* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    150    242     449
    1     0 S   NP   _N1_     1    28.80177    94.10849   -24.12398
    2     1 S   H    _HN1     2     1.02967    84.76141    23.15524
    3     1 S   H    _H1_     3     1.02826    23.57982  -175.79025
    4     1 S   H    _H2_     4     1.02776   109.05894   -84.42776
    5     1 S   CT   _CA1     5     1.50149   127.72539   134.87201
    6     5 S   HC   _HA1     6     1.09582   105.19416    78.01929
    7     5 S   CO3  _C1_     7     1.53775   112.45028   -42.01895
    8     7 S   O2Z  _O11     8     1.26350   115.01736   -42.05664
    9     7 S   O2Z  _O12     9     1.26255   114.91765   137.03202
   10     5 S   CT   _CB1    10     1.53082   107.35441  -164.21517
   11    10 S   HC   HB11    11     1.09822   109.13382   -51.72883
   12    10 S   HC   HB12    12     1.09821   110.44709    64.72721
   13    10 S   CT   _CG1    13     1.53004   112.80688  -172.95970
   14    13 S   HC   HG11    14     1.09599   110.32405   -65.58707
   15    13 S   HC   HG12    15     1.09650   110.08270    53.63589
   16    13 S   C    _CD1    16     1.51814   112.30968   173.74831
   17    16 S   O    _OE1    17     1.22718   123.27205    -6.63143
   18    16 S   N    _N2_    18     1.38638   111.71433   174.22864
   19    18 S   H    _HN2    19     1.01579   119.04637     1.45145
   20    18 S   CT1  _CA2    20     1.46012   123.28977   179.70392
   21    20 S   HC   _HA2    21     1.09566   109.38267    -2.80072
   22    20 S   C    _C2_    22     1.53455   108.85712  -117.88224
   23    22 S   O    _O2_    23     1.23047   122.08677  -146.31628
   24    20 S   CT   _CB2    32     1.53301   111.63922   119.61677
   25    24 S   HC   HB21    33     1.09680   109.47059    60.25779
   26    24 S   HC   HB22    34     1.09437   110.90397   177.03337
   27    22 S   N    _N3_    24     1.38462   113.58706    41.38777
   28    27 S   H    _HN3    25     1.01494   119.04143    -0.77380
   29    24 S   S    _SG2    35     1.82981   114.88182   -59.22018
   30    27 S   CT   _CA3    26     1.45425   123.24847   174.48157
   31    30 S   HC   HA31    27     1.09534   109.06914    28.70634
   32    30 S   HC   HA32    28     1.09490   107.20827   145.70759
   33    29 S   CT   _C10    36     1.83243   101.20037   -65.77921
   34    33 S   HC   _H7_    37     1.09916   104.87831    62.05004
   35    30 S   CO3  _C3_    29     1.52933   113.05156   -94.61060
   36    35 S   O2Z  _O31    30     1.26403   115.37907   -45.94619
   37    35 S   O2Z  _O32    31     1.26346   115.00564   134.89272
   38    33 S   CT   _C9_    38     1.54332   117.32531   -56.66003
   39    38 S   HC   _H6_    39     1.09576   111.42579    84.16706
   40    33 S   CT   _C11    50     1.57376   112.56201  -178.66236
   41    40 S   OM   _O33    51     1.32546   108.39928  -107.57627
   42    40 S   HC   _H8_    52     1.09753   109.75602    23.44268
   43    38 S   CT   _C8_    40     1.53841   117.50953   -45.57843
   44    43 S   HC   _H15    41     1.09478   109.61650    65.63730
   45    43 S   HC   _H16    42     1.09738   107.84407   179.66721
   46    43 S   CT   _C7_    43     1.53828   115.27382   -59.78381
   47    46 S   HC   _H5_    44     1.09764   109.46002  -151.48510
   48    46 S   CT   _C6_    45     1.53618   113.93398   -30.84836
   49    48 S   HC   _H13    46     1.09675   108.71109   -89.78352
   50    48 S   HC   _H14    47     1.09739   109.95819   154.54527
   51    46 S   OS   _O34    59     1.44555   110.46808    90.43086
   52    48 S   CT   _C5_    48     1.53825   114.35919    31.73120
   53    52 S   HC   _H4_    49     1.09803   110.18187  -172.38235
   54    51 S   CO4  _C12    60     1.36610   117.68355    79.89028
   55    54 S   O    _O35    61     1.22438   125.38720    -1.13574
   56    38 S   NP   _N4_    53     1.51595    99.67923  -162.70975
   57    56 S   H    _H3_    54     1.03101   106.52787   -58.11993
   58    54 S   CT   _C13    62     1.52286   109.64239   177.34745
   59    58 S   HC   _H9_    63     1.09897   107.35138    24.49933
   60    56 S   CT   _C4_    55     1.49097   118.62142  -175.72749
   61    60 S   HC   _H10    56     1.09077   110.58525   -61.69568
   62    60 S   HC   _H11    57     1.09298   107.62300    58.98130
   63    60 S   HC   _H12    58     1.09297   107.67885   177.51415
   64    58 S   CA   _C15    64     1.51955   111.20772   142.35486
   65    58 S   CT   _C14    75     1.53311   109.16560   -92.56314
