* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    224     416
    1     0 S   NP   _N1_     1    29.28909    95.04874   -24.96452
    2     1 S   H    _HN1     2     1.02828    35.11999  -164.55102
    3     1 S   H    _H1_     3     1.02785   115.80821   -79.93749
    4     1 S   H    _H2_     4     1.02950    72.19624    22.32639
    5     1 S   CT   _CA1     5     1.50118   127.96833   124.65090
    6     5 S   HC   _HA1     6     1.09573   105.19059    94.69651
    7     5 S   CO3  _C1_     7     1.53785   112.47842   -25.53506
    8     7 S   O2Z  _O11     8     1.26373   114.99697   -41.90020
    9     7 S   O2Z  _O12     9     1.26240   114.95359   137.22029
   10     5 S   CT   _CB1    10     1.53073   107.41610  -147.30559
   11    10 S   HC   HB11    11     1.09833   109.36548   -49.62728
   12    10 S   HC   HB12    12     1.09813   110.45225    66.98521
   13    10 S   CT   _CG1    13     1.52984   112.60056  -170.60129
   14    13 S   HC   HG11    14     1.09582   110.64112   -66.09280
   15    13 S   HC   HG12    15     1.09675   109.77082    53.13600
   16    13 S   C    _CD1    16     1.51805   112.21760   173.59611
   17    16 S   O    _OE1    17     1.22716   123.24412     7.97831
   18    16 S   N    _N2_    18     1.38617   111.62527  -172.32473
   19    18 S   H    _HN2    19     1.01579   118.90367     1.25523
   20    18 S   CT1  _CA2    20     1.46158   123.41343   176.76046
   21    20 S   HC   _HA2    21     1.09729   109.56107    -2.50241
   22    20 S   C    _C2_    22     1.53576   108.29825  -118.13535
   23    22 S   O    _O2_    23     1.23059   122.23366  -147.02332
   24    20 S   CT   _CB2    32     1.53452   111.59881   119.89269
   25    24 S   HC   HB21    33     1.09464   109.73253    55.76498
   26    24 S   HC   HB22    34     1.09239   109.16690   174.37782
   27    22 S   N    _N3_    24     1.38303   113.58184    39.73950
   28    27 S   H    _HN3    25     1.01584   119.40641    -0.84673
   29    24 S   S    _SG2    35     1.83030   111.58179   -65.85826
   30    27 S   CT   _CA3    26     1.45302   123.43202   177.14933
   31    30 S   HC   HA31    27     1.09538   107.21427   -76.28882
   32    30 S   HC   HA32    28     1.09553   108.46449    40.31219
   33    29 S   CT   _C21    36     1.86984   102.24413   177.10666
   34    30 S   CO3  _C3_    29     1.53019   113.96961   162.82825
   35    34 S   O2Z  _O31    30     1.26394   116.13123     7.08266
   36    34 S   O2Z  _O32    31     1.26459   114.45523  -172.72263
   37    33 S   CM   _C17    37     1.51829   107.25299   -65.93114
   38    37 S   HC   _H15    38     1.08886   117.26433    85.09369
   39    33 S   CT   _C15    48     1.55843   112.50398    54.44033
   40    39 S   HC   _H12    49     1.09995   107.66347  -175.59096
   41    39 S   HC   _H13    50     1.09854   108.96450   -63.50600
   42    37 S   CM   _C16    39     1.33857   125.61208   -95.35524
   43    42 S   HC   _H14    40     1.08366   121.63111  -179.88131
   44    39 S   CT1  _C13    51     1.54071   115.45737    61.82964
   45    44 S   HC   _H11    52     1.09444   112.39152   -27.25741
   46    42 S   CO4  _C18    41     1.47266   120.54978     2.20744
   47    46 S   O    _O7_    42     1.22064   122.75863   176.66434
   48    44 S   NIP  _N5_    53     1.49434   108.09446  -144.70461
   49    48 S   H    _H10    54     1.02595   116.16982   -79.57565
   50    44 S   CO3  _C14    76     1.53784   113.13907    98.29940
   51    50 S   O2Z  _O5_    77     1.26305   114.68284  -123.65480
   52    50 S   O2Z  _O6_    78     1.26381   115.72638    56.97891
   53    46 S   CO4  _C19    43     1.50553   117.60981    -2.94843
   54    53 S   O    _O8_    44     1.22186   119.05835   162.21879
   55    48 S   CG   _C9_    55     1.28429   125.01749    99.18280
