* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    247     462
    1     0 S   NP   _N1_     1    29.62699    95.16526   -25.76179
    2     1 S   H    _HN1     2     1.02788   114.89660  -124.50079
    3     1 S   H    _H1_     3     1.02947    89.68052   -14.37200
    4     1 S   H    _H2_     4     1.02818    17.39932   165.77199
    5     1 S   CT   _CA1     5     1.50184   118.62058    98.80896
    6     5 S   HC   _HA1     6     1.09566   105.15285    76.51075
    7     5 S   CO3  _C1_     7     1.53838   112.54140   -43.63368
    8     7 S   O2Z  _O11     8     1.26387   115.03775   -36.98122
    9     7 S   O2Z  _O12     9     1.26226   115.10254   142.02031
   10     5 S   CT   _CB1    10     1.53054   107.31361  -165.40199
   11    10 S   HC   HB11    11     1.09831   109.46946   -47.18145
   12    10 S   HC   HB12    12     1.09833   110.33770    69.45734
   13    10 S   CT   _CG1    13     1.52976   112.71226  -168.14772
   14    13 S   HC   HG11    14     1.09583   110.49383   -64.17883
   15    13 S   HC   HG12    15     1.09647   110.00816    55.18191
   16    13 S   C    _CD1    16     1.51734   112.16390   175.58155
   17    16 S   O    _OE1    17     1.22723   123.34658     0.17017
   18    16 S   N    _N2_    18     1.38698   111.75781  -179.70525
   19    18 S   H    _HN2    19     1.01558   119.11924     4.36431
   20    18 S   CT1  _CA2    20     1.46032   123.11804  -176.74996
   21    20 S   HC   _HA2    21     1.09581   108.96763     9.12727
   22    20 S   C    _C2_    22     1.53570   110.10039  -106.37074
   23    22 S   O    _O2_    23     1.23125   121.91793  -152.54241
   24    20 S   CT   _CB2    32     1.53521   111.69329   130.76210
   25    24 S   HC   HB21    33     1.09684   109.30590    70.71579
   26    24 S   HC   HB22    34     1.09548   110.76337  -172.72096
   27    22 S   N    _N3_    24     1.38214   114.16711    34.84623
   28    27 S   H    _HN3    25     1.01559   119.64750    -3.32614
   29    24 S   S    _SG2    35     1.83096   115.44004   -48.29411
   30    27 S   CT   _CA3    26     1.45290   123.13189   176.98474
   31    30 S   HC   HA31    27     1.09554   107.50299   -64.07642
   32    30 S   HC   HA32    28     1.09559   107.97066    52.32844
   33    29 S   CT   _C14    36     1.84507   101.27327   -62.32716
   34    33 S   HC   _H8_    37     1.09331   106.02797    51.17836
   35    30 S   CO3  _C3_    29     1.52939   114.16685   174.30746
   36    35 S   O2Z  _O31    30     1.26361   116.09722    -1.67035
   37    35 S   O2Z  _O32    31     1.26433   114.39633   178.40161
   38    33 S   CA   _C15    38     1.51762   112.43226   -68.09747
   39    33 S   CM   _C13    49     1.51562   107.63061   167.57258
   40    39 S   HC   _H18    50     1.09108   115.64672    53.75162
   41    38 S   CA   _C16    39     1.40438   119.45394   120.63582
   42    41 S   HA   _H19    40     1.08771   120.35362     0.00000
   43    39 S   CMA  _C12    51     1.35478   126.68267  -124.76326
   44    43 S   OM   _O34    52     1.26704   126.06525    -3.06593
   45    41 S   CA   _C17    41     1.39613   120.77931   179.96044
   46    45 S   HA   _H20    42     1.08622   119.89882   179.92087
   47    43 S   OS   _O33    53     1.41765   109.64429   178.09751
   48    45 S   CA   _C18    43     1.39274   120.08424    -0.20271
   49    48 S   HA   _H21    44     1.08600   120.05138  -179.94766
   50    47 S   CT   _C10    54     1.43690   116.04618  -139.94724
   51    50 S   HC   _H7_    55     1.09820   108.90323   -51.91757
   52    48 S   CA   _C19    45     1.39284   119.89103    -0.11535
   53    52 S   HA   _H22    46     1.08622   119.99385  -179.79826
   54    50 S   CT   _C11    56     1.54406   111.74903    68.33194
   55    54 S   HC   _H16    57     1.09801   109.65712    42.02935
   56    54 S   HC   _H17    58     1.09679   109.58216   -73.27582
   57    50 S   CT   _C9_    69     1.54823   108.84516  -167.24790
   58    57 S   HC   _H6_    70     1.09945   107.77235    77.11079
   59    38 S   CA   _C20    47     1.40494   122.13621   -59.92816
   60    59 S   HA   _H23    48     1.08730   120.54803     0.08623