   66    65 S   HC   _H17    76     1.09551   112.01558   -45.17959
   67    65 S   HC   _H18    77     1.09558   110.99073  -166.87711
   68    64 S   CA   _C16    65     1.40379   119.58694  -103.82261
   69    68 S   HA   _H20    66     1.08726   120.48169    -0.95736
   70    65 S   OH   _O36    78     1.42433   109.45788    74.68990
   71    70 S   HO   _H19    79     0.97253   107.09945   178.87534
   72    68 S   CA   _C17    67     1.39622   120.77982   179.25192
   73    72 S   HA   _H21    68     1.08629   119.90838   179.87967
   74    72 S   CA   _C18    69     1.39256   120.07718    -0.14804
   75    74 S   HA   _H22    70     1.08607   120.07262  -179.94405
   76    74 S   CA   _C19    71     1.39278   119.86239    -0.09065
   77    76 S   HA   _H23    72     1.08634   119.96898  -179.68410
   78    64 S   CA   _C20    73     1.40384   121.95929    74.99775
   79    78 S   HA   _H24    74     1.08709   120.63839     0.17246
  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
  16   8   2   1   1  19   9  12   5   4  13   6   5  11   6   9
   5   4   7   7   3  10   4   5   4  13   7   3   2   1   1  13
   6   3   2   8   4   1   1   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    52    40    41    42    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    46    48    52    53    40    41    42    56    57    60  
   38    39    43    52    40    41    42    56  
   36    37  
   37  
    0  
   39    43    44    45    46    47    48    52    53    40    41    42    56    57    60    61    62    63    51  
   43    44    45    46    52    40    56    57    60  
   41    42    56    57    60    43    46    48    49    50    52    53  
   42    56    48    52    53  
   56    48    52    53  
   44    45    46    47    48    49    50    52    56    57    60    51    54  
   45    46    47    48    56    51  
   46    47    48    56    51  
   47    48    49    50    52    53    56    51    54    55    58  
   48    49    50    52    51    54  
   49    50    52    53    56    57    60    51    54  
   50    52    53    56    51  
   52    53    56    51  
   54    55    58    59    64    65    52  
   53    56    57    60    61    62    63  
   56    57    60  
   55    58    59    64    68    78    65    66    67    70  
   58    59    64    65  
   57    60    61    62    63  
   60    61    62    63  
   59    64    68    69    72    76    78    79    65    66    67    70    71  
   64    68    78    65    66    67    70  
   61    62    63  
   62    63  
   63  
    0  
   68    69    72    73    74    76    77    78    79    65    66    67    70  
   66    67    70    71    68    78  
   67    70    71  
   70    71  
   69    72    73    74    75    76    78    79  
   72    73    74    78  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   57   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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   340.000  1.090
   33    38   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    56   367.000  1.471
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    40   268.000  1.529
   52    56   367.000  1.471
   40    41   570.000  1.307
   40    42   340.000  1.090
   56    57   434.000  1.010
   56    60   367.000  1.471
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   51    54   214.000  1.327
   54    55   570.000  1.229
   54    58   317.000  1.522
   58    59   340.000  1.090
   58    64   317.000  1.510
   58    65   268.000  1.529
   64    68   469.000  1.400
   64    78   469.000  1.400
   68    69   367.000  1.080
   68    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   367.000  1.080
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   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    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    56    80.00000  111.20000
   33    40    52    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    58.35000  112.70000
   38    56    52    75.00000  113.01200
   38    56    57    35.00000  109.50000
   38    56    60    75.00000  113.01200
   43    38    39    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    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    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    40    58.35000  112.70000
   48    52    56    80.00000  111.20000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    40    41    50.00000  109.50000
   52    40    42    37.50000  110.70000
