* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    143    212     409
    1     0 S   NP   _N1_     1    28.96524    97.31181   -23.22541
    2     1 S   H    _HN1     2     1.02942    64.99144     1.56010
    3     1 S   H    _H1_     3     1.02832    43.66563   165.83894
    4     1 S   H    _H2_     4     1.02821   110.57731   -99.62345
    5     1 S   CT   _CA1     5     1.50108   135.95765    95.88471
    6     5 S   HC   _HA1     6     1.09589   105.16346   103.60576
    7     5 S   CO3  _C1_     7     1.53768   112.10687   -16.43434
    8     7 S   O2Z  _O11     8     1.26327   115.15207   -53.65777
    9     7 S   O2Z  _O12     9     1.26244   114.92411   125.17131
   10     5 S   CT   _CB1    10     1.53062   107.32192  -138.76383
   11    10 S   HC   HB11    11     1.09853   109.38151   -50.24925
   12    10 S   HC   HB12    12     1.09798   110.55404    66.30000
   13    10 S   CT   _CG1    13     1.53023   112.56367  -171.08897
   14    13 S   HC   HG11    14     1.09497   110.73420   -68.16223
   15    13 S   HC   HG12    15     1.09615   109.59004    51.10405
   16    13 S   C    _CD1    16     1.51793   111.35699   172.12780
   17    16 S   O    _OE1    17     1.22797   122.78131    26.11675
   18    16 S   N    _N2_    18     1.38588   112.33929  -154.31789
   19    18 S   H    _HN2    19     1.01517   119.08594     1.79787
   20    18 S   CT1  _CA2    20     1.46303   123.18471   174.98562
   21    20 S   HC   _HA2    21     1.09725   109.37276     5.24971
   22    20 S   C    _C2_    22     1.53668   108.43007  -110.20145
   23    22 S   O    _O2_    23     1.23053   122.22183  -149.74575
   24    20 S   CT   _CB2    32     1.53428   111.88214   127.51875
   25    24 S   HC   HB21    33     1.09169   109.33961    59.14884
   26    24 S   HC   HB22    34     1.09497   109.75096   177.55183
   27    22 S   N    _N3_    24     1.38285   113.73806    37.50608
   28    27 S   H    _HN3    25     1.01544   119.52107    -2.92141
   29    24 S   S    _SG2    35     1.82708   111.17778   -63.19433
   30    27 S   CT   _CA3    26     1.45255   123.54125   177.78265
   31    30 S   HC   HA31    27     1.09539   107.50290   -65.78424
   32    30 S   HC   HA32    28     1.09549   108.05463    50.75190
   33    29 S   CT   _C9_    36     1.88507   103.18804   167.36340
   34    30 S   CO3  _C3_    29     1.53036   113.84903   172.71460
   35    34 S   O2Z  _O31    30     1.26417   116.05458    -1.29543
   36    34 S   O2Z  _O32    31     1.26416   114.44342   178.74774
   37    33 S   CT   _C8_    37     1.53922   111.93083    36.13875
   38    37 S   HC   _H9_    38     1.09441   112.83896    57.34532
   39    37 S   HC   _H10    39     1.09590   112.02943   -62.58270
   40    33 S   S    _S1_    73     1.90122   104.55299   155.19790
   41    37 S   CO4  _C7_    40     1.51309   110.63181  -179.85598
   42    41 S   O    _O33    41     1.22979   121.68021  -130.40061
   43    40 S   CT   _C20    74     1.81283   102.55942   -71.47426
   44    43 S   HC   _H18    75     1.09383   108.37733   169.58792
   45    43 S   HC   _H19    76     1.09178   111.96436    50.70396
   46    43 S   HC   _H20    77     1.09238   110.74976   -72.64125
   47    41 S   CT   _C6_    42     1.51088   116.38222    54.53099
   48    47 S   HC   _H7_    43     1.09629   107.54923    71.76087
   49    47 S   HC   _H8_    44     1.09624   108.46182  -172.16118
   50    47 S   CT   _C5_    45     1.53732   111.86956   -50.85944
   51    50 S   HC   _H3_    46     1.09715   108.25554   -70.49120
   52    33 S   CT   _C10    47     1.58166   111.93069   -86.64940
