* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    142    235     424
    1     0 S   NP   _N1_     1    28.26255    97.32981   -23.96495
    2     1 S   H    _HN1     2     1.02776   111.37478   -99.98207
    3     1 S   H    _H1_     3     1.02958    69.44880     2.38958
    4     1 S   H    _H2_     4     1.02835    38.74389   167.74835
    5     1 S   CT   _CA1     5     1.50142   133.45800   101.41995
    6     5 S   HC   _HA1     6     1.09576   105.20460    96.96674
    7     5 S   CO3  _C1_     7     1.53781   112.36273   -23.20591
    8     7 S   O2Z  _O11     8     1.26368   114.98781   -43.47629
    9     7 S   O2Z  _O12     9     1.26234   114.93059   135.57009
   10     5 S   CT   _CB1    10     1.53092   107.41319  -145.12653
   11    10 S   HC   HB11    11     1.09829   109.31197   -50.38366
   12    10 S   HC   HB12    12     1.09816   110.43084    66.16438
   13    10 S   CT   _CG1    13     1.53025   112.69392  -171.45022
   14    13 S   HC   HG11    14     1.09592   110.50710   -64.90837
   15    13 S   HC   HG12    15     1.09658   109.90407    54.30275
   16    13 S   C    _CD1    16     1.51848   112.28976   174.65951
   17    16 S   O    _OE1    17     1.22757   123.28501     1.37059
   18    16 S   N    _N2_    18     1.38572   111.74684  -178.63484
   19    18 S   H    _HN2    19     1.01561   119.01340     4.23526
   20    18 S   CT1  _CA2    20     1.45795   122.82604   177.74241
   21    20 S   HC   _HA2    21     1.09749   108.89372    24.22752
   22    20 S   C    _C2_    22     1.52968   107.30220   -92.61928
   23    22 S   O    _O2_    23     1.22950   123.13515   -24.89122
   24    20 S   CT   _CB2    32     1.53288   112.25519   147.35676
   25    24 S   HC   HB21    33     1.09518   110.07562    52.83304
   26    24 S   HC   HB22    34     1.09370   109.59757   171.75926
   27    22 S   N    _N3_    24     1.38522   112.41575   157.83456
   28    27 S   H    _HN3    25     1.01657   120.30094    -2.30690
   29    24 S   S    _SG2    35     1.82628   110.81667   -68.01974
   30    27 S   CT   _CA3    26     1.45349   122.65116   178.33787
   31    30 S   HC   HA31    27     1.09564   107.96203   -52.96105
   32    30 S   HC   HA32    28     1.09557   107.50594    63.43648
   33    29 S   CT   _C18    36     1.84045   101.30601  -177.04183
   34    30 S   CO3  _C3_    29     1.52929   114.19367  -174.88492
   35    34 S   O2Z  _O31    30     1.26360   116.02563     1.68598
   36    34 S   O2Z  _O32    31     1.26425   114.43241  -178.38178
   37    33 S   CM   _C19    37     1.51170   110.53025  -178.53126
   38    33 S   CO4  _C17    70     1.52276   108.59510    61.74176
   39    38 S   O    _O33    71     1.23240   121.48191  -101.88452
   40    33 S   OH   _O38    77     1.42460   111.81073   -57.22557
   41    40 S   HO   _H14    78     0.97142   107.52916    69.36366
   42    37 S   CMA  _C20    38     1.36618   127.33523  -107.40933
   43    42 S   OM   _O36    39     1.27241   128.06044  -179.87805
   44    37 S   C    _C23    72     1.50874   114.44213    75.21200
   45    44 S   O    _O37    73     1.22672   122.47695   -60.46534
   46    42 S   CT   _C21    40     1.59057   118.57339    -1.86425
   47    46 S   OM   _O35    41     1.32869   112.20410   142.00250
   48    44 S   N    _N4_    74     1.37480   113.81053   116.49965
   49    48 S   H    _H12    75     1.01501   121.54303     4.83424
   50    48 S   H    _H13    76     1.01247   120.74055  -179.21640
   51    46 S   CO4  _C22    42     1.54758   109.86811   -98.83681
   52    51 S   O    _O34    43     1.23213   122.43898   -17.35774
   53    51 S   CA   _C13    44     1.50703   119.73800   162.05318
   54    53 S   CA   _C14    45     1.40291   120.13616   -14.38152
   55    53 S   CA   _C12    56     1.41198   120.43152   166.26811