   56    55 S   HC   _H6_    56     1.09863   117.87963     1.17086
   57    33 S   CT   _C20    45     1.54445   107.31384   175.33431
   58    57 S   HC   _H16    46     1.09649   111.68116   -48.85645
   59    57 S   HC   _H17    47     1.09818   110.52531  -167.82644
   60    55 S   CM   _C8_    57     1.47326   122.70026  -178.57990
   61    60 S   HC   _H5_    58     1.08710   116.59931    -8.38661
   62    60 S   CM   _C7_    59     1.34522   123.79503   172.79252
   63    62 S   CM   _C6_    60     1.46020   125.45498    -2.94510
   64    63 S   HC   _H4_    61     1.08363   118.52489   -15.68204
   65    63 S   CM   _C4_    62     1.34579   121.19974   164.41280
   66    65 S   NE   _N4_    63     1.38399   121.69916    -1.89383
   67    66 S   H    _H3_    64     1.01662   116.27990  -173.40459
   68    65 S   CO3  _C5_    73     1.55912   119.42165   179.41316
   69    68 S   O2Z  _O1_    74     1.26759   114.65948  -176.99202
   70    68 S   O2Z  _O33    75     1.26488   116.56325     3.26435
   71    66 S   CT1  _C12    65     1.45463   123.53222    -5.66358
   72    71 S   HC   _H9_    66     1.09752   108.57045   147.07359
   73    62 S   CT   _C11    67     1.52396   120.06645   178.11166
   74    73 S   HC   _H7_    68     1.09714   111.23833   -15.84013
   75    73 S   HC   _H8_    69     1.09942   107.30556   100.06337
   76    71 S   CO3  _C10    70     1.54065   107.90532   -98.04719
   77    76 S   O2Z  _O3_    71     1.26676   114.78659   -61.76770
   78    76 S   O2Z  _O4_    72     1.26362   116.42005   119.80771
  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
  17   2   1   1  13   5  15   6   5   6   3  10   6   6   3   9
   4   3   1   1   4   3   6   3   2   1   1   9   3  11  11   4
   9  12   5   3   1   1   7   6   5   2   1   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    53    57    58    59    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    53    54    57    58    59    39    40    41    44    45    48    50  
   35    36  
   36  
    0  
   38    42    43    46    47    53    57    58    59    39    40    41    44  
   42    43    46    57    39  
   40    41    44    45    48    49    55    50    51    52    42    53    57    58    59  
   41    44    45    48    50    57  
   44    45    48    50    57  
   43    46    47    53    54    57  
   46    47    53  
   45    48    49    55    56    60    50    51    52    57  
   48    49    55    50    51    52  
   47    53    54    57    58    59  
   53    54    57  
   49    55    56    60    61    62    50    51    52  
   55    56    60    50  
   51    52    55  
   52  
    0  
   54    57    58    59  
   57    58    59  
   56    60    61    62    63    73  
   60    61    62  
   58    59  
   59  
    0  
   61    62    63    64    65    71    73    74    75  
   62    63    73  
   63    64    65    66    71    72    73    74    75    76    68  
   64    65    66    67    71    73    74    75    68    69    70  
   65    66    73    68  
   66    67    71    72    73    76    68    69    70  
   67    71    72    73    74    75    76    77    78    68    69    70  
   71    72    73    76    68  
   69    70    71  
   70  
    0  
   72    73    74    75    76    77    78  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76  
   76  
   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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.2500   0.1700  -0.139000   2.2900   2.0360   0.003973653   1.685851020
   49   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.7500   0.1050   0.263400   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.273100   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.292300   2.0020   1.7750   0.023028004  -0.852763146