   61    54 S   CT   _C5_    59     1.53513   112.77826   165.00567
   62    61 S   HC   _H4_    60     1.09438   111.30261  -179.52563
   63    57 S   CO4  _C21    71     1.52366   111.69976   -39.49867
   64    63 S   O    _O35    72     1.22486   124.23359   -77.02024
   65    61 S   CT   _C6_    61     1.53092   113.14383    50.99356
   66    65 S   HC   _H12    62     1.09649   110.27595   153.80784
   67    65 S   HC   _H13    63     1.09496   112.47278    34.60627
   68    63 S   OS   _O36    73     1.36394   110.06085   102.44707
   69    65 S   CT   _C7_    64     1.53341   105.75364   -88.00664
   70    69 S   HC   _H14    65     1.09491   112.07845   124.31147
   71    69 S   HC   _H15    66     1.09653   109.48806  -117.30757
   72    68 S   CT   _C22    74     1.43033   115.27068  -178.34495
   73    72 S   HC   _H24    75     1.09328   108.11222   179.42870
   74    72 S   HC   _H25    76     1.09429   110.28603    60.75001
   75    72 S   HC   _H26    77     1.09421   110.27860   -61.86619
   76    69 S   CT   _C8_    67     1.53151   105.59047     1.35480
   77    76 S   HC   _H5_    68     1.09530   113.45334  -145.00005
   78    61 S   NP   _N4_    78     1.51388   106.17357   -60.99620
   79    78 S   H    _H3_    79     1.03136   109.43911   -40.87786
   80    78 S   CT   _C4_    80     1.49970   114.87245  -159.50073
   81    80 S   HC   _H9_    81     1.09209   109.86768   -58.79328
   82    80 S   HC   _H10    82     1.09296   107.68031    61.91774
   83    80 S   HC   _H11    83     1.09293   107.67274  -179.55457
  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   8   5   4   3
  13   6   2   1   1  12   7   3   8   4   6   2   6   3  10   5
   3  16   8   3   2  15   6   5  15   7   1   1  15   8  10   3
  10   6   5   5   7   4   3   3   2   1   1   7   3   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    59    39    40    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    45    52    59    60    39    40    43    44    47  
   38    41    59    39    40    43  
   36    37  
   37  
    0  
   41    42    45    46    48    52    53    59    60    39    40    43  
   40    43    44    47    50    41    59  
   43    44    47  
   42    45    46    48    49    52    59    60  
   45    46    48    59  
   44    47    50    51    54    57  
   47    50  
   46    48    49    52    53    59  
   48    49    52  
   50    51    54    55    56    61    76    57    58    63  
   49    52    53    59    60  
   52    53    59  
   51    54    55    56    61    62    65    69    76    77    57    58    63    64    68    78  
   54    55    56    61    76    57    58    63  
   53    59    60  
   59    60  
   55    56    61    62    65    66    67    69    76    57    58    63    78    79    80  
   56    61    62    65    57    78  
   61    62    65    57    78  
   58    63    64    68    72    78    79    80    61    65    69    70    71    76    77  
   63    64    68    78    69    76    77  
   60  
    0  
   62    65    66    67    69    70    71    76    77    78    79    80    81    82    83  
   65    66    67    69    76    78    79    80  
   64    68    72    73    74    75    78    69    76    77  
   68    72    76  
   66    67    69    70    71    76    77    78    79    80  
   67    69    70    71    76    78  
   69    70    71    76    78  
   72    73    74    75    76  
   70    71    76    77    78    79    80  
   71    76    77    78  
   76    77    78  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80    81    82    83  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   42   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   47   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   72   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   76   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   78   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   79   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   80   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.6450   1.4500   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   317.000  1.510
   38    41   469.000  1.400
   38    59   469.000  1.400
