* LIGAND DATABASE FILE (OPLS2005)
*
001      78    81    143    238     430
    1     0 S   NP   _N1_     1    32.14691   101.18465   -22.23163
    2     1 S   H    _HN1     2     1.03480   173.49157   -45.00027
    3     1 S   H    _H1_     3     1.02854    68.96159  -106.98366
    4     1 S   H    _H2_     4     1.02738    78.88177   139.41652
    5     1 S   CT   _CA1     5     1.50134    64.93155    19.76643
    6     5 S   HC   _HA1     6     1.09539   104.95870   123.19679
    7     5 S   CO3  _C1_     7     1.53793   113.27797     2.52615
    8     7 S   O2Z  _O11     8     1.26438   115.06782   -27.94928
    9     7 S   O2Z  _O12     9     1.26236   115.17542   151.60011
   10     5 S   CT   _CB1    10     1.53039   107.42875  -118.23316
   11    10 S   HC   HB11    11     1.09580   109.40549   -39.30146
   12    10 S   HC   HB12    12     1.09838   110.33369    76.23953
   13    10 S   CT   _CG1    13     1.53343   113.00015  -162.03931
   14    13 S   HC   HG11    14     1.09544   110.80630   -97.78005
   15    13 S   HC   HG12    15     1.09641   111.74943    21.66824
   16    13 S   C    _CD1    16     1.51483   109.69714   141.84996
   17    16 S   O    _OE1    17     1.22756   122.23752    97.13274
   18    16 S   N    _N2_    18     1.38376   112.13084   -80.03603
   19    18 S   H    _HN2    19     1.01846   119.04062    -5.38903
   20    18 S   CT1  _CA2    20     1.45945   123.52266   173.18983
   21    20 S   HC   _HA2    21     1.09652   108.76388    32.49899
   22    20 S   C    _C2_    22     1.53252   108.31995   -84.49319
   23    22 S   O    _O2_    23     1.23084   121.28974   150.36592
   24    20 S   CT   _CB2    32     1.53315   111.69206   156.22444
   25    24 S   HC   HB21    33     1.09289   109.48874    62.53511
   26    24 S   HC   HB22    34     1.09583   109.87258  -179.98022
   27    22 S   N    _N3_    24     1.38437   114.14918   -37.19118
   28    27 S   H    _HN3    25     1.01596   119.19242     2.45256
   29    24 S   S    _SG2    35     1.83198   111.06441   -60.42852
   30    27 S   CT   _CA3    26     1.45230   123.45633  -177.39286
   31    30 S   HC   HA31    27     1.09554   108.17540   -46.65312
   32    30 S   HC   HA32    28     1.09544   107.28111    69.75202
   33    29 S   CT   _C23    36     1.88039   103.17470   149.99181
   34    33 S   OM   _O38    37     1.32060   111.23457    36.27242
   35    30 S   CO3  _C3_    29     1.53050   114.27148  -168.82657
   36    35 S   O2Z  _O31    30     1.26444   116.34192     2.05195
   37    35 S   O2Z  _O32    31     1.26426   114.42375  -178.21469
   38    33 S   CM   _C6_    38     1.52682   108.08268   -86.66525
   39    33 S   CT   _C22    67     1.56096   108.29358   153.26936
   40    39 S   HC   _H4_    68     1.09974   109.58654  -161.22440
   41    38 S   CMA  _C7_    39     1.36412   127.18581  -107.94760
   42    41 S   OM   _O33    40     1.27180   128.65423   173.25203
   43    39 S   OH   _O39    69     1.43524   111.66496   -45.20327
   44    43 S   HO   _H15    70     0.97348   105.73726   -42.46115
   45    38 S   CO4  _C5_    73     1.50787   118.90384    70.16444
   46    45 S   O    _O41    74     1.23119   121.30876   -92.44491
   47    41 S   CT   _C8_    41     1.59219   119.61218    -3.07116
   48    45 S   CT   _C4_    75     1.50711   117.30393    87.05428
   49    48 S   HC   _H5_    76     1.09349   109.01161   129.06121
   50    48 S   HC   _H6_    77     1.09347   111.26512    10.00559
   51    48 S   HC   _H7_    78     1.09290   109.35436  -110.69343
   52    47 S   CMA  _C21    42     1.60229   116.53024  -102.61696
   53    52 S   OM   _O34    43     1.26671   111.85399   -35.13586
   54    47 S   OH   _O40    71     1.45262   108.52704   138.30524
   55    54 S   HO   _H16    72     0.97448   104.72557    44.95783
   56    52 S   CM   _C20    44     1.36803   119.35394   145.67679
   57    56 S   CM   _C11    45     1.46058   123.59063     0.85843
   58    56 S   CO4  _C19    56     1.52030   119.64306  -179.73681
   59    58 S   O    _O35    57     1.22636   123.99450   -16.52331
   60    57 S   CM   _C12    46     1.34171   122.13346  -169.07112
   61    60 S   HC   _H10    47     1.08604   120.59190   179.07550
   62    57 S   CT   _C10    62     1.49886   117.55146     9.64112
   63    62 S   HC   _H8_    63     1.09786   108.75304    80.94536
   64    62 S   HC   _H9_    64     1.09713   111.42269  -163.03556
   65    60 S   CA   _C13    48     1.46038   121.70875    -0.45928
   66    47 S   CT   _C9_    65     1.55556   109.26952    24.44896