   66   3.2500   0.1700  -0.494200   1.8650   1.6500   0.051222218  -2.220205820
   67   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   68   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.037500   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   78   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   549.000  1.340
   42    43   340.000  1.080
   42    46   320.000  1.462
   46    47   570.000  1.229
   46    53   250.000  1.523
   53    54   570.000  1.229
   53    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   268.000  1.529
   44    45   340.000  1.090
   44    48   280.000  1.462
   44    50   317.000  1.522
   48    49   490.000  1.015
   48    55   635.000  1.286
   55    56   385.000  1.083
   55    60   400.000  1.403
   60    61   340.000  1.080
   60    62   549.000  1.340
   62    63   380.000  1.444
   62    73   317.000  1.510
   63    64   340.000  1.080
   63    65   549.000  1.340
   65    66   425.000  1.378
   65    68   230.000  1.545
   66    67   434.000  1.010
   66    71   382.000  1.448
   71    72   340.000  1.090
   71    73   268.000  1.529
   71    76   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   76    77   656.000  1.250
   76    78   656.000  1.250
   68    69   656.000  1.250
   68    70   656.000  1.250
   50    51   656.000  1.250
   50    52   656.000  1.250
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    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    57    53    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    59    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    58.35000  112.70000
   37    42    43    35.00000  120.00000
   37    42    46    65.00000  118.96000
   42    37    38    35.00000  120.00000
   42    46    47    80.00000  123.72100
   42    46    53    65.00000  116.00000
   46    42    43    40.00000  117.72500
   46    53    54    80.00000  119.30300
   46    53    57    65.00000  115.45000
   53    46    47    80.00000  119.30300
   53    57    58    35.00000  109.50000
   53    57    59    35.00000  109.50000
   57    33    37    70.00000  112.02700
   57    53    54    80.00000  120.40000
   59    57    58    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    57    58.35000  112.70000
   39    44    45    37.50000  110.70000
   39    44    48    75.00000  111.57000
   39    44    50    63.00000  111.10000
   41    39    40    33.00000  107.80000
   44    39    40    37.50000  110.70000
   44    39    41    37.50000  110.70000
   44    48    49    45.00000  117.21000
   44    48    55    70.00000  122.59000
   44    50    51    70.00000  117.00000
   44    50    52    70.00000  117.00000
   48    44    45    50.00000  106.46400
   48    55    56    45.00000  118.03900
   48    55    60    65.00000  126.03000
   55    48    49    45.00000  118.89500
   55    60    61    40.00000  116.17200
   55    60    62    65.00000  121.68800
   60    55    56    40.00000  123.36000
   60    62    63    70.00000  123.01800
   60    62    73    70.00000  124.00000
   62    60    61    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    65    70.00000  123.01800
   62    73    71    70.00000  112.02700
   62    73    74    35.00000  109.50000
   62    73    75    35.00000  109.50000
   63    65    66    70.00000  124.03900
   63    65    68    55.00000  124.75400
   65    63    64    35.00000  120.00000
   65    66    67    35.00000  114.50000
   65    66    71    50.00000  121.00000
   65    68    69    85.00000  113.83300
   65    68    70    85.00000  113.83300
   66    71    72    35.00000  109.50000
   66    71    73    80.00000  111.61500
   66    71    76    63.00000  110.10000
   71    66    67    35.00000  112.50000
   71    73    74    37.50000  110.70000
   71    73    75    37.50000  110.70000