   56    54 S   CA   _C5_    46     1.42269   119.36645   178.47659
   57    55 S   OH   _O39    57     1.37776   120.56493    -1.84737
   58    57 S   HO   _H15    58     0.97286   109.58226     1.72680
   59    54 S   CT   _C15    65     1.51302   120.88977     0.09891
   60    59 S   HC   _H10    66     1.09823   107.50519   107.57652
   61    59 S   HC   _H11    67     1.09736   109.45866  -136.34017
   62    56 S   CA   _C6_    47     1.43076   120.84963     4.54019
   63    56 S   CT   _C4_    61     1.51871   120.01690  -176.93906
   64    63 S   HC   _H4_    62     1.09450   109.92278  -103.08580
   65    63 S   HC   _H5_    63     1.09231   113.42943    18.31963
   66    63 S   HC   _H6_    64     1.09515   110.72973   135.42730
   67    46 S   CT   _C16    68     1.54069   112.18987    20.91862
   68    67 S   HC   _H3_    69     1.10108   110.81470    66.88034
   69    62 S   CA   _C7_    48     1.41882   122.05403   175.95916
   70    69 S   HA   _H7_    49     1.08786   120.98736    -1.23480
   71    69 S   CA   _C8_    50     1.39337   122.73330   179.32103
   72    71 S   HA   _H8_    51     1.08595   120.10224  -179.95154
   73    71 S   CA   _C9_    52     1.38077   119.55634     0.14804
   74    73 S   HA   _H9_    53     1.08596   119.45893  -179.96574
   75    73 S   CA   _C10    54     1.39575   119.30704     0.36369
   76    62 S   CA   _C11    55     1.41886   119.87544    -3.88726
   77    75 S   OH   _O40    59     1.37462   117.24770   179.51786
   78    77 S   HO   _H16    60     0.97149   109.41021     0.33920
  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   2   1   1  15  14   5   4   1  12   5   5   3  11   6   2
   1   1  10   4  13  15  10  14   4   1   6   3   2  12   5   2
   1   1   1   1   7   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    67    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    59    67    68    38    39    44    45    48    40    41  
   35    36  
   36  
    0  
   42    43    46    47    51    67    38    39    44    45    48    49    50    40    41  
   39    44    40    41    42    46    47    51    54    59    60    61    67    68  
   40    46    59    67    68  
   41    42    44    67  
    0  
   43    46    47    51    52    53    59    67    68    44    45    48  
   46    47    51    67    44  
   45    48    49    50    46  
   48    49    50  
   47    51    52    53    54    55    59    60    61    67    68  
   51    52    53    59    67    68  
   49    50  
   50  
    0  
   52    53    54    56    76    55    57    59    67    68  
   53    54    55    67  
   54    56    62    75    76    55    57    58    63    59    60    61    67  
   56    62    69    76    55    57    63    64    65    66    59    60    61    67    68  
   57    58    77    59    56    62    69    73    75    76  
   62    69    70    71    75    76    63    64    65    66    59    60    61    67  
   58    62    75    76  
   76  
   60    61    67    68    62    63  
   61    67    68  
   67    68  
   69    70    71    72    73    75    76    77    63    64    65    66  
   64    65    66    69    76  
   65    66  
   66  
    0  
   68  
    0  
   70    71    72    73    74    75    76  
   71    72    73    76  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77    78  
   75    76    77  
   76    77    78  
   77    78  
   78  
    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   0.432500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.657900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   49   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   50   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   51   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   58   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   59   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    38   317.000  1.522
