* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    248     464
    1     0 S   NP   _N1_     1    29.31581    96.25785   -24.07529
    2     1 S   H    _HN1     2     1.02959    64.27800    28.92451
    3     1 S   H    _H1_     3     1.02835    45.19281  -171.47311
    4     1 S   H    _H2_     4     1.02779   107.53111   -73.41607
    5     1 S   CT   _CA1     5     1.50144   138.98967   120.94828
    6     5 S   HC   _HA1     6     1.09575   105.19944   103.75491
    7     5 S   CO3  _C1_     7     1.53765   112.33021   -16.41040
    8     7 S   O2Z  _O11     8     1.26366   114.99320   -44.27550
    9     7 S   O2Z  _O12     9     1.26226   114.90958   134.70409
   10     5 S   CT   _CB1    10     1.53074   107.40441  -138.36743
   11    10 S   HC   HB11    11     1.09832   109.27929   -50.42269
   12    10 S   HC   HB12    12     1.09816   110.43830    66.09916
   13    10 S   CT   _CG1    13     1.53043   112.74083  -171.48590
   14    13 S   HC   HG11    14     1.09590   110.53181   -65.21283
   15    13 S   HC   HG12    15     1.09658   109.91422    54.04849
   16    13 S   C    _CD1    16     1.51846   112.18212   174.37047
   17    16 S   O    _OE1    17     1.22741   123.20288     2.14940
   18    16 S   N    _N2_    18     1.38617   111.76833  -177.64948
   19    18 S   H    _HN2    19     1.01601   119.11298     1.17703
   20    18 S   CT1  _CA2    20     1.46166   123.34868   179.12218
   21    20 S   HC   _HA2    21     1.09711   109.42236     2.64723
   22    20 S   C    _C2_    22     1.53505   109.34958  -113.43194
   23    22 S   O    _O2_    23     1.23089   121.85052  -151.01167
   24    20 S   CT   _CB2    32     1.53396   111.43189   124.76664
   25    24 S   HC   HB21    33     1.09344   109.30137    57.48179
   26    24 S   HC   HB22    34     1.09437   109.66699   176.01837
   27    22 S   N    _N3_    24     1.38373   114.22836    36.35607
   28    27 S   H    _HN3    25     1.01442   119.18646     0.07662
   29    24 S   S    _SG2    35     1.82849   111.92048   -64.35255
   30    27 S   CT   _CA3    26     1.45366   122.77716   177.63090
   31    30 S   HC   HA31    27     1.09518   108.43546    40.23209
   32    30 S   HC   HA32    28     1.09488   107.33161   156.86126
   33    29 S   CT   _C23    36     1.85919   101.23295   166.61955
   34    30 S   CO3  _C3_    29     1.52868   113.52795   -82.88647
   35    34 S   O2Z  _O31    30     1.26379   115.39030   -48.55563
   36    34 S   O2Z  _O32    31     1.26376   114.95124   132.40444
   37    33 S   CM   _C11    37     1.52624   107.95361   -72.55372
   38    37 S   HC   _H32    38     1.09514   112.44006   -70.68851
   39    33 S   CT   _C21    76     1.53773   110.22363    57.70389
   40    39 S   HC   _H44    77     1.09711   111.29929    60.01537
   41    39 S   HC   _H45    78     1.09685   110.69694   178.66294
   42    39 S   HC   _H46    79     1.09326   113.62010   -60.53266
   43    33 S   CT   _C22    80     1.54527   105.81300   172.86488
   44    43 S   HC   _H47    81     1.09709   111.83479   -61.87298
   45    43 S   HC   _H48    82     1.09743   112.45046    59.23121
   46    43 S   HC   _H49    83     1.09736   110.67766   178.83921
   47    37 S   CMA  _C12    39     1.35775   132.22883   110.27316
   48    47 S   OM   _O21    40     1.26839   122.95609   177.55215
   49    47 S   OS   _O24    41     1.40741   112.24036    -3.37255
   50    49 S   CT   _C19    42     1.42712   118.37650  -173.29214
   51    50 S   HC   _H42    43     1.09803   112.12106   -50.50654
   52    50 S   CM   _C7_    44     1.51342   108.68972  -170.69137
   53    52 S   CT   _C18    45     1.52031   111.49022  -122.87169