   41    42   367.000  1.080
   41    45   469.000  1.400
   45    46   367.000  1.080
   45    48   469.000  1.400
   48    49   367.000  1.080
   48    52   469.000  1.400
   52    53   367.000  1.080
   52    59   469.000  1.400
   59    60   367.000  1.080
   39    40   340.000  1.080
   39    43   465.000  1.376
   43    44   745.000  1.250
   43    47   440.000  1.360
   47    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   61    78   367.000  1.471
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    76   268.000  1.529
   76    77   340.000  1.090
   76    57   268.000  1.529
   76    78   367.000  1.471
   57    58   340.000  1.090
   57    63   317.000  1.522
   63    64   570.000  1.229
   63    68   214.000  1.327
   68    72   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   78    79   434.000  1.010
   78    80   367.000  1.471
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  112.20000
   33    38    41    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    35.00000  117.00000
   33    39    43    70.00000  124.00000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  120.00000
   38    41    45    63.00000  120.00000
   38    59    52    63.00000  120.00000
   38    59    60    35.00000  120.00000
   41    45    46    35.00000  120.00000
   41    45    48    63.00000  120.00000
   45    41    42    35.00000  120.00000
   45    48    49    35.00000  120.00000
   45    48    52    63.00000  120.00000
   48    45    46    35.00000  120.00000
   48    52    53    35.00000  120.00000
   48    52    59    63.00000  120.00000
   52    48    49    35.00000  120.00000
   52    59    60    35.00000  120.00000
   59    38    41    63.00000  120.00000
   59    52    53    35.00000  120.00000
   39    33    34    35.00000  109.50000
   39    33    38    70.00000  112.99600
   39    43    44    65.00000  137.10300
   39    43    47    80.00000  120.01400
   43    39    40    40.00000  120.50800
   43    47    50    90.00000  111.18400
   47    43    44    65.00000  121.00000
   47    50    51    35.00000  109.50000
   47    50    54    50.00000  109.50000
   47    50    57    50.00000  109.50000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    61    58.35000  112.70000
   50    57    76    58.35000  112.70000
   50    57    58    37.50000  110.70000
   50    57    63    63.00000  111.10000
   54    50    51    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    65    58.35000  112.70000
   54    61    78    80.00000  111.20000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    69    58.35000  112.70000
   61    78    76    75.00000  113.01200
   61    78    79    35.00000  109.50000
   61    78    80    75.00000  113.01200
   65    61    62    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    76    58.35000  112.70000
   67    65    66    33.00000  107.80000
   69    65    66    37.50000  110.70000
   69    65    67    37.50000  110.70000
   69    76    77    37.50000  110.70000
   69    76    57    58.35000  112.70000
   69    76    78    80.00000  111.20000
   71    69    70    33.00000  107.80000
   76    69    70    37.50000  110.70000
   76    69    71    37.50000  110.70000
   76    57    58    37.50000  110.70000
   76    57    63    63.00000  111.10000
   76    78    79    35.00000  109.50000
   76    78    80    75.00000  113.01200
   57    50    51    37.50000  110.70000
   57    50    54    58.35000  112.70000
   57    76    77    37.50000  110.70000
   57    63    64    80.00000  120.40000
   57    63    68    81.00000  111.40000
   63    57    58    35.00000  109.50000
   63    68    72    83.00000  116.90000
   68    63    64    83.00000  123.40000
   68    72    73    35.00000  109.50000
   68    72    74    35.00000  109.50000
   68    72    75    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   78    61    62    35.00000  109.50000
   78    61    65    80.00000  111.20000
   78    76    77    35.00000  109.50000
   78    76    57    80.00000  111.20000
   78    80    81    35.00000  109.50000
   78    80    82    35.00000  109.50000
   78    80    83    35.00000  109.50000