   33    40   320.000  1.410
   37    42   465.000  1.376
   37    44   410.000  1.444
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    47   570.000  1.307
   46    51   317.000  1.522
   46    67   268.000  1.529
   51    52   570.000  1.229
   51    53   310.000  1.470
   53    54   469.000  1.400
   53    55   469.000  1.400
   54    56   469.000  1.400
   54    59   317.000  1.510
   56    62   469.000  1.400
   56    63   317.000  1.510
   62    69   469.000  1.400
   62    76   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    55   469.000  1.400
   55    57   450.000  1.364
   57    58   553.000  0.945
   77    78   553.000  0.945
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    67   268.000  1.529
   67    68   340.000  1.090
   67    38   317.000  1.522
   38    39   570.000  1.229
   44    45   570.000  1.229
   44    48   490.000  1.335
   48    49   434.000  1.010
   48    50   434.000  1.010
   40    41   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    38    75.00000  110.18000
   29    33    40    85.00000  114.68000
   33    37    42    70.00000  124.00000
   33    37    44    70.00000  119.70000
   33    38    67    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    80.00000  125.30000
   37    44    48    80.00000  111.56200
   42    46    47    85.00000  110.90400
   42    46    51    70.00000  109.06800
   42    46    67    70.00000  112.02700
   46    42    43    85.00000  112.85300
   46    51    52    80.00000  120.40000
   46    51    53    65.00000  115.47100
   46    67    59    58.35000  112.70000
   46    67    68    37.50000  110.70000
   46    67    38    63.00000  111.10000
   51    46    47    90.00000  108.74100
   51    53    54    60.00000  119.52600
   51    53    55    60.00000  119.52600
   53    51    52    75.00000  123.78400
   53    54    56    63.00000  120.00000
   53    54    59    70.00000  120.00000
   53    55    76    63.00000  120.00000
   53    55    57    70.00000  120.00000
   54    56    62    63.00000  120.00000
   54    56    63    70.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    67    70.00000  112.17500
   56    62    69    63.00000  120.00000
   56    62    76    63.00000  120.00000
   56    63    64    35.00000  109.50000
   56    63    65    35.00000  109.50000
   56    63    66    35.00000  109.50000
   62    69    70    35.00000  120.00000
   62    69    71    63.00000  120.00000
   62    76    75    63.00000  120.00000
   62    76    55    63.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    35.00000  120.00000
   71    73    75    63.00000  120.00000
   73    71    72    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    55    63.00000  120.00000
   75    77    78    35.00000  113.00000
   76    62    69    63.00000  120.00000
   76    55    57    70.00000  120.00000
   55    53    54    63.00000  120.00000
   55    57    58    35.00000  113.00000
   77    75    76    70.00000  120.00000
   63    56    62    70.00000  120.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   59    54    56    70.00000  120.00000
   59    67    68    37.50000  110.70000
   59    67    38    63.00000  111.10000
   61    59    60    33.00000  107.80000
   67    46    47    50.00000  109.50000
   67    46    51    63.00000  111.10000
   67    59    60    37.50000  110.70000
   67    59    61    37.50000  110.70000
   67    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    67    68    35.00000  109.50000
   44    37    42    60.00000  120.04000
   44    48    49    35.00000  119.80000
   44    48    50    35.00000  119.80000
   48    44    45    80.00000  122.90000
   50    48    49    35.00000  120.00000
   40    33    37    90.00000  110.39200
   40    33    38    90.00000  109.61100