   54    53 S   HC   _H41    46     1.09877   108.83901  -135.87159
   55    52 S   CM   _C10    73     1.34034   123.64772    62.18777
   56    55 S   HC   _H30    74     1.08502   120.94991    -3.06810
   57    55 S   HC   _H31    75     1.08448   121.29826   177.02863
   58    53 S   CT   _C17    47     1.54328   100.83282   -20.71478
   59    58 S   HC   _H40    48     1.10265   106.52409   -74.78386
   60    53 S   CT   _C20    62     1.54434   112.30926   103.16167
   61    60 S   HC   _H43    63     1.09755   111.26751   -55.75639
   62    58 S   CM   _C6_    49     1.51429   117.69656   164.34929
   63    50 S   CT   _C15    70     1.53209   112.07367    76.19516
   64    63 S   HC   _H37    71     1.09515   110.28178    22.31514
   65    63 S   HC   _H38    72     1.09590   111.34995   -96.11147
   66    62 S   CT   _C13    50     1.50652   118.95695   -62.52058
   67    66 S   HC   _H33    51     1.09852   110.16879  -153.31214
   68    66 S   HC   _H34    52     1.09408   110.25853   -38.89085
   69    62 S   CM   _C9_    67     1.34383   120.87301   119.21710
   70    69 S   HC   _H28    68     1.08503   121.64507    -0.87849
   71    69 S   HC   _H29    69     1.08531   121.34432   179.29058
   72    66 S   CT   _C14    53     1.52716   114.28989    84.78511
   73    72 S   HC   _H35    54     1.09882   108.69518    82.45408
   74    72 S   HC   _H36    55     1.09712   107.68873  -163.99307
   75    72 S   CT   _C16    56     1.53057   115.94528   -39.52110
   76    75 S   HC   _H39    57     1.09944   108.62476    84.17870
   77    75 S   CM   _C4_    58     1.49262   115.14623  -156.10493
   78    77 S   CO4  _C5_    59     1.47462   108.44285   147.48485
   79    78 S   O    _O22    60     1.21742   127.17434   169.77363
   80    77 S   CM   _C8_    64     1.33612   130.05039   -31.19430
   81    80 S   HC   _H26    65     1.08480   121.16125    -0.83720
   82    80 S   HC   _H27    66     1.08522   121.69326   179.09216
   83    78 S   OS   _O23    61     1.36064   106.90527    -8.74660
  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
  13   2   1   1  13   5   8   3   2   1   4   2   1   1   6   2
   9  14   7  15  20   9   5   1   1  16   7  14   6  13   4   1
   1  11   6   5   3   1   1   8   4   3   8   4   6   5   2   3
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    39    40    41    42    43    44    45    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    47    48    49    39    40    41    42    43    44    45    46  
   35    36  
   36  
    0  
   38    47    48    49    50    39    40    41    42    43    44    45    46  
   47    48    49    39    43  
   40    41    42    43    44    45    46    47  
   41    42    43  
   42    43  
   43  
   44    45    46    47  
   45    46  
   46  
    0  
   48    49    50    51    52    63  
   49    50  
   50    51    52    53    58    63    64    65    55  
   51    52    53    54    58    59    62    60    63    64    65    55    56    57  
   52    53    58    63    64    65    55  
   53    54    58    59    62    75    83    60    61    63    64    65    55    56    57  
   54    58    59    62    66    72    75    76    77    78    83    60    61    69    63    64    65    55    56    57  
   58    59    62    75    83    60    61    63    55  
   56    57    58    60    63  
   57  
    0  
   59    62    66    67    68    72    75    83    60    61    69    70    71    63    64    65  
   62    66    60    69    63    64    65  
   61    80    63    62    66    72    73    74    75    76    77    78    79    83  
   72    75    76    77    78    83  
   66    67    68    72    73    74    75    69    70    71    63    64    65  
   64    65    66    69  
   65  