   71    76    77    70.00000  117.00000
   71    76    78    70.00000  117.00000
   73    62    63    70.00000  124.00000
   73    71    72    37.50000  110.70000
   75    73    74    33.00000  107.80000
   76    71    72    35.00000  109.50000
   76    71    73    63.00000  111.10000
   78    76    77    80.00000  126.00000
   68    65    66    80.00000  114.48000
   70    68    69    80.00000  126.00000
   50    44    45    35.00000  109.50000
   50    44    48    75.00000  110.00000
   52    50    51    80.00000  126.00000
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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   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    57    53   0.56750  1.0 1.0
   29    33    57    53  -0.07550 -1.0 2.0
   29    33    57    53   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    59   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  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    39    44    45   0.15000  1.0 3.0
   33    39    44    48   0.56750  1.0 1.0
   33    39    44    48  -0.07550 -1.0 2.0
   33    39    44    48   0.20000  1.0 3.0
   33    39    44    50  -0.84850  1.0 1.0
   33    39    44    50  -0.22800 -1.0 2.0
   33    39    44    50   0.29250  1.0 3.0
   37    33    57    53  -0.98800  1.0 1.0
   37    33    57    53   0.48800 -1.0 2.0
   37    33    57    53   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    59   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.34400  1.0 1.0
   37    33    39    44   0.09450 -1.0 2.0
   37    33    39    44   0.11100  1.0 3.0
   37    42    46    47   1.00000 -1.0 2.0
   37    42   -46    53   0.50400  1.0 1.0
   37    42   -46    53   1.60000 -1.0 2.0
   37    42   -46    53  -0.01800  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    46   7.00000 -1.0 2.0
   42    46    53    54   0.03000  1.0 1.0
   42    46    53    54   0.58800 -1.0 2.0
   42    46    53    54   0.15550  1.0 3.0
   42    46    53    57   0.43900  1.0 1.0
   42    46    53    57  -0.18150 -1.0 2.0
   42    46    53    57  -0.03650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    53   0.92800 -1.0 2.0
   46    53   -57    33   0.65300  1.0 1.0
   46    53   -57    33  -0.03850 -1.0 2.0
   46    53   -57    33   0.33900  1.0 3.0
   46    53    57    58   0.00000  1.0 1.0
   46    53    57    59   0.00000  1.0 1.0
   47    46    53    54   0.06100 -1.0 2.0
   47    46    53    57   0.49600 -1.0 2.0
   54    53    57    33   0.30150 -1.0 2.0
   54    53    57    58   0.00000  1.0 1.0
   54    53    57    59   0.00000  1.0 1.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    42   0.09850  1.0 1.0
   57    33   -37    42   0.15250 -1.0 2.0
   57    33   -37    42  -0.50650  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    44   0.56750  1.0 1.0
   57    33    39    44  -0.07550 -1.0 2.0
   57    33    39    44   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    57    53  -0.95700  1.0 1.0
   39    33    57    53  -0.18200 -1.0 2.0
   39    33    57    53   0.29450  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    59   0.15000  1.0 3.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    55   0.00000  1.0 1.0
   39    44    50    51   0.00000  1.0 1.0
   39    44    50    52   0.00000  1.0 1.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    48   0.15000  1.0 3.0
   40    39    44    50  -0.03800  1.0 3.0
   41    39    44    45   0.15000  1.0 3.0
   41    39    44    48   0.15000  1.0 3.0
   41    39    44    50  -0.03800  1.0 3.0
   44    48    55    56   2.00000 -1.0 2.0
   44    48    55    60   2.00000 -1.0 2.0
   45    44    48    49   0.09500  1.0 3.0
   45    44    48    55  -0.22200  1.0 3.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52   0.00000  1.0 1.0
