* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    151    252     454
    1     0 S   NP   _N1_     1    28.79415    94.42542   -21.06374
    2     1 S   H    _HN1     2     1.02969    93.92313    40.12025
    3     1 S   H    _H1_     3     1.02830    28.61402   159.24749
    4     1 S   H    _H2_     4     1.02772    88.97982   -68.19825
    5     1 S   CT   _CA1     5     1.50157   139.15076   167.81092
    6     5 S   HC   _HA1     6     1.09576   105.20242    54.70372
    7     5 S   CO3  _C1_     7     1.53825   112.41667   -65.36670
    8     7 S   O2Z  _O11     8     1.26355   114.99201   -41.01831
    9     7 S   O2Z  _O12     9     1.26249   114.94175   138.07396
   10     5 S   CT   _CB1    10     1.53101   107.37095   172.55887
   11    10 S   HC   HB11    11     1.09811   109.27864   -50.55009
   12    10 S   HC   HB12    12     1.09826   110.40485    65.99276
   13    10 S   CT   _CG1    13     1.52969   112.72370  -171.78539
   14    13 S   HC   HG11    14     1.09564   110.18567   -62.72961
   15    13 S   HC   HG12    15     1.09632   110.21207    56.30928
   16    13 S   C    _CD1    16     1.51874   112.24074   176.28727
   17    16 S   O    _OE1    17     1.22717   123.18430   -15.68713
   18    16 S   N    _N2_    18     1.38534   111.65573   165.46071
   19    18 S   H    _HN2    19     1.01584   118.93851     0.40782
   20    18 S   CT1  _CA2    20     1.46257   123.68785  -178.73622
   21    20 S   HC   _HA2    21     1.09727   109.48597   -14.42855
   22    20 S   C    _C2_    22     1.53465   108.05890  -130.02284
   23    22 S   O    _O2_    23     1.23007   122.37169  -145.63312
   24    20 S   CT   _CB2    32     1.53494   111.01408   108.00215
   25    24 S   HC   HB21    33     1.09281   109.06951    50.99598
   26    24 S   HC   HB22    34     1.09486   110.56541   169.42984
   27    22 S   N    _N3_    24     1.38552   113.30710    41.81501
   28    27 S   H    _HN3    25     1.01529   118.87728    -0.59017
   29    24 S   S    _SG2    35     1.83129   111.44331   -71.81279
   30    27 S   CT   _CA3    26     1.45445   123.43536   175.09843
   31    30 S   HC   HA31    27     1.09525   109.19529    25.05667
   32    30 S   HC   HA32    28     1.09494   107.12508   142.05606
   33    29 S   CT   _C12    36     1.90281   102.27556   151.81812
   34    30 S   CO3  _C3_    29     1.52930   113.17357   -98.39305
   35    34 S   O2Z  _O31    30     1.26399   115.43959   -43.53408
   36    34 S   O2Z  _O32    31     1.26361   114.96250   137.42209
   37    33 S   CO4  _C13    37     1.54919   104.68637    50.03945
   38    37 S   O    _O34    38     1.22959   123.22577  -102.59842
   39    33 S   CT   _C11    51     1.57723   111.72486   165.23444
   40    39 S   OM   _O35    52     1.32197   111.21029    59.58472
   41    39 S   HC   _H3_    53     1.10207   106.45622  -169.72588
   42    33 S   CT   _C14    54     1.59240   110.61320   -66.93917
   43    42 S   HC   _H8_    55     1.09852   107.27100    69.24201
   44    37 S   CA   _C7_    39     1.48268   118.37400    74.67752
   45    42 S   CT   _C15    56     1.54756   116.37749   -48.41574
   46    45 S   HC   _H9_    57     1.09236   111.39226    54.23074
   47    45 S   HC   _H10    58     1.09431   110.95286   -64.92925
   48    44 S   CA   _C6_    40     1.40192   118.97237  -162.90682
   49    48 S   HA   _H6_    41     1.08721   121.10838    -1.20707
   50    45 S   CT   _C16    59     1.53132   111.59198   174.41145
   51    50 S   HC   _H11    60     1.09685   109.15213   178.43077