    0  
   67    68    72    73    74    75    76    77    69    70    71  
   68    72    73    74    75    69  
   72    73    74    75    69  
   70    71    72  
   71  
    0  
   73    74    75    76    77    78    83    80  
   74    75    76    77  
   75    76    77  
   76    77    78    79    83    80    81    82  
   77    78    83    80  
   78    79    83    80    81    82  
   79    83    80    81    82  
   83    80  
   81    82    83  
   82  
    0  
    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  -0.716200   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   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   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    47   465.000  1.376
   47    48   745.000  1.250
   47    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   317.000  1.510
   50    63   268.000  1.529
   52    53   317.000  1.510
   52    55   549.000  1.340
   53    54   340.000  1.090
   53    58   268.000  1.529
   53    60   268.000  1.529
   58    59   340.000  1.090
   58    62   317.000  1.510
   58    63   268.000  1.529
   62    66   317.000  1.510
   62    69   549.000  1.340
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    60   268.000  1.529
   77    78   320.000  1.462
   77    80   549.000  1.340
   78    79   570.000  1.229
   78    83   214.000  1.327
   83    60   320.000  1.410
   60    61   340.000  1.090
   80    81   340.000  1.080
   80    82   340.000  1.080
   69    70   340.000  1.080
   69    71   340.000  1.080
   63    64   340.000  1.090
   63    65   340.000  1.090
   55    56   340.000  1.080
   55    57   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   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  112.20000
   29    33    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    47    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    46    37.50000  110.70000
   37    47    48    65.00000  137.10300
   37    47    49    80.00000  120.01400
   47    37    38    40.00000  120.50800
   47    49    50    90.00000  111.18400
   49    47    48    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    85.00000  110.90400
   49    50    63    50.00000  109.50000
   50    52    53    65.00000  117.92700
   50    52    55    70.00000  124.00000
   50    63    58    58.35000  112.70000
   50    63    64    37.50000  110.70000
   50    63    65    37.50000  110.70000
   52    50    51    35.00000  109.50000
   52    53    54    35.00000  109.50000
   52    53    58    70.00000  112.02700
   52    53    60    70.00000  112.02700
   52    55    56    35.00000  120.00000
   52    55    57    35.00000  120.00000
   53    58    59    37.50000  110.70000
   53    58    62    70.00000  112.02700
   53    58    63    58.35000  112.70000
   53    60    75    58.35000  112.70000
   53    60    83    50.00000  109.50000
   53    60    61    37.50000  110.70000
   58    53    54    37.50000  110.70000
   58    62    66    65.00000  117.92700
   58    62    69    70.00000  124.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   62    58    59    35.00000  109.50000
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    72    70.00000  112.02700
   62    69    70    35.00000  120.00000
   62    69    71    35.00000  120.00000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    58.35000  112.70000
   68    66    67    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    68    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    70.00000  112.02700
   72    75    60    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    65.00000  116.34900
   75    77    80    70.00000  124.00000
   75    60    83    50.00000  109.50000