   48    44    50    51   0.30150 -1.0 2.0
   48    44    50    52   0.30150 -1.0 2.0
   48    55    60    61   0.97550 -1.0 2.0
   48    55    60    62   1.09700  1.0 1.0
   48    55    60    62   0.56350 -1.0 2.0
   48    55    60    62   0.49350  1.0 3.0
   49    48    55    56   2.00000 -1.0 2.0
   49    48    55    60   2.00000 -1.0 2.0
   55    60    62    63   7.00000 -1.0 2.0
   55    60    62    73   7.00000 -1.0 2.0
   56    55    60    61   0.00000  1.0 1.0
   56    55    60    62   1.36050 -1.0 2.0
   60    62    63    64  -0.18600  1.0 3.0
   60    62    63    65   0.28850  1.0 1.0
   60    62    63    65   2.61350 -1.0 2.0
   60    62    63    65   0.78400  1.0 3.0
   60    62    73    71   0.09850  1.0 1.0
   60    62    73    71   0.15250 -1.0 2.0
   60    62    73    71  -0.50650  1.0 3.0
   60    62    73    74   0.00000  1.0 1.0
   60    62    73    75   0.00000  1.0 1.0
   61    60    62    63   7.00000 -1.0 2.0
   61    60    62    73   7.00000 -1.0 2.0
   62    63    65    66   7.00000 -1.0 2.0
   62    63    65    68   7.00000 -1.0 2.0
   63    62    73    71   0.98200  1.0 1.0
   63    62    73    71  -0.11900 -1.0 2.0
   63    62    73    71   0.24250  1.0 3.0
   63    62    73    74   0.00000  1.0 1.0
   63    62    73    75   0.00000  1.0 1.0
   63    65    66    67   1.00000 -1.0 2.0
   63    65   -66    71  -0.54700  1.0 1.0
   63    65   -66    71   1.23000 -1.0 2.0
   63    65    68    69  -0.04000 -1.0 2.0
   63    65    68    69  -0.29050  1.0 3.0
   63    65    68    70  -0.04000 -1.0 2.0
   63    65    68    70  -0.29050  1.0 3.0
   64    63    65    66   7.00000 -1.0 2.0
   64    63    65    68   7.00000 -1.0 2.0
   65    66    71    72   0.00000  1.0 1.0
   65    66    71    73   0.25450  1.0 1.0
   65    66    71    73  -0.61700 -1.0 2.0
   65    66    71    73  -0.23550  1.0 3.0
   65    66    71    76  -0.12500  1.0 1.0
   65    66    71    76  -0.12500 -1.0 2.0
   65    66    71    76   0.25000  1.0 3.0
   66    65    68    69   1.91650 -1.0 2.0
   66    65    68    70   1.91650 -1.0 2.0
   66    71   -73    62   0.21700  1.0 1.0
   66    71   -73    62   0.68550 -1.0 2.0
   66    71   -73    62  -0.27950  1.0 3.0
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   66    71    73    75   0.22950  1.0 3.0
   66    71    76    77   0.00000  1.0 1.0
   66    71    76    78   0.00000  1.0 1.0
   67    66    71    72   0.00000  1.0 1.0
   67    66    71    73   0.00000  1.0 1.0
   67    66    71    76   0.00000  1.0 1.0
   72    71    73    62   0.15000  1.0 3.0
   72    71    73    74   0.15000  1.0 3.0
   72    71    73    75   0.15000  1.0 3.0
   72    71    76    77   0.00000  1.0 1.0
   72    71    76    78   0.00000  1.0 1.0
   73    62    63    64   0.00000  1.0 1.0
   73    62   -63    65  -0.18600  1.0 3.0
   73    71    76    77   0.00000  1.0 1.0
   73    71    76    78   0.00000  1.0 1.0
   76    71    73    62  -0.98800  1.0 1.0
   76    71    73    62   0.48800 -1.0 2.0
   76    71    73    62   0.76800  1.0 3.0
   76    71    73    74  -0.03800  1.0 3.0
   76    71    73    75  -0.03800  1.0 3.0
   68    65    66    67   1.82350 -1.0 2.0
   68    65    66    71   1.00000 -1.0 2.0
   50    44    48    49   0.00000  1.0 1.0
   50    44    48    55   0.00000  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   46    57    53    54  10.50000 -1.0 2.0
   44    49    48    55   1.00000 -1.0 2.0
   60    56    55    48  10.50000 -1.0 2.0
   55    61    60    62   1.10000 -1.0 2.0
   63    73    62    60   1.10000 -1.0 2.0
   62    64    63    65   1.10000 -1.0 2.0
   66    68    65    63   1.10000 -1.0 2.0
   71    65    66    67   1.00000 -1.0 2.0
   77    71    76    78  10.50000 -1.0 2.0
   69    65    68    70  10.50000 -1.0 2.0
   51    44    50    52  10.50000 -1.0 2.0
END