   53    50 S   CT   _C4_    69     1.53717   108.16984   174.71368
   54    53 S   HC   _H4_    70     1.09480   111.88383   -62.63938
   55    53 S   HC   _H5_    71     1.09422   111.45568   175.89778
   56    53 S   HC   _H6_    72     1.09580   110.35841    57.02865
   57    52 S   CO4  _C11    48     1.52789   113.85227   -51.82318
   58    57 S   O    _O34    49     1.21631   127.70658   -66.93409
   59    57 S   CA   _C12    50     1.44518   107.72998   114.70196
   60    59 S   CA   _C17    51     1.37743   105.68938     2.71520
   61    60 S   CA   _C16    52     1.38354   120.49380   179.95154
   62    61 S   Cl   Cl1_    53     1.72677   119.69262   179.41449
   63    52 S   OS   _O35    68     1.46234   109.02929    63.52302
   64    61 S   CA   _C15    54     1.40549   118.81663     0.36316
   65    64 S   CA   _C14    55     1.41354   119.60177    -0.32924
   66    65 S   HA   _H11    56     1.08488   119.52007  -179.75531
   67    64 S   OS   _O36    63     1.37280   115.95756   179.83214
   68    59 S   CA   _C13    57     1.38417   131.29810  -177.02540
   69    67 S   CT   _C18    64     1.42162   117.65551  -174.80616
   70    69 S   HC   _H12    65     1.09428   107.71430   178.41045
   71    69 S   HC   _H13    66     1.09368   110.95550    60.90419
   72    69 S   HC   _H14    67     1.09465   111.25132   -63.90060
   73    68 S   OS   _O37    58     1.36363   116.96826    -0.28599
   74    73 S   CT   _C19    59     1.42209   117.15539   173.94838
   75    74 S   HC   _H15    60     1.09425   107.75103  -177.89271
   76    74 S   HC   _H16    61     1.09475   111.19803    64.35041
   77    74 S   HC   _H17    62     1.09386   110.97489   -60.26267
  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  11   5   4   3
  20   2   1   1  13   6   5   9   8   4   4   2   1   1  11   5
   4  11   7  11   5   2   1   1   8   4  10   8   8   4   2   9
   6   3   5   5   3   2   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    50    52    57    63    40    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    50    51    52    57    58    59    60    63    53    40    43    44    45    46  
   35    36  
   36  
    0  
   38    39    41    42    47    48    49    50    52    57    63    40    43  
   39    41    42    47    52    40  
   41    42    47    52    40  
   43    44    45    46    41    50    52    57    63  
   42    47    48    49    50    51    52    53  
   47    48    49    50  
   44    45    46    52  
   45    46  
   46  
    0  
   48    49    50    51    52    57    63    53    54    55    56  
   49    50    51    52    53  
   50    51    52    53  
   51    52    57    58    59    60    63    53    54    55    56  
   52    57    63    53    54    55    56  
   57    58    59    60    61    68    63    53    54    55    56  
   54    55    56    57    63  
   55    56  
   56  
    0  
   58    59    60    61    65    68    73    63  
   59    60    68    63  
   60    61    62    64    65    66    68    73    74    63  
   61    62    64    65    68    73    67    63  
   62    64    65    66    68    67    69    63  
   64    65    67    63  
   64    68  
   65    66    68    73    67    69    70    71    72  
   66    68    73    74    67    69  
   68    73    67  
   69    70    71    72    68  
   73    74    75    76    77  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.335000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   63   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   64   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   33    52   268.000  1.529