   75    60    61    37.50000  110.70000
   77    75    76    35.00000  109.50000
   77    78    79    80.00000  123.72100
   77    78    83    90.00000  111.29400
   77    80    81    35.00000  120.00000
   77    80    82    35.00000  120.00000
   78    83    60    83.00000  116.90000
   83    78    79    83.00000  123.40000
   83    60    61    35.00000  109.50000
   60    53    54    37.50000  110.70000
   60    53    58    58.35000  112.70000
   60    75    76    37.50000  110.70000
   60    75    77    70.00000  112.02700
   80    77    78    65.00000  118.96000
   82    80    81    35.00000  117.00000
   69    62    66    70.00000  124.00000
   71    69    70    35.00000  117.00000
   63    50    51    37.50000  110.70000
   63    50    52    70.00000  112.02700
   63    58    59    37.50000  110.70000
   63    58    62    70.00000  112.02700
   65    63    64    33.00000  107.80000
   55    52    53    70.00000  124.00000
   57    55    56    35.00000  117.00000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   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  -0.62250  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    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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    47   0.42700  1.0 1.0
   29    33    37    47  -0.70350 -1.0 2.0
   29    33    37    47  -0.43150  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    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    46   0.15000  1.0 3.0
   33    37    47    48   7.00000 -1.0 2.0
   33    37    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    46   0.15000  1.0 3.0
   37    47    49    50  -2.26850  1.0 1.0
   37    47    49    50   3.39050 -1.0 2.0
   38    37    47    48   7.00000 -1.0 2.0
   38    37    47    49   7.00000 -1.0 2.0
   47    49    50    51   0.08050  1.0 3.0
   47    49    50    52  -0.48150  1.0 1.0
   47    49    50    52   0.09250 -1.0 2.0
   47    49    50    52  -0.12850  1.0 3.0
   47    49    50    63  -0.46850  1.0 1.0
   47    49    50    63   0.09300 -1.0 2.0
   47    49    50    63  -0.12850  1.0 3.0
   48    47    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.09700  1.0 1.0
   49    50    52    53   0.15600 -1.0 2.0
   49    50    52    53  -0.50800  1.0 3.0
   49    50    52    55   0.39000  1.0 1.0
   49    50    52    55  -0.05800 -1.0 2.0
   49    50    52    55  -0.55150  1.0 3.0
   49    50    63    58   0.62750  1.0 1.0
   49    50    63    58  -0.30950 -1.0 2.0
   49    50    63    58   0.27300  1.0 3.0
   49    50    63    64   0.23400  1.0 3.0
   49    50    63    65   0.23400  1.0 3.0
   50    52    53    54   0.34800  1.0 3.0
   50    52   -53    58   0.46850  1.0 1.0
   50    52   -53    58   0.08550 -1.0 2.0
   50    52   -53    58   0.09800  1.0 3.0
   50    52    53    60   0.46850  1.0 1.0
   50    52    53    60   0.08550 -1.0 2.0
   50    52    53    60   0.09800  1.0 3.0
   50    52    55    56   7.00000 -1.0 2.0
   50    52    55    57   7.00000 -1.0 2.0
   51    50    52    53   0.34800  1.0 3.0
   51    50    52    55   0.00000  1.0 1.0
   51    50    63    58   0.15000  1.0 3.0
   51    50    63    64   0.15000  1.0 3.0
   51    50    63    65   0.15000  1.0 3.0
   52    50   -63    58   0.34400  1.0 1.0
   52    50   -63    58   0.09450 -1.0 2.0
   52    50   -63    58   0.11100  1.0 3.0
   52    50    63    64   0.15000  1.0 3.0
   52    50    63    65   0.15000  1.0 3.0
   52    53    58    59   0.15000  1.0 3.0
   52    53    58    62   0.31000  1.0 1.0
   52    53    58    62   0.14700 -1.0 2.0
   52    53    58    62   0.07550  1.0 3.0
   52    53   -58    63   0.34400  1.0 1.0
   52    53   -58    63   0.09450 -1.0 2.0