   52    56    57    35.00000  109.50000
   52    56    60    75.00000  113.01200
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   42    40    41    45.00000  125.66300
   56    38    39    35.00000  109.50000
   56    38    43    80.00000  111.20000
   56    52    53    35.00000  109.50000
   56    52    40    80.00000  111.20000
   56    60    61    35.00000  109.50000
   56    60    62    35.00000  109.50000
   56    60    63    35.00000  109.50000
   60    56    57    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    50.00000  109.50000
   51    54    55    83.00000  123.40000
   51    54    58    81.00000  111.40000
   54    58    59    35.00000  109.50000
   54    58    64    70.00000  110.93000
   54    58    65    63.00000  111.10000
   58    54    55    80.00000  120.40000
   58    64    68    70.00000  120.00000
   58    64    78    70.00000  120.00000
   58    65    66    37.50000  110.70000
   58    65    67    37.50000  110.70000
   58    65    70    50.00000  109.50000
   64    58    59    35.00000  109.50000
   64    68    69    35.00000  120.00000
   64    68    72    63.00000  120.00000
   64    78    76    63.00000  120.00000
   64    78    79    35.00000  120.00000
   68    72    73    35.00000  120.00000
   68    72    74    63.00000  120.00000
   72    68    69    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    78    79    35.00000  120.00000
   78    64    68    63.00000  120.00000
   78    76    77    35.00000  120.00000
   65    58    59    37.50000  110.70000
   65    58    64    70.00000  112.17500
   65    70    71    55.00000  108.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    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    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   0.32350  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    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
   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    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    38    56   0.56750  1.0 1.0
   29    33    38    56  -0.07550 -1.0 2.0
   29    33    38    56   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    46   0.56750  1.0 1.0
   33    38    43    46  -0.07550 -1.0 2.0
   33    38    43    46   0.20000  1.0 3.0
   33    38   -56    52   0.47100  1.0 1.0
   33    38    56    57   0.17350  1.0 3.0
   33    38    56    60   0.47100  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    56   0.19200  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    52   0.56750  1.0 1.0
   38    33   -40    52  -0.07550 -1.0 2.0
   38    33   -40    52   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.56750  1.0 1.0
   38    43    46    48  -0.07550 -1.0 2.0
   38    43    46    48   0.20000  1.0 3.0
   38    43    46    51   0.62750  1.0 1.0
   38    43    46    51  -0.30950 -1.0 2.0
   38    43    46    51   0.27300  1.0 3.0
   38    56    60    61   0.15000  1.0 3.0
   38    56    60    62   0.15000  1.0 3.0
   38    56    60    63   0.15000  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    46   0.15000  1.0 3.0
   39    38    56    52   0.15000  1.0 3.0
   39    38    56    57   0.13050  1.0 3.0
   39    38    56    60   0.15000  1.0 3.0
   43    38    56    52   0.47100  1.0 1.0
   43    38    56    57   0.17350  1.0 3.0
   43    38    56    60   0.47100  1.0 1.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46   -48    52   0.56750  1.0 1.0
   43    46   -48    52  -0.07550 -1.0 2.0
   43    46   -48    52   0.20000  1.0 3.0
   43    46    51    54  -0.25900  1.0 1.0
   43    46    51    54  -0.47000 -1.0 2.0
   43    46    51    54   0.11750  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    51   0.23400  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    51   0.23400  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    40   0.56750  1.0 1.0
   46    48    52    40  -0.07550 -1.0 2.0
   46    48    52    40   0.20000  1.0 3.0
   46    48    52    56   1.36600  1.0 1.0
   46    48    52    56  -0.11450 -1.0 2.0
   46    48    52    56   0.24250  1.0 3.0
   46    51    54    55   3.00000 -1.0 2.0
   46    51    54    58   1.63150  1.0 1.0
   46    51    54    58   2.92000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    54   0.08050  1.0 3.0
   48    46    51    54  -0.25900  1.0 1.0
   48    46    51    54  -0.47000 -1.0 2.0
   48    46    51    54   0.11750  1.0 3.0
   48    52    40    33   0.56750  1.0 1.0
   48    52    40    33  -0.07550 -1.0 2.0