   67    66 S   HC   _H3_    66     1.09955   109.26407    66.30296
   68    65 S   CA   _C14    49     1.40306   119.30894   174.87012
   69    68 S   HA   _H11    50     1.08752   120.21292    -0.70443
   70    68 S   CA   _C15    51     1.39324   119.96761   179.33618
   71    70 S   CA   _C16    52     1.38933   120.74423    -0.15826
   72    71 S   HA   _H12    53     1.08665   120.25084   180.00000
   73    70 S   OH   _O37    60     1.36628   121.07730   179.89532
   74    73 S   HO   _H14    61     0.97237   108.68956    -0.10835
   75    71 S   CA   _C17    54     1.39498   119.45705    -0.02798
   76    65 S   CA   _C18    55     1.40250   120.85906    -6.00649
   77    75 S   OH   _O36    58     1.36960   115.86310   179.84805
   78    77 S   HO   _H13    59     0.97456   108.60016   178.68032
  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   9   5   4   3
  15   7   2   1   1  15  14   6  13   5   5   1   6   4  12   3
   2   1   1  12   5   5   1  12  12   9   3  11   4   5   3   2
   8   1   1   8   4   7   7   4   2   1   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    66    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    47    62    66    67    39    40    43    44    45    46    48  
   38    41    66    39    40    43    45  
   36    37  
   37  
    0  
   41    42    47    52    66    39    40    43    54    45    46    48    49    50    51  
   40    43    44    54    45    41    47    52    57    62    63    64    66    67  
   43    44    47    62    66    67  
   42    47    52    53    56    62    66    67    54    55    45    46    48  
   47    52    66    54    45  
   44    47    62    66    67  
   66  
   46    48    49    50    51    47  
   48    49    50    51  
   52    53    56    57    58    62    63    64    66    67    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    56    57    60    76    58    59    62    66    67    54    55  
   56    57    58    66    54  
   55    56    62    66    67  
   66  
   57    60    61    65    75    76    58    59    62    63    64    66  
   60    61    65    68    76    58    59    62    63    64    66    67  
   59    77    62    60    65    68    71    75    76  
   65    75    76  
   61    65    68    69    70    75    76    62    63    64    66  
   65    68    76    62  
   63    64    66    67    65  
   64    66    67  
   66    67  
   68    69    70    71    75    76    77    73  
   67  
    0  
   69    70    71    72    75    76    73    74  
   70    71    76    73  
   71    72    75    76    77    73    74  
   72    75    76    77    78    73    74  
   75    76    77    73  
   74    75  
    0  
   76    77    78  
   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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   53   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   54   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   55   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   570.000  1.307
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    41   465.000  1.376
   38    45   320.000  1.462
   41    42   745.000  1.250
   41    47   270.000  1.512
   47    52   270.000  1.512
   47    66   268.000  1.529
   47    54   320.000  1.410
   52    53   745.000  1.250
   52    56   465.000  1.376
   56    57   380.000  1.444
   56    58   320.000  1.462
   57    60   549.000  1.340
   57    62   317.000  1.510
   60    61   340.000  1.080
   60    65   320.000  1.460
   65    68   469.000  1.400
   65    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   469.000  1.400
   70    73   450.000  1.364
   71    72   367.000  1.080
   71    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    58   310.000  1.470
   58    59   570.000  1.229
   77    78   553.000  0.945
   73    74   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   268.000  1.529
   66    67   340.000  1.090
   66    39   268.000  1.529
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   54    55   553.000  0.945
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    70.00000  124.00000
   33    38    45    65.00000  116.34900
   33    39    66    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    85.00000  110.90400
   38    41    42    65.00000  137.10300
   38    41    47    65.00000  122.18000
   38    45    46    80.00000  123.72100
   38    45    48    65.00000  118.62400
   41    47    52    70.00000  110.12100
   41    47    66    70.00000  112.02700
   41    47    54    90.00000  110.39200