   52    53   -58    63   0.11100  1.0 3.0
   52    53    60    75   0.34400  1.0 1.0
   52    53    60    75   0.09450 -1.0 2.0
   52    53    60    75   0.11100  1.0 3.0
   52    53    60    83   0.61850  1.0 1.0
   52    53    60    83  -0.22750 -1.0 2.0
   52    53    60    83   0.15300  1.0 3.0
   52    53    60    61   0.15000  1.0 3.0
   53    52    55    56   7.00000 -1.0 2.0
   53    52    55    57   7.00000 -1.0 2.0
   53    58    62    66   0.46850  1.0 1.0
   53    58    62    66   0.08550 -1.0 2.0
   53    58    62    66   0.09800  1.0 3.0
   53    58    62    69   0.09850  1.0 1.0
   53    58    62    69   0.15250 -1.0 2.0
   53    58    62    69  -0.50650  1.0 3.0
   53    58   -63    50   0.56750  1.0 1.0
   53    58   -63    50  -0.07550 -1.0 2.0
   53    58   -63    50   0.20000  1.0 3.0
   53    58    63    64   0.15000  1.0 3.0
   53    58    63    65   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    62   0.15000  1.0 3.0
   54    53    58    63   0.15000  1.0 3.0
   54    53    60    75   0.15000  1.0 3.0
   54    53    60    83   0.23400  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   58    53    60    75   0.56750  1.0 1.0
   58    53    60    75  -0.07550 -1.0 2.0
   58    53    60    75   0.20000  1.0 3.0
   58    53    60    83   0.62750  1.0 1.0
   58    53    60    83  -0.30950 -1.0 2.0
   58    53    60    83   0.27300  1.0 3.0
   58    53    60    61   0.15000  1.0 3.0
   58    62    66    67   0.34800  1.0 3.0
   58    62    66    68   0.34800  1.0 3.0
   58    62    66    72   0.46850  1.0 1.0
   58    62    66    72   0.08550 -1.0 2.0
   58    62    66    72   0.09800  1.0 3.0
   58    62    69    70   7.00000 -1.0 2.0
   58    62    69    71   7.00000 -1.0 2.0
   59    58    62    66   0.34800  1.0 3.0
   59    58    62    69   0.00000  1.0 1.0
   59    58    63    50   0.15000  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   62    58    63    50   0.34400  1.0 1.0
   62    58    63    50   0.09450 -1.0 2.0
   62    58    63    50   0.11100  1.0 3.0
   62    58    63    64   0.15000  1.0 3.0
   62    58    63    65   0.15000  1.0 3.0
   62    66    72    73   0.15000  1.0 3.0
   62    66    72    74   0.15000  1.0 3.0
   62    66    72    75   0.34400  1.0 1.0
   62    66    72    75   0.09450 -1.0 2.0
   62    66    72    75   0.11100  1.0 3.0
   66    62    69    70   7.00000 -1.0 2.0
   66    62    69    71   7.00000 -1.0 2.0
   66    72    75    76   0.15000  1.0 3.0
   66    72    75    77   0.34400  1.0 1.0
   66    72    75    77   0.09450 -1.0 2.0
   66    72    75    77   0.11100  1.0 3.0
   66    72    75    60   0.56750  1.0 1.0
   66    72    75    60  -0.07550 -1.0 2.0
   66    72    75    60   0.20000  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   68    66    72    73   0.15000  1.0 3.0
   68    66    72    74   0.15000  1.0 3.0
   68    66    72    75   0.15000  1.0 3.0
   72    75    77    78   0.09700  1.0 1.0
   72    75    77    78   0.15600 -1.0 2.0
   72    75    77    78  -0.50800  1.0 3.0
   72    75    77    80   0.09850  1.0 1.0
   72    75    77    80   0.15250 -1.0 2.0
   72    75    77    80  -0.50650  1.0 3.0
   72    75    60    53   0.56750  1.0 1.0
   72    75    60    53  -0.07550 -1.0 2.0
   72    75    60    53   0.20000  1.0 3.0
   72    75    60    83   0.62750  1.0 1.0
   72    75    60    83  -0.30950 -1.0 2.0
   72    75    60    83   0.27300  1.0 3.0
   72    75    60    61   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    60   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    60   0.15000  1.0 3.0
   75    77    78    79  -0.64400  1.0 1.0
   75    77    78    79   0.26850 -1.0 2.0
   75    77   -78    83  -0.15000  1.0 1.0