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    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   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    67   0.65300  1.0 1.0
   29    33    38    67  -0.03850 -1.0 2.0
   29    33    38    67   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    44    45  -0.64400  1.0 1.0
   33    37    44    45   0.26850 -1.0 2.0
   33    37    44    48   1.59650  1.0 1.0
   33    37    44    48   0.42750 -1.0 2.0
   33    37    44    48  -0.48350  1.0 3.0
   37    33    38    67   0.65300  1.0 1.0
   37    33    38    67  -0.03850 -1.0 2.0
   37    33    38    67   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    46    47   0.39000  1.0 1.0
   37    42    46    47  -0.05800 -1.0 2.0
   37    42    46    47  -0.55150  1.0 3.0
   37    42    46    51  -0.51250  1.0 1.0
   37    42    46    51  -0.88800 -1.0 2.0
   37    42    46    51   0.08850  1.0 3.0
   37    42   -46    67   0.09850  1.0 1.0
   37    42   -46    67   0.15250 -1.0 2.0
   37    42   -46    67  -0.50650  1.0 3.0
   37    44    48    49   2.56700 -1.0 2.0
   37    44    48    50   2.56700 -1.0 2.0
   42    37    44    45   1.00000 -1.0 2.0
   42    37    44    48   0.49500  1.0 1.0
   42    37    44    48   1.31600 -1.0 2.0
   42    37    44    48  -0.02300  1.0 3.0
   42    46    51    52   0.30150 -1.0 2.0
   42    46    51    53   0.65300  1.0 1.0
   42    46    51    53  -0.03850 -1.0 2.0
   42    46    51    53   0.33900  1.0 3.0
   42    46    67    59   0.34400  1.0 1.0
   42    46    67    59   0.09450 -1.0 2.0
   42    46    67    59   0.11100  1.0 3.0
   42    46    67    68   0.15000  1.0 3.0
   42    46    67    38  -0.98800  1.0 1.0
   42    46    67    38   0.48800 -1.0 2.0
   42    46    67    38   0.76800  1.0 3.0
   43    42    46    47   0.09700  1.0 1.0
   43    42    46    47   0.15600 -1.0 2.0
   43    42    46    47  -0.50800  1.0 3.0
   43    42    46    51   0.09700  1.0 1.0
   43    42    46    51   0.15600 -1.0 2.0
   43    42    46    51  -0.50800  1.0 3.0
   43    42    46    67   0.09700  1.0 1.0
   43    42    46    67   0.15600 -1.0 2.0
   43    42    46    67  -0.50800  1.0 3.0
   46    51    53    54   2.26350  1.0 1.0
   46    51    53    54   0.76750 -1.0 2.0
   46    51    53    54   0.22500  1.0 3.0
   46    51    53    55   2.26350  1.0 1.0
   46    51    53    55   0.76750 -1.0 2.0
   46    51    53    55   0.22500  1.0 3.0
   46    67   -38    33   0.60050  1.0 1.0
   46    67   -38    33   0.05600 -1.0 2.0
   46    67   -38    33   0.26150  1.0 3.0
   46    67    38    39   0.30150 -1.0 2.0
   47    46    51    52   0.30150 -1.0 2.0
   47    46    51    53   0.65300  1.0 1.0
   47    46    51    53  -0.03850 -1.0 2.0
   47    46    51    53   0.33900  1.0 3.0
   47    46    67    59   0.62750  1.0 1.0
   47    46    67    59  -0.30950 -1.0 2.0
   47    46    67    59   0.27300  1.0 3.0
   47    46    67    68   0.23400  1.0 3.0
   47    46    67    38  -0.09450  1.0 1.0
   47    46    67    38  -1.12950 -1.0 2.0
   47    46    67    38   0.54000  1.0 3.0
   51    46    67    59  -0.95700  1.0 1.0
   51    46    67    59  -0.18200 -1.0 2.0
   51    46    67    59   0.29450  1.0 3.0
   51    46    67    68  -0.11250  1.0 3.0
   51    46    67    38   0.11950  1.0 1.0
   51    46    67    38   0.20300 -1.0 2.0
   51    46    67    38  -0.70800  1.0 3.0
   51    53    54    56   3.62500 -1.0 2.0
   51    53   -54    59   3.62500 -1.0 2.0
   51    53    55    76   3.62500 -1.0 2.0
   51    53    55    57   3.62500 -1.0 2.0
   52    51    53    54   1.05000 -1.0 2.0
   52    51    53    55   1.05000 -1.0 2.0
   53    54    56    62   3.62500 -1.0 2.0
   53    54    56    63   3.62500 -1.0 2.0
   53    54    59    60   0.00000  1.0 1.0
   53    54    59    61   0.00000  1.0 1.0
   53    54    59    67   0.04150 -1.0 2.0
   53    55    57    58   0.84100 -1.0 2.0