   33    40   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   317.000  1.522
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    57   317.000  1.522
   52    63   320.000  1.410
   57    58   570.000  1.229
   57    59   310.000  1.470
   59    60   469.000  1.400
   59    68   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   300.000  1.725
   61    64   469.000  1.400
   64    65   469.000  1.400
   64    67   450.000  1.364
   65    66   367.000  1.080
   65    68   469.000  1.400
   68    73   450.000  1.364
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   67    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    43   222.000  1.810
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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  111.63000
   29    33    52    75.00000  111.63000
   29    33    40    75.00000  118.28000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    52    50    58.35000  112.70000
   33    52    57    63.00000  111.10000
   33    52    63    50.00000  109.50000
   33    40    43    62.00000   98.90000
   37    41    42    80.00000  120.40000
   37    41    47    70.00000  116.00000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    63.00000  111.10000
   47    41    42    80.00000  120.40000
   47    50    51    37.50000  110.70000
   47    50    52    58.35000  112.70000
   47    50    53    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    37.50000  110.70000
   50    47    49    37.50000  110.70000
   50    52    57    63.00000  111.10000
   50    52    63    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    33    37    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    80.00000  120.40000
   52    57    59    65.00000  115.47100
   52    63    60    75.00000  111.00000
   57    59    60    60.00000  119.52600
   57    59    68    60.00000  119.52600
   59    57    58    75.00000  123.78400
   59    60    61    63.00000  120.00000
   59    60    63    70.00000  120.00000
   59    68    65    63.00000  120.00000
   59    68    73    70.00000  120.00000
   60    61    62    75.00000  120.00000
   60    61    64    63.00000  120.00000
   61    64    65    63.00000  120.00000
   61    64    67    70.00000  120.00000
   64    61    62    75.00000  120.00000
   64    65    66    35.00000  120.00000
   64    65    68    63.00000  120.00000
   64    67    69    75.00000  111.00000
   65    68    73    70.00000  120.00000
   68    59    60    63.00000  120.00000
   68    65    66    35.00000  120.00000
   68    73    74    75.00000  111.00000
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   67    64    65    70.00000  120.00000
   67    69    70    35.00000  109.50000
   67    69    71    35.00000  109.50000
   67    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   63    52    57    90.00000  108.74100
   63    60    61    70.00000  120.00000
   53    50    51    37.50000  110.70000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    33    37    75.00000  111.63000
   40    33    52    75.00000  111.63000
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   24    29    33    40   0.08500  1.0 1.0
   24    29    33    40  -0.53150 -1.0 2.0
   24    29    33    40   0.48050  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   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    52    50   0.44750  1.0 1.0
   29    33    52    50  -0.17800 -1.0 2.0
   29    33    52    50   0.20200  1.0 3.0
   29    33    52    57   0.56750  1.0 1.0