   52    50 S   HC   _H12    61     1.09743   108.81355   -65.83339
   53    48 S   CA   _C5_    42     1.39481   120.20798   177.98443
   54    53 S   HA   _H5_    43     1.08630   119.98617  -179.73681
   55    50 S   CT   _C17    62     1.53554   111.55139    56.80534
   56    55 S   HC   _H13    63     1.09959   107.02172    61.80810
   57    53 S   CA   _C4_    44     1.39221   119.98155    -0.03956
   58    57 S   HA   _H4_    45     1.08632   120.03435  -179.90513
   59    55 S   CA   _C20    64     1.51815   111.70566   179.77883
   60    55 S   CT   _C18    75     1.53648   110.90036   -54.49470
   61    60 S   HC   _H14    76     1.09726   110.84428   -66.91269
   62    60 S   HC   _H15    77     1.09721   109.92573   175.65657
   63    57 S   CA   _C9_    46     1.39512   120.00293     0.31714
   64    63 S   HA   _H7_    47     1.08719   118.65277   179.40062
   65    59 S   CA   _C21    65     1.40371   119.72892  -116.40769
   66    65 S   HA   _H18    66     1.08756   120.37914    -0.05595
   67    42 S   CT   _C19    78     1.54844   112.77871  -174.97157
   68    67 S   HC   _H16    79     1.09626   110.40889    66.96969
   69    67 S   HC   _H17    80     1.09529   110.70335   -51.28703
   70    44 S   CA   _C8_    48     1.39439   121.16961    15.54695
   71    65 S   CA   _C22    67     1.39659   120.81213   179.80617
   72    71 S   HA   _H19    68     1.08662   119.36913  -179.94766
   73    70 S   CO4  _C10    49     1.48265   120.95160     3.74675
   74    73 S   O    _O33    50     1.23017   118.13669  -175.40385
   75    71 S   CA   _C23    69     1.39292   119.71839    -0.03956
   76    75 S   Cl   Cl1_    70     1.72180   119.80611   179.96574
   77    75 S   CA   _C24    71     1.39295   120.39055    -0.03426
   78    77 S   HA   _H20    72     1.08663   120.90309  -179.87967
   79    59 S   CA   _C25    73     1.40382   121.71890    63.28949
   80    79 S   HA   _H21    74     1.08718   120.48485     0.05234
  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  12   5   4   3
  20   2   1   1  15   5  11   5   4  16   8  10  12   6   5   8
   4  11   5   4   6   3  14   7   5   3  13   7   4   3   4   2
   8   4   2   1   1   2   6   3   1   1   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    39    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    73    39    40    41    42    43    45    67  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    48    70    73    74    39    40    41    42    43    45    46    47    50    60    67    68    69  
   35    36  
   36  
    0  
   38    44    48    49    53    63    70    73    39    40    41    42    43    45    67  
   44    48    70    39    42  
   40    41    42    43    45    67    44    63    70    73    74  
   41    42    70    73    74  
   42    70    73    74  
   43    45    46    47    50    51    52    55    60    61    62    67    68    69    44    73  
   45    46    47    50    60    67    68    69  
   48    49    53    54    57    63    64    70    73    74  
   46    47    50    51    52    55    56    59    60    67    68    69  
   47    50    51    52    55    67  
   50    51    52    55    67  
   49    53    54    57    58    63    70    73  
   53    54    57    70  
   51    52    55    56    59    65    79    60    61    62    67  
   52    55    56    59    60  
   55    56    59    60  
   54    57    58    63    64    70  
   57    58    63  
   56    59    65    66    71    77    79    80    60    61    62    67    68    69  
   59    65    79    60    61    62    67  
   58    63    64    70    73  
   63    64    70  