   54    53    55    76   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   54    56    62    69   3.62500 -1.0 2.0
   54    56   -62    76   3.62500 -1.0 2.0
   54    56    63    64   0.00000  1.0 1.0
   54    56    63    65   0.00000  1.0 1.0
   54    56    63    66   0.00000  1.0 1.0
   54    59   -67    46  -0.03700  1.0 1.0
   54    59   -67    46   0.37200 -1.0 2.0
   54    59   -67    46  -0.47300  1.0 3.0
   54    59    67    68   0.43200  1.0 3.0
   54    59    67    38   0.56750  1.0 1.0
   54    59    67    38  -0.07550 -1.0 2.0
   54    59    67    38   0.20000  1.0 3.0
   56    54    59    60   0.00000  1.0 1.0
   56    54    59    61   0.00000  1.0 1.0
   56    54    59    67   0.04150 -1.0 2.0
   56    62    69    70   3.62500 -1.0 2.0
   56    62    69    71   3.62500 -1.0 2.0
   56    62    76    75   3.62500 -1.0 2.0
   56    62    76    55   3.62500 -1.0 2.0
   62    56    63    64   0.00000  1.0 1.0
   62    56    63    65   0.00000  1.0 1.0
   62    56    63    66   0.00000  1.0 1.0
   62    69    71    72   3.62500 -1.0 2.0
   62    69    71    73   3.62500 -1.0 2.0
   62    76   -55    53   3.62500 -1.0 2.0
   62    76    55    57   3.62500 -1.0 2.0
   69    62    76    75   3.62500 -1.0 2.0
   69    62    76    55   3.62500 -1.0 2.0
   69    71    73    74   3.62500 -1.0 2.0
   69    71   -73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    75    76   3.62500 -1.0 2.0
   71    73    75    77   3.62500 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -76    62   3.62500 -1.0 2.0
   73    75    76    55   3.62500 -1.0 2.0
   73    75    77    78   0.84100 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76    55    53   3.62500 -1.0 2.0
   75    76    55    57   3.62500 -1.0 2.0
   76    62    69    70   3.62500 -1.0 2.0
   76    62   -69    71   3.62500 -1.0 2.0
   76    75    77    78   0.84100 -1.0 2.0
   76    55    57    58   0.84100 -1.0 2.0
   55    53   -54    56   3.62500 -1.0 2.0
   55    53    54    59   3.62500 -1.0 2.0
   77    75    76    62   3.62500 -1.0 2.0
   77    75    76    55   3.62500 -1.0 2.0
   63    56    62    69   3.62500 -1.0 2.0
   63    56    62    76   3.62500 -1.0 2.0
   59    54    56    62   3.62500 -1.0 2.0
   59    54    56    63   3.62500 -1.0 2.0
   59    67    38    33   0.60050  1.0 1.0
   59    67    38    33   0.05600 -1.0 2.0
   59    67    38    33   0.26150  1.0 3.0
   59    67    38    39   0.30150 -1.0 2.0
   60    59    67    46   0.15000  1.0 3.0
   60    59    67    68   0.15000  1.0 3.0
   60    59    67    38  -0.11250  1.0 3.0
   61    59    67    46   0.15000  1.0 3.0
   61    59    67    68   0.15000  1.0 3.0
   61    59    67    38  -0.11250  1.0 3.0
   67    46    51    52   0.30150 -1.0 2.0
   67    46   -51    53   0.05850 -1.0 2.0
   67    46   -51    53   0.17250  1.0 3.0
   68    67    38    33   0.00000  1.0 1.0
   68    67    38    39   0.00000  1.0 1.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  1.0 3.0
   38    33    40    41   0.91850  1.0 1.0
   38    33    40    41   0.57950  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    48    49   2.45000 -1.0 2.0
   45    44    48    50   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    67   0.55300  1.0 1.0
   40    33    38    67   1.25850 -1.0 2.0
   40    33    38    67  -0.23600  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   46    53    51    52  10.50000 -1.0 2.0
   54    55    53    51   4.00000 -1.0 2.0
   56    59    54    53   4.00000 -1.0 2.0
   62    63    56    54   4.00000 -1.0 2.0
   69    76    62    56   4.00000 -1.0 2.0
   71    70    69    62   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   75    55    76    62   4.00000 -1.0 2.0
   76    57    55    53   4.00000 -1.0 2.0
   33    67    38    39  10.50000 -1.0 2.0
   37    48    44    45  10.50000 -1.0 2.0
   50    44    48    49   1.00000 -1.0 2.0
END