   48    52    40    33   0.20000  1.0 3.0
   48    52    40    41   0.62750  1.0 1.0
   48    52    40    41  -0.30950 -1.0 2.0
   48    52    40    41   0.27300  1.0 3.0
   48    52    40    42   0.15000  1.0 3.0
   48    52   -56    38   0.47100  1.0 1.0
   48    52    56    57   0.17350  1.0 3.0
   48    52    56    60   0.47100  1.0 1.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    40   0.15000  1.0 3.0
   49    48    52    56   0.19200  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    40   0.15000  1.0 3.0
   50    48    52    56   0.19200  1.0 3.0
   52    56    60    61   0.15000  1.0 3.0
   52    56    60    62   0.15000  1.0 3.0
   52    56    60    63   0.15000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    41   0.23400  1.0 3.0
   53    52    40    42   0.15000  1.0 3.0
   53    52    56    38   0.15000  1.0 3.0
   53    52    56    57   0.13050  1.0 3.0
   53    52    56    60   0.15000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33   -38    56   1.36600  1.0 1.0
   40    33   -38    56  -0.11450 -1.0 2.0
   40    33   -38    56   0.24250  1.0 3.0
   40    52   -56    38   0.47100  1.0 1.0
   40    52    56    57   0.17350  1.0 3.0
   40    52    56    60   0.47100  1.0 1.0
   56    38    43    44   0.19200  1.0 3.0
   56    38    43    45   0.19200  1.0 3.0
   56    38   -43    46   1.36600  1.0 1.0
   56    38   -43    46  -0.11450 -1.0 2.0
   56    38   -43    46   0.24250  1.0 3.0
   56    52   -40    33   1.36600  1.0 1.0
   56    52   -40    33  -0.11450 -1.0 2.0
   56    52   -40    33   0.24250  1.0 3.0
   56    52    40    41   1.69300  1.0 1.0
   56    52    40    41  -0.48450 -1.0 2.0
   56    52    40    42   0.19200  1.0 3.0
   57    56    60    61   0.13050  1.0 3.0
   57    56    60    62   0.13050  1.0 3.0
   57    56    60    63   0.13050  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    50   0.23400  1.0 3.0
   51    46    48    52   0.62750  1.0 1.0
   51    46    48    52  -0.30950 -1.0 2.0
   51    46    48    52   0.27300  1.0 3.0
   51    54    58    59   0.00000  1.0 1.0
   51    54    58    64   0.40000  1.0 3.0
   51    54    58    65   0.36750  1.0 3.0
   54    58    64    68   0.04300 -1.0 2.0
   54    58    64    78   0.04300 -1.0 2.0
   54    58    65    66  -0.11250  1.0 3.0
   54    58    65    67  -0.11250  1.0 3.0
   54    58    65    70  -0.09450  1.0 1.0
   54    58    65    70  -1.12950 -1.0 2.0
   54    58    65    70   0.54000  1.0 3.0
   55    54    58    59   0.00000  1.0 1.0
   55    54    58    64   0.30150 -1.0 2.0
   55    54    58    65   0.30150 -1.0 2.0
   58    64    68    69   3.62500 -1.0 2.0
   58    64    68    72   3.62500 -1.0 2.0
   58    64    78    76   3.62500 -1.0 2.0
   58    64    78    79   3.62500 -1.0 2.0
   58    65    70    71  -0.11600  1.0 1.0
   58    65    70    71  -0.09450 -1.0 2.0
   58    65    70    71   0.21250  1.0 3.0
   59    58    64    68   0.00000  1.0 1.0
   59    58    64    78   0.00000  1.0 1.0
   59    58    65    66   0.15000  1.0 3.0
   59    58    65    67   0.15000  1.0 3.0
   59    58    65    70   0.23400  1.0 3.0
   64    58    65    66   0.43200  1.0 3.0
   64    58    65    67   0.43200  1.0 3.0
   64    58    65    70   1.13150  1.0 1.0
   64    58    65    70  -1.01400 -1.0 2.0
   64    68    72    73   3.62500 -1.0 2.0
   64    68    72    74   3.62500 -1.0 2.0
   68    64    78    76   3.62500 -1.0 2.0
   68    64    78    79   3.62500 -1.0 2.0
   68    72    74    75   3.62500 -1.0 2.0
   68    72   -74    76   3.62500 -1.0 2.0
   69    68    72    73   3.62500 -1.0 2.0
   69    68    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -78    64   3.62500 -1.0 2.0
   74    76    78    79   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   77    76    78    64   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    64    68    69   3.62500 -1.0 2.0
   78    64   -68    72   3.62500 -1.0 2.0
   65    58    64    68   0.04150 -1.0 2.0
   65    58    64    78   0.04150 -1.0 2.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71   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
   36    30    35    37  10.50000 -1.0 2.0
   51    58    54    55  10.50000 -1.0 2.0
   68    78    64    58   4.00000 -1.0 2.0
   72    69    68    64   1.10000 -1.0 2.0
   74    73    72    68   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   78    77    76    74   1.10000 -1.0 2.0
   76    79    78    64   1.10000 -1.0 2.0
END