   80    78    79    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41  -0.16000  1.0 1.0
   29    33    38    41  -0.03200 -1.0 2.0
   29    33    38    41   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    43   0.42700  1.0 1.0
   29    33    39    43  -0.70350 -1.0 2.0
   29    33    39    43  -0.43150  1.0 3.0
   33    38    41    42   3.62500 -1.0 2.0
   33    38    41    45   3.62500 -1.0 2.0
   33    38    59    52   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    43    44   7.00000 -1.0 2.0
   33    39    43    47   7.00000 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.33100  1.0 3.0
   34    33    39    43   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    43   1.44450  1.0 1.0
   38    33    39    43   0.06600 -1.0 2.0
   38    33    39    43   0.29250  1.0 3.0
   38    41    45    46   3.62500 -1.0 2.0
   38    41    45    48   3.62500 -1.0 2.0
   41    38    59    52   3.62500 -1.0 2.0
   41    38    59    60   3.62500 -1.0 2.0
   41    45    48    49   3.62500 -1.0 2.0
   41    45   -48    52   3.62500 -1.0 2.0
   42    41    45    46   3.62500 -1.0 2.0
   42    41    45    48   3.62500 -1.0 2.0
   45    48    52    53   3.62500 -1.0 2.0
   45    48    52    59   3.62500 -1.0 2.0
   46    45    48    49   3.62500 -1.0 2.0
   46    45    48    52   3.62500 -1.0 2.0
   48    52   -59    38   3.62500 -1.0 2.0
   48    52    59    60   3.62500 -1.0 2.0
   49    48    52    53   3.62500 -1.0 2.0
   49    48    52    59   3.62500 -1.0 2.0
   53    52    59    38   3.62500 -1.0 2.0
   53    52    59    60   3.62500 -1.0 2.0
   59    38    41    42   3.62500 -1.0 2.0
   59    38   -41    45   3.62500 -1.0 2.0
   39    33    38    41   0.18050 -1.0 2.0
   39    33    38    59   0.18050 -1.0 2.0
   39    43    47    50  -2.26850  1.0 1.0
   39    43    47    50   3.39050 -1.0 2.0
   40    39    43    44   7.00000 -1.0 2.0
   40    39    43    47   7.00000 -1.0 2.0
   43    47    50    51   0.08050  1.0 3.0
   43    47    50    54  -0.46850  1.0 1.0
   43    47    50    54   0.09300 -1.0 2.0
   43    47    50    54  -0.12850  1.0 3.0
   43    47    50    57  -0.46850  1.0 1.0
   43    47    50    57   0.09300 -1.0 2.0
   43    47    50    57  -0.12850  1.0 3.0
   44    43    47    50   2.00000 -1.0 2.0
   47    50    54    55   0.23400  1.0 3.0
   47    50    54    56   0.23400  1.0 3.0
   47    50    54    61   0.62750  1.0 1.0
   47    50    54    61  -0.30950 -1.0 2.0
   47    50    54    61   0.27300  1.0 3.0
   47    50    57    76   0.62750  1.0 1.0
   47    50    57    76  -0.30950 -1.0 2.0
   47    50    57    76   0.27300  1.0 3.0
   47    50    57    58   0.23400  1.0 3.0
   47    50    57    63  -0.09450  1.0 1.0
   47    50    57    63  -1.12950 -1.0 2.0
   47    50    57    63   0.54000  1.0 3.0
   50    54    61    62   0.15000  1.0 3.0
   50    54    61    65   0.56750  1.0 1.0
   50    54    61    65  -0.07550 -1.0 2.0
   50    54    61    65   0.20000  1.0 3.0
   50    54    61    78   1.36600  1.0 1.0
   50    54    61    78  -0.11450 -1.0 2.0
   50    54    61    78   0.24250  1.0 3.0
   50    57    63    64   0.30150 -1.0 2.0
   50    57    63    68   0.36750  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    61   0.15000  1.0 3.0
   51    50    57    76   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    63  -0.11250  1.0 3.0
   54    50    57    76   0.56750  1.0 1.0
   54    50    57    76  -0.07550 -1.0 2.0
   54    50    57    76   0.20000  1.0 3.0
   54    50    57    58   0.15000  1.0 3.0
   54    50    57    63  -0.95700  1.0 1.0
   54    50    57    63  -0.18200 -1.0 2.0
   54    50    57    63   0.29450  1.0 3.0
   54    61    65    66   0.15000  1.0 3.0
   54    61    65    67   0.15000  1.0 3.0
   54    61    65    69   0.56750  1.0 1.0
   54    61    65    69  -0.07550 -1.0 2.0
   54    61    65    69   0.20000  1.0 3.0
   54    61   -78    76   0.47100  1.0 1.0
   54    61    78    79   0.17350  1.0 3.0
   54    61    78    80   0.47100  1.0 1.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    65   0.15000  1.0 3.0
   55    54    61    78   0.19200  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    65   0.15000  1.0 3.0