   65    66    71    72    75    77    78    79    80    60    61    62    67  
   61    62    67    68    69    65    79  
   62    67    68    69  
   67    68    69  
   64    70    73    74  
   70    73  
   66    71    72    75    76    77    79    80  
   71    72    75    79  
   68    69  
   69  
    0  
   73    74  
   72    75    76    77    78    79  
   75    76    77  
   74  
    0  
   76    77    78    79    80  
   77    78    79  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   49   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660   0.055000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   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    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  1.522
   33    39   268.000  1.529
   33    42   268.000  1.529
   37    38   570.000  1.229
   37    44   310.000  1.470
   44    48   469.000  1.400
   44    70   469.000  1.400
   48    49   367.000  1.080
   48    53   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    63   469.000  1.400
   63    64   367.000  1.080
   63    70   469.000  1.400
   70    73   310.000  1.470
   73    74   570.000  1.229
   73    39   317.000  1.522
   39    40   570.000  1.307
   39    41   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    67   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    55   268.000  1.529
   55    56   340.000  1.090
   55    59   317.000  1.510
   55    60   268.000  1.529
   59    65   469.000  1.400
   59    79   469.000  1.400
   65    66   367.000  1.080
   65    71   469.000  1.400
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   300.000  1.725
   75    77   469.000  1.400
   77    78   367.000  1.080
   77    79   469.000  1.400
   79    80   367.000  1.080
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   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    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  110.18000
   29    33    39    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    44    65.00000  115.47100
   33    39    73    63.00000  111.10000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    45    58.35000  112.70000
   33    42    67    58.35000  112.70000
   37    44    48    60.00000  119.52600
   37    44    70    60.00000  119.52600
   44    37    38    75.00000  123.78400
   44    48    49    35.00000  120.00000
   44    48    53    63.00000  120.00000
   44    70    63    63.00000  120.00000
   44    70    73    60.00000  119.52600
   48    53    54    35.00000  120.00000
   48    53    57    63.00000  120.00000
   53    48    49    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    63    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    63    64    35.00000  120.00000
   57    63    70    63.00000  120.00000
   63    57    58    35.00000  120.00000
   63    70    73    60.00000  119.52600
   70    44    48    63.00000  120.00000
   70    63    64    35.00000  120.00000
   70    73    74    75.00000  123.78400
   70    73    39    65.00000  115.47100
   73    39    40    90.00000  108.74100
   73    39    41    35.00000  109.50000
   39    33    37    63.00000  111.10000
   39    73    74    80.00000  120.40000
   41    39    40    45.00000  125.66300
   42    33    37    63.00000  111.10000
   42    33    39    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    50    58.35000  112.70000
   42    67    60    58.35000  112.70000
   42    67    68    37.50000  110.70000
   42    67    69    37.50000  110.70000
   45    42    43    37.50000  110.70000