   29    33    52    57  -0.07550 -1.0 2.0
   29    33    52    57   0.20000  1.0 3.0
   29    33    52    63   0.56750  1.0 1.0
   29    33    52    63  -0.07550 -1.0 2.0
   29    33    52    63   0.20000  1.0 3.0
   29    33    40    43   0.08500  1.0 1.0
   29    33    40    43  -0.53150 -1.0 2.0
   29    33    40    43   0.48050  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37    41    47   0.60050  1.0 1.0
   33    37    41    47   0.05600 -1.0 2.0
   33    37    41    47   0.26150  1.0 3.0
   33    52    57    58   0.30150 -1.0 2.0
   33    52    57    59   0.05850 -1.0 2.0
   33    52    57    59   0.17250  1.0 3.0
   33    52    63    60  -0.32850  1.0 1.0
   33    52    63    60  -0.35800 -1.0 2.0
   33    52    63    60   0.33950  1.0 3.0
   33    40    43    44   0.32350  1.0 3.0
   33    40    43    45   0.32350  1.0 3.0
   33    40    43    46   0.32350  1.0 3.0
   37    33    52    50   0.56750  1.0 1.0
   37    33    52    50  -0.07550 -1.0 2.0
   37    33    52    50   0.20000  1.0 3.0
   37    33    52    57  -0.95700  1.0 1.0
   37    33    52    57  -0.18200 -1.0 2.0
   37    33    52    57   0.29450  1.0 3.0
   37    33    52    63   0.62750  1.0 1.0
   37    33    52    63  -0.30950 -1.0 2.0
   37    33    52    63   0.27300  1.0 3.0
   37    33    40    43   0.01700  1.0 1.0
   37    33    40    43  -0.23550 -1.0 2.0
   37    33    40    43   0.21350  1.0 3.0
   37    41    47    48   0.00000  1.0 1.0
   37    41    47    49   0.00000  1.0 1.0
   37    41   -47    50   0.60050  1.0 1.0
   37    41   -47    50   0.05600 -1.0 2.0
   37    41   -47    50   0.26150  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    47   0.00000  1.0 1.0
   39    37    41    42   0.00000  1.0 1.0
   39    37    41    47   0.00000  1.0 1.0
   41    47    50    51  -0.11250  1.0 3.0
   41    47    50    52  -0.95700  1.0 1.0
   41    47    50    52  -0.18200 -1.0 2.0
   41    47    50    52   0.29450  1.0 3.0
   41    47    50    53  -0.95700  1.0 1.0
   41    47    50    53  -0.18200 -1.0 2.0
   41    47    50    53   0.29450  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    49   0.00000  1.0 1.0
   42    41    47    50   0.30150 -1.0 2.0
   47    50   -52    33   0.56750  1.0 1.0
   47    50   -52    33  -0.07550 -1.0 2.0
   47    50   -52    33   0.20000  1.0 3.0
   47    50    52    57  -0.95700  1.0 1.0
   47    50    52    57  -0.18200 -1.0 2.0
   47    50    52    57   0.29450  1.0 3.0
   47    50    52    63   0.62750  1.0 1.0
   47    50    52    63  -0.30950 -1.0 2.0
   47    50    52    63   0.27300  1.0 3.0
   47    50    53    54   0.15000  1.0 3.0
   47    50    53    55   0.15000  1.0 3.0
   47    50    53    56   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    53   0.15000  1.0 3.0
   49    47    50    51   0.15000  1.0 3.0
   49    47    50    52   0.15000  1.0 3.0
   49    47    50    53   0.15000  1.0 3.0
   50    52    57    58   0.30150 -1.0 2.0
   50    52    57    59   0.05850 -1.0 2.0
   50    52    57    59   0.17250  1.0 3.0
   50    52    63    60  -0.32850  1.0 1.0
   50    52    63    60  -0.35800 -1.0 2.0
   50    52    63    60   0.33950  1.0 3.0
   51    50    52    33   0.15000  1.0 3.0
   51    50    52    57  -0.11250  1.0 3.0
   51    50    52    63   0.23400  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33    37    39   0.15000  1.0 3.0
   52    33   -37    41  -0.95700  1.0 1.0
   52    33   -37    41  -0.18200 -1.0 2.0
   52    33   -37    41   0.29450  1.0 3.0
   52    33    40    43   0.01700  1.0 1.0
   52    33    40    43  -0.23550 -1.0 2.0