   75    77   -78    83   0.89550 -1.0 2.0
   75    77   -78    83  -0.06900  1.0 3.0
   75    77    80    81   7.00000 -1.0 2.0
   75    77    80    82   7.00000 -1.0 2.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    80   0.00000  1.0 1.0
   76    75    60    53   0.15000  1.0 3.0
   76    75    60    83   0.23400  1.0 3.0
   76    75    60    61   0.15000  1.0 3.0
   77    75    60    53   0.34400  1.0 1.0
   77    75    60    53   0.09450 -1.0 2.0
   77    75    60    53   0.11100  1.0 3.0
   77    75   -60    83   0.61850  1.0 1.0
   77    75   -60    83  -0.22750 -1.0 2.0
   77    75   -60    83   0.15300  1.0 3.0
   77    75    60    61   0.15000  1.0 3.0
   77    78   -83    60   2.00000 -1.0 2.0
   78    77    80    81   7.00000 -1.0 2.0
   78    77    80    82   7.00000 -1.0 2.0
   78    83    60    53  -0.25900  1.0 1.0
   78    83    60    53  -0.47000 -1.0 2.0
   78    83    60    53   0.11750  1.0 3.0
   78    83   -60    75  -0.25900  1.0 1.0
   78    83   -60    75  -0.47000 -1.0 2.0
   78    83   -60    75   0.11750  1.0 3.0
   78    83    60    61   0.08050  1.0 3.0
   79    78    83    60   3.00000 -1.0 2.0
   60    53    58    59   0.15000  1.0 3.0
   60    53    58    62   0.34400  1.0 1.0
   60    53    58    62   0.09450 -1.0 2.0
   60    53    58    62   0.11100  1.0 3.0
   60    53    58    63   0.56750  1.0 1.0
   60    53    58    63  -0.07550 -1.0 2.0
   60    53    58    63   0.20000  1.0 3.0
   60    75   -77    78   0.09700  1.0 1.0
   60    75   -77    78   0.15600 -1.0 2.0
   60    75   -77    78  -0.50800  1.0 3.0
   60    75    77    80   0.09850  1.0 1.0
   60    75    77    80   0.15250 -1.0 2.0
   60    75    77    80  -0.50650  1.0 3.0
   80    77    78    79   1.00000 -1.0 2.0
   80    77    78    83  -0.56150  1.0 1.0
   80    77    78    83   2.19150 -1.0 2.0
   69    62    66    67   0.00000  1.0 1.0
   69    62    66    68   0.00000  1.0 1.0
   69    62    66    72   0.09850  1.0 1.0
   69    62    66    72   0.15250 -1.0 2.0
   69    62    66    72  -0.50650  1.0 3.0
   63    50   -52    53   0.46850  1.0 1.0
   63    50   -52    53   0.08550 -1.0 2.0
   63    50   -52    53   0.09800  1.0 3.0
   63    50    52    55   0.09850  1.0 1.0
   63    50    52    55   0.15250 -1.0 2.0
   63    50    52    55  -0.50650  1.0 3.0
   63    58    62    66   0.46850  1.0 1.0
   63    58    62    66   0.08550 -1.0 2.0
   63    58    62    66   0.09800  1.0 3.0
   63    58    62    69   0.09850  1.0 1.0
   63    58    62    69   0.15250 -1.0 2.0
   63    58    62    69  -0.50650  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    58   0.09850  1.0 1.0
   55    52    53    58   0.15250 -1.0 2.0
   55    52    53    58  -0.50650  1.0 3.0
   55    52    53    60   0.09850  1.0 1.0
   55    52    53    60   0.15250 -1.0 2.0
   55    52    53    60  -0.50650  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    47   0.09850  1.0 1.0
   39    33    37    47   0.15250 -1.0 2.0
   39    33    37    47  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    46   0.15000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    47   0.09850  1.0 1.0
   43    33    37    47   0.15250 -1.0 2.0
   43    33    37    47  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
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    47  15.00000 -1.0 2.0
   48    49    47    37  15.00000 -1.0 2.0
   50    53    52    55   1.10000 -1.0 2.0
   58    66    62    69   1.10000 -1.0 2.0
   75    78    77    80   1.10000 -1.0 2.0
   77    83    78    79  10.50000 -1.0 2.0
   81    82    80    77   1.10000 -1.0 2.0
   70    71    69    62   1.10000 -1.0 2.0
   56    57    55    52   1.10000 -1.0 2.0
END