   45    50    51    37.50000  110.70000
   45    50    52    37.50000  110.70000
   45    50    55    58.35000  112.70000
   47    45    46    33.00000  107.80000
   50    45    46    37.50000  110.70000
   50    45    47    37.50000  110.70000
   50    55    56    37.50000  110.70000
   50    55    59    70.00000  112.17500
   50    55    60    58.35000  112.70000
   52    50    51    33.00000  107.80000
   55    50    51    37.50000  110.70000
   55    50    52    37.50000  110.70000
   55    59    65    70.00000  120.00000
   55    59    79    70.00000  120.00000
   55    60    61    37.50000  110.70000
   55    60    62    37.50000  110.70000
   55    60    67    58.35000  112.70000
   59    55    56    35.00000  109.50000
   59    65    66    35.00000  120.00000
   59    65    71    63.00000  120.00000
   59    79    77    63.00000  120.00000
   59    79    80    35.00000  120.00000
   65    71    72    35.00000  120.00000
   65    71    75    63.00000  120.00000
   71    65    66    35.00000  120.00000
   71    75    76    75.00000  120.00000
   71    75    77    63.00000  120.00000
   75    71    72    35.00000  120.00000
   75    77    78    35.00000  120.00000
   75    77    79    63.00000  120.00000
   77    75    76    75.00000  120.00000
   77    79    80    35.00000  120.00000
   79    59    65    63.00000  120.00000
   79    77    78    35.00000  120.00000
   60    55    56    37.50000  110.70000
   60    55    59    70.00000  112.17500
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   62    60    61    33.00000  107.80000
   67    42    43    37.50000  110.70000
   67    42    45    58.35000  112.70000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   69    67    68    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.30150 -1.0 2.0
   29    33    37    44   0.65300  1.0 1.0
   29    33    37    44  -0.03850 -1.0 2.0
   29    33    37    44   0.33900  1.0 3.0
   29    33    39    73   0.56750  1.0 1.0
   29    33    39    73  -0.07550 -1.0 2.0
   29    33    39    73   0.20000  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    45   0.44750  1.0 1.0
   29    33    42    45  -0.17800 -1.0 2.0
   29    33    42    45   0.20200  1.0 3.0
   29    33    42    67   0.44750  1.0 1.0
   29    33    42    67  -0.17800 -1.0 2.0
   29    33    42    67   0.20200  1.0 3.0
   33    37    44    48   2.26350  1.0 1.0
   33    37    44    48   0.76750 -1.0 2.0
   33    37    44    48   0.22500  1.0 3.0
   33    37    44    70   2.26350  1.0 1.0
   33    37    44    70   0.76750 -1.0 2.0
   33    37    44    70   0.22500  1.0 3.0
   33    42    45    46   0.15000  1.0 3.0
   33    42    45    47   0.15000  1.0 3.0
   33    42    45    50   0.56750  1.0 1.0
   33    42    45    50  -0.07550 -1.0 2.0
   33    42    45    50   0.20000  1.0 3.0
   33    42    67    60   0.56750  1.0 1.0
   33    42    67    60  -0.07550 -1.0 2.0
   33    42    67    60   0.20000  1.0 3.0
   33    42    67    68   0.15000  1.0 3.0
   33    42    67    69   0.15000  1.0 3.0
   37    33    39    73   0.11950  1.0 1.0
   37    33    39    73   0.20300 -1.0 2.0
   37    33    39    73  -0.70800  1.0 3.0
   37    33    39    40  -0.09450  1.0 1.0
   37    33    39    40  -1.12950 -1.0 2.0
   37    33    39    40   0.54000  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    42    43  -0.11250  1.0 3.0
   37    33    42    45  -0.95700  1.0 1.0
   37    33    42    45  -0.18200 -1.0 2.0
   37    33    42    45   0.29450  1.0 3.0
   37    33    42    67  -0.95700  1.0 1.0
   37    33    42    67  -0.18200 -1.0 2.0