   56    54    61    78   0.19200  1.0 3.0
   61    65    69    70   0.15000  1.0 3.0
   61    65    69    71   0.15000  1.0 3.0
   61    65   -69    76   0.56750  1.0 1.0
   61    65   -69    76  -0.07550 -1.0 2.0
   61    65   -69    76   0.20000  1.0 3.0
   61    78    80    81   0.15000  1.0 3.0
   61    78    80    82   0.15000  1.0 3.0
   61    78    80    83   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    69   0.15000  1.0 3.0
   62    61    78    76   0.15000  1.0 3.0
   62    61    78    79   0.13050  1.0 3.0
   62    61    78    80   0.15000  1.0 3.0
   65    61   -78    76   0.47100  1.0 1.0
   65    61    78    79   0.17350  1.0 3.0
   65    61    78    80   0.47100  1.0 1.0
   65    69    76    77   0.15000  1.0 3.0
   65    69    76    57   0.56750  1.0 1.0
   65    69    76    57  -0.07550 -1.0 2.0
   65    69    76    57   0.20000  1.0 3.0
   65    69   -76    78   1.36600  1.0 1.0
   65    69   -76    78  -0.11450 -1.0 2.0
   65    69   -76    78   0.24250  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    71   0.15000  1.0 3.0
   66    65    69    76   0.15000  1.0 3.0
   67    65    69    70   0.15000  1.0 3.0
   67    65    69    71   0.15000  1.0 3.0
   67    65    69    76   0.15000  1.0 3.0
   69    76    57    50   0.56750  1.0 1.0
   69    76    57    50  -0.07550 -1.0 2.0
   69    76    57    50   0.20000  1.0 3.0
   69    76    57    58   0.15000  1.0 3.0
   69    76    57    63  -0.95700  1.0 1.0
   69    76    57    63  -0.18200 -1.0 2.0
   69    76    57    63   0.29450  1.0 3.0
   69    76   -78    61   0.47100  1.0 1.0
   69    76    78    79   0.17350  1.0 3.0
   69    76    78    80   0.47100  1.0 1.0
   70    69    76    77   0.15000  1.0 3.0
   70    69    76    57   0.15000  1.0 3.0
   70    69    76    78   0.19200  1.0 3.0
   71    69    76    77   0.15000  1.0 3.0
   71    69    76    57   0.15000  1.0 3.0
   71    69    76    78   0.19200  1.0 3.0
   76    57    63    64   0.30150 -1.0 2.0
   76    57    63    68   0.36750  1.0 3.0
   76    78    80    81   0.15000  1.0 3.0
   76    78    80    82   0.15000  1.0 3.0
   76    78    80    83   0.15000  1.0 3.0
   77    76    57    50   0.15000  1.0 3.0
   77    76    57    58   0.15000  1.0 3.0
   77    76    57    63  -0.11250  1.0 3.0
   77    76    78    61   0.15000  1.0 3.0
   77    76    78    79   0.13050  1.0 3.0
   77    76    78    80   0.15000  1.0 3.0
   57    50    54    55   0.15000  1.0 3.0
   57    50    54    56   0.15000  1.0 3.0
   57    50    54    61   0.56750  1.0 1.0
   57    50    54    61  -0.07550 -1.0 2.0
   57    50    54    61   0.20000  1.0 3.0
   57    76   -78    61   0.47100  1.0 1.0
   57    76    78    79   0.17350  1.0 3.0
   57    76    78    80   0.47100  1.0 1.0
   57    63    68    72   1.63150  1.0 1.0
   57    63    68    72   2.92000 -1.0 2.0
   58    57    63    64   0.00000  1.0 1.0
   58    57    63    68   0.00000  1.0 1.0
   63    68    72    73   0.08050  1.0 3.0
   63    68    72    74   0.08050  1.0 3.0
   63    68    72    75   0.08050  1.0 3.0
   64    63    68    72   3.00000 -1.0 2.0
   78    61    65    66   0.19200  1.0 3.0
   78    61    65    67   0.19200  1.0 3.0
   78    61   -65    69   1.36600  1.0 1.0
   78    61   -65    69  -0.11450 -1.0 2.0
   78    61   -65    69   0.24250  1.0 3.0
   78    76   -57    50   1.36600  1.0 1.0
   78    76   -57    50  -0.11450 -1.0 2.0
   78    76   -57    50   0.24250  1.0 3.0
   78    76    57    58   0.19200  1.0 3.0
   78    76    57    63  -1.46550  1.0 1.0
   78    76    57    63  -0.30600 -1.0 2.0
   78    76    57    63  -0.05950  1.0 3.0
   79    78    80    81   0.13050  1.0 3.0
   79    78    80    82   0.13050  1.0 3.0
   79    78    80    83   0.13050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   41    59    38    33   4.00000 -1.0 2.0
   45    42    41    38   1.10000 -1.0 2.0
   48    46    45    41   1.10000 -1.0 2.0
   52    49    48    45   1.10000 -1.0 2.0
   59    53    52    48   1.10000 -1.0 2.0
   52    60    59    38   1.10000 -1.0 2.0
   33    40    39    43  15.00000 -1.0 2.0
   44    47    43    39  15.00000 -1.0 2.0
   57    68    63    64  10.50000 -1.0 2.0
END
