.95700  1.0 1.0
   43    48    51    55  -0.18200 -1.0 2.0
   43    48    51    55   0.29450  1.0 3.0
   43    48    51    59  -0.95700  1.0 1.0
   43    48    51    59  -0.18200 -1.0 2.0
   43    48    51    59   0.29450  1.0 3.0
   44    43    48    33   0.30150 -1.0 2.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    51   0.30150 -1.0 2.0
   48    33    38    39   0.30150 -1.0 2.0
   48    33   -38    40   0.05850 -1.0 2.0
   48    33   -38    40   0.17250  1.0 3.0
   48    51    55    56   0.15000  1.0 3.0
   48    51    55    57   0.15000  1.0 3.0
   48    51    55    58   0.15000  1.0 3.0
   48    51    59    60   0.15000  1.0 3.0
   48    51    59    61   0.15000  1.0 3.0
   48    51    59    62   0.15000  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    55   0.15000  1.0 3.0
   49    48    51    59   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   55    51    59    60   0.15000  1.0 3.0
   55    51    59    61   0.15000  1.0 3.0
   55    51    59    62   0.15000  1.0 3.0
   59    51    55    56   0.15000  1.0 3.0
   59    51    55    57   0.15000  1.0 3.0
   59    51    55    58   0.15000  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
   33    40    38    39  10.50000 -1.0 2.0
   41    53    40    38   4.00000 -1.0 2.0
   42    43    41    40   4.00000 -1.0 2.0
   45    46    42    41   4.00000 -1.0 2.0
   50    76    45    42   4.00000 -1.0 2.0
   53    54    50    45   4.00000 -1.0 2.0
   50    63    53    40   4.00000 -1.0 2.0
   73    80    79    81  15.00000 -1.0 2.0
   82    83    81    79  15.00000 -1.0 2.0
   41    48    43    44  10.50000 -1.0 2.0
END