   37    33    42    67   0.29450  1.0 3.0
   37    44    48    49   3.62500 -1.0 2.0
   37    44    48    53   3.62500 -1.0 2.0
   37    44    70    63   3.62500 -1.0 2.0
   37    44   -70    73   3.62500 -1.0 2.0
   38    37    44    48   1.05000 -1.0 2.0
   38    37    44    70   1.05000 -1.0 2.0
   44    48    53    54   3.62500 -1.0 2.0
   44    48    53    57   3.62500 -1.0 2.0
   44    70    73    74   1.05000 -1.0 2.0
   44    70    73    39   2.26350  1.0 1.0
   44    70    73    39   0.76750 -1.0 2.0
   44    70    73    39   0.22500  1.0 3.0
   48    44    70    63   3.62500 -1.0 2.0
   48    44    70    73   3.62500 -1.0 2.0
   48    53    57    58   3.62500 -1.0 2.0
   48    53   -57    63   3.62500 -1.0 2.0
   49    48    53    54   3.62500 -1.0 2.0
   49    48    53    57   3.62500 -1.0 2.0
   53    57    63    64   3.62500 -1.0 2.0
   53    57    63    70   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    63   3.62500 -1.0 2.0
   57    63   -70    44   3.62500 -1.0 2.0
   57    63    70    73   3.62500 -1.0 2.0
   58    57    63    64   3.62500 -1.0 2.0
   58    57    63    70   3.62500 -1.0 2.0
   63    70    73    74   1.05000 -1.0 2.0
   63    70    73    39   2.26350  1.0 1.0
   63    70    73    39   0.76750 -1.0 2.0
   63    70    73    39   0.22500  1.0 3.0
   64    63    70    44   3.62500 -1.0 2.0
   64    63    70    73   3.62500 -1.0 2.0
   70    44    48    49   3.62500 -1.0 2.0
   70    44   -48    53   3.62500 -1.0 2.0
   70    73   -39    33   0.05850 -1.0 2.0
   70    73   -39    33   0.17250  1.0 3.0
   70    73    39    40   0.65300  1.0 1.0
   70    73    39    40  -0.03850 -1.0 2.0
   70    73    39    40   0.33900  1.0 3.0
   70    73    39    41   0.00000  1.0 1.0
   74    73    39    33   0.30150 -1.0 2.0
   74    73    39    40   0.30150 -1.0 2.0
   74    73    39    41   0.00000  1.0 1.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33   -37    44   0.05850 -1.0 2.0
   39    33   -37    44   0.17250  1.0 3.0
   39    33    42    43   0.15000  1.0 3.0
   39    33    42    45   0.56750  1.0 1.0
   39    33    42    45  -0.07550 -1.0 2.0
   39    33    42    45   0.20000  1.0 3.0
   39    33    42    67   0.56750  1.0 1.0
   39    33    42    67  -0.07550 -1.0 2.0
   39    33    42    67   0.20000  1.0 3.0
   42    33    37    38   0.30150 -1.0 2.0
   42    33    37    44   0.05850 -1.0 2.0
   42    33    37    44   0.17250  1.0 3.0
   42    33    39    73  -0.95700  1.0 1.0
   42    33    39    73  -0.18200 -1.0 2.0
   42    33    39    73   0.29450  1.0 3.0
   42    33    39    40   0.62750  1.0 1.0
   42    33    39    40  -0.30950 -1.0 2.0
   42    33    39    40   0.27300  1.0 3.0
   42    33    39    41   0.15000  1.0 3.0
   42    45    50    51   0.15000  1.0 3.0
   42    45    50    52   0.15000  1.0 3.0
   42    45    50    55   0.56750  1.0 1.0
   42    45    50    55  -0.07550 -1.0 2.0
   42    45    50    55   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    50   0.15000  1.0 3.0
   43    42    67    60   0.15000  1.0 3.0
   43    42    67    68   0.15000  1.0 3.0
   43    42    67    69   0.15000  1.0 3.0
   45    42    67    60   0.56750  1.0 1.0
   45    42    67    60  -0.07550 -1.0 2.0
   45    42    67    60   0.20000  1.0 3.0
   45    42    67    68   0.15000  1.0 3.0
   45    42    67    69   0.15000  1.0 3.0
   45    50    55    56   0.15000  1.0 3.0
   45    50    55    59  -0.03700  1.0 1.0
   45    50    55    59   0.37200 -1.0 2.0
   45    50    55    59  -0.47300  1.0 3.0
   45    50   -55    60   0.56750  1.0 1.0
   45    50   -55    60  -0.07550 -1.0 2.0