   52    33    40    43   0.21350  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    56   0.15000  1.0 3.0
   52    57   -59    60   2.26350  1.0 1.0
   52    57   -59    60   0.76750 -1.0 2.0
   52    57   -59    60   0.22500  1.0 3.0
   52    57    59    68   2.26350  1.0 1.0
   52    57    59    68   0.76750 -1.0 2.0
   52    57    59    68   0.22500  1.0 3.0
   57    52   -63    60  -0.25600  1.0 1.0
   57    52   -63    60  -0.40050 -1.0 2.0
   57    52   -63    60   0.34700  1.0 3.0
   57    59    60    61   3.62500 -1.0 2.0
   57    59   -60    63   3.62500 -1.0 2.0
   57    59    68    65   3.62500 -1.0 2.0
   57    59    68    73   3.62500 -1.0 2.0
   58    57    59    60   1.05000 -1.0 2.0
   58    57    59    68   1.05000 -1.0 2.0
   59    60    61    62   3.62500 -1.0 2.0
   59    60    61    64   3.62500 -1.0 2.0
   59    60   -63    52   1.63200 -1.0 2.0
   59    68    73    74   1.63200 -1.0 2.0
   60    59    68    65   3.62500 -1.0 2.0
   60    59    68    73   3.62500 -1.0 2.0
   60    61   -64    65   3.62500 -1.0 2.0
   60    61    64    67   3.62500 -1.0 2.0
   61    60    63    52   1.63200 -1.0 2.0
   61    64    65    66   3.62500 -1.0 2.0
   61    64    65    68   3.62500 -1.0 2.0
   61    64    67    69   1.63200 -1.0 2.0
   62    61    64    65   3.62500 -1.0 2.0
   62    61    64    67   3.62500 -1.0 2.0
   64    65   -68    59   3.62500 -1.0 2.0
   64    65    68    73   3.62500 -1.0 2.0
   64    67    69    70   0.08050  1.0 3.0
   64    67    69    71   0.08050  1.0 3.0
   64    67    69    72   0.08050  1.0 3.0
   65    64    67    69   1.63200 -1.0 2.0
   65    68    73    74   1.63200 -1.0 2.0
   66    65    68    59   3.62500 -1.0 2.0
   66    65    68    73   3.62500 -1.0 2.0
   68    59   -60    61   3.62500 -1.0 2.0
   68    59    60    63   3.62500 -1.0 2.0
   68    73    74    75   0.08050  1.0 3.0
   68    73    74    76   0.08050  1.0 3.0
   68    73    74    77   0.08050  1.0 3.0
   67    64    65    66   3.62500 -1.0 2.0
   67    64    65    68   3.62500 -1.0 2.0
   63    52    57    58   0.30150 -1.0 2.0
   63    52   -57    59   0.65300  1.0 1.0
   63    52   -57    59  -0.03850 -1.0 2.0
   63    52   -57    59   0.33900  1.0 3.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    64   3.62500 -1.0 2.0
   53    50    52    33   0.56750  1.0 1.0
   53    50    52    33  -0.07550 -1.0 2.0
   53    50    52    33   0.20000  1.0 3.0
   53    50    52    57  -0.95700  1.0 1.0
   53    50    52    57  -0.18200 -1.0 2.0
   53    50    52    57   0.29450  1.0 3.0
   53    50    52    63   0.62750  1.0 1.0
   53    50    52    63  -0.30950 -1.0 2.0
   53    50    52    63   0.27300  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.56750  1.0 1.0
   40    33    37    41  -0.07550 -1.0 2.0
   40    33    37    41   0.20000  1.0 3.0
   40    33    52    50   0.44750  1.0 1.0
   40    33    52    50  -0.17800 -1.0 2.0
   40    33    52    50   0.20200  1.0 3.0
   40    33    52    57   0.56750  1.0 1.0
   40    33    52    57  -0.07550 -1.0 2.0
   40    33    52    57   0.20000  1.0 3.0
   40    33    52    63   0.56750  1.0 1.0
   40    33    52    63  -0.07550 -1.0 2.0
   40    33    52    63   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
   37    47    41    42  10.50000 -1.0 2.0
   52    59    57    58  10.50000 -1.0 2.0
   60    68    59    57   4.00000 -1.0 2.0
   61    63    60    59   4.00000 -1.0 2.0
   64    62    61    60   4.00000 -1.0 2.0
   65    67    64    61   4.00000 -1.0 2.0
   68    66    65    64   1.10000 -1.0 2.0
   65    73    68    59   4.00000 -1.0 2.0
END