   45    50   -55    60   0.20000  1.0 3.0
   46    45    50    51   0.15000  1.0 3.0
   46    45    50    52   0.15000  1.0 3.0
   46    45    50    55   0.15000  1.0 3.0
   47    45    50    51   0.15000  1.0 3.0
   47    45    50    52   0.15000  1.0 3.0
   47    45    50    55   0.15000  1.0 3.0
   50    55    59    65   0.04150 -1.0 2.0
   50    55    59    79   0.04150 -1.0 2.0
   50    55    60    61   0.15000  1.0 3.0
   50    55    60    62   0.15000  1.0 3.0
   50    55    60    67   0.56750  1.0 1.0
   50    55    60    67  -0.07550 -1.0 2.0
   50    55    60    67   0.20000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    59   0.43200  1.0 3.0
   51    50    55    60   0.15000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    59   0.43200  1.0 3.0
   52    50    55    60   0.15000  1.0 3.0
   55    59    65    66   3.62500 -1.0 2.0
   55    59    65    71   3.62500 -1.0 2.0
   55    59    79    77   3.62500 -1.0 2.0
   55    59    79    80   3.62500 -1.0 2.0
   55    60   -67    42   0.56750  1.0 1.0
   55    60   -67    42  -0.07550 -1.0 2.0
   55    60   -67    42   0.20000  1.0 3.0
   55    60    67    68   0.15000  1.0 3.0
   55    60    67    69   0.15000  1.0 3.0
   56    55    59    65   0.00000  1.0 1.0
   56    55    59    79   0.00000  1.0 1.0
   56    55    60    61   0.15000  1.0 3.0
   56    55    60    62   0.15000  1.0 3.0
   56    55    60    67   0.15000  1.0 3.0
   59    55    60    61   0.43200  1.0 3.0
   59    55    60    62   0.43200  1.0 3.0
   59    55    60    67  -0.03700  1.0 1.0
   59    55    60    67   0.37200 -1.0 2.0
   59    55    60    67  -0.47300  1.0 3.0
   59    65    71    72   3.62500 -1.0 2.0
   59    65    71    75   3.62500 -1.0 2.0
   65    59    79    77   3.62500 -1.0 2.0
   65    59    79    80   3.62500 -1.0 2.0
   65    71    75    76   3.62500 -1.0 2.0
   65    71   -75    77   3.62500 -1.0 2.0
   66    65    71    72   3.62500 -1.0 2.0
   66    65    71    75   3.62500 -1.0 2.0
   71    75    77    78   3.62500 -1.0 2.0
   71    75    77    79   3.62500 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    77   -79    59   3.62500 -1.0 2.0
   75    77    79    80   3.62500 -1.0 2.0
   76    75    77    78   3.62500 -1.0 2.0
   76    75    77    79   3.62500 -1.0 2.0
   78    77    79    59   3.62500 -1.0 2.0
   78    77    79    80   3.62500 -1.0 2.0
   79    59    65    66   3.62500 -1.0 2.0
   79    59   -65    71   3.62500 -1.0 2.0
   60    55    59    65   0.04150 -1.0 2.0
   60    55    59    79   0.04150 -1.0 2.0
   61    60    67    42   0.15000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   62    60    67    42   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   67    42    45    46   0.15000  1.0 3.0
   67    42    45    47   0.15000  1.0 3.0
   67    42   -45    50   0.56750  1.0 1.0
   67    42   -45    50  -0.07550 -1.0 2.0
   67    42   -45    50   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    44    37    38  10.50000 -1.0 2.0
   48    70    44    37   4.00000 -1.0 2.0
   53    49    48    44   1.10000 -1.0 2.0
   57    54    53    48   1.10000 -1.0 2.0
   63    58    57    53   1.10000 -1.0 2.0
   70    64    63    57   1.10000 -1.0 2.0
   63    73    70    44   4.00000 -1.0 2.0
   70    39    73    74  10.50000 -1.0 2.0
   65    79    59    55   4.00000 -1.0 2.0
   71    66    65    59   1.10000 -1.0 2.0
   75    72    71    65   1.10000 -1.0 2.0
   77    76    75    71   4.00000 -1.0 2.0
   79    78    77    75   1.10000 -1.0 2.0
   77    80    79    59   1.10000 -1.0 2.0
END