   47    41    42    85.00000  112.85300
   47    52    53    85.00000  112.85300
   47    52    56    65.00000  122.18000
   47    66    62    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    66    39    58.35000  112.70000
   47    54    55    55.00000  108.50000
   52    56    57    70.00000  117.34000
   52    56    58    60.00000  125.92000
   56    52    53    65.00000  137.10300
   56    57    60    70.00000  123.01800
   56    57    62    70.00000  124.00000
   56    58    76    65.00000  117.02400
   56    58    59    80.00000  123.72100
   57    60    61    35.00000  120.00000
   57    60    65    60.00000  123.20500
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    66    70.00000  112.02700
   60    65    68    60.00000  120.93500
   60    65    76    60.00000  120.93500
   65    60    61    40.00000  117.26300
   65    68    69    35.00000  120.00000
   65    68    70    63.00000  120.00000
   65    76    75    63.00000  120.00000
   65    76    58    60.00000  119.52600
   68    70    71    63.00000  120.00000
   68    70    73    70.00000  120.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  120.00000
   70    71    75    63.00000  120.00000
   70    73    74    35.00000  113.00000
   71    75    76    63.00000  120.00000
   71    75    77    70.00000  120.00000
   75    71    72    35.00000  120.00000
   75    76    58    60.00000  119.52600
   75    77    78    35.00000  113.00000
   76    65    68    63.00000  120.00000
   76    58    59    75.00000  123.78400
   58    56    57    65.00000  118.96000
   77    75    76    70.00000  120.00000
   73    70    71    70.00000  120.00000
   62    57    60    70.00000  124.00000
   62    66    67    37.50000  110.70000
   62    66    39    58.35000  112.70000
   64    62    63    33.00000  107.80000
   66    47    52    70.00000  112.02700
   66    62    63    37.50000  110.70000
   66    62    64    37.50000  110.70000
   66    39    40    37.50000  110.70000
   66    39    43    50.00000  109.50000
   39    33    34    50.00000  109.50000
   39    33    38    70.00000  112.02700
   39    66    67    37.50000  110.70000
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   54    47    52    90.00000  110.39200
   54    47    66    50.00000  109.50000
   45    38    41    60.00000  125.92000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   48    45    46    80.00000  120.40000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    45   0.09700  1.0 1.0
   29    33    38    45   0.15600 -1.0 2.0
   29    33    38    45  -0.50800  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    47   7.00000 -1.0 2.0
   33    38    45    46  -0.64400  1.0 1.0
   33    38    45    46   0.26850 -1.0 2.0
   33    38    45    48   0.25700  1.0 1.0
   33    38    45    48   0.66200 -1.0 2.0
   33    38    45    48   0.04450  1.0 3.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.39000  1.0 1.0
   34    33    38    41  -0.05800 -1.0 2.0
   34    33    38    41  -0.55150  1.0 3.0
   34    33    38    45   0.09700  1.0 1.0
   34    33    38    45   0.15600 -1.0 2.0
   34    33    38    45  -0.50800  1.0 3.0
   34    33    39    66   0.62750  1.0 1.0
   34    33    39    66  -0.30950 -1.0 2.0
   34    33    39    66   0.27300  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    43   3.69350  1.0 1.0
   34    33    39    43  -1.82950 -1.0 2.0
   38    33    39    66   0.34400  1.0 1.0
   38    33    39    66   0.09450 -1.0 2.0
   38    33    39    66   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    47    52  -0.28300  1.0 1.0
   38    41    47    52   0.26700 -1.0 2.0
   38    41    47    52  -0.63300  1.0 3.0
   38    41   -47    66   0.09850  1.0 1.0
   38    41   -47    66   0.15250 -1.0 2.0
   38    41   -47    66  -0.50650  1.0 3.0
   38    41    47    54   0.67800  1.0 1.0
   38    41    47    54   0.47050 -1.0 2.0
   38    41    47    54  -0.62500  1.0 3.0
   38    45    48    49   0.00000  1.0 1.0
   38    45    48    50   0.00000  1.0 1.0
   38    45    48    51   0.00000  1.0 1.0
   41    38    45    46   1.00000 -1.0 2.0
   41    38    45    48  -0.33500  1.0 1.0
   41    38    45    48   1.06600 -1.0 2.0
   41    38    45    48  -0.14000  1.0 3.0
   41    47    52    53   0.09700  1.0 1.0
   41    47    52    53   0.15600 -1.0 2.0
   41    47    52    53  -0.50800  1.0 3.0
   41    47    52    56  -0.28300  1.0 1.0
   41    47    52    56   0.26700 -1.0 2.0
   41    47    52    56  -0.63300  1.0 3.0
   41    47    66    62   0.34400  1.0 1.0
   41    47    66    62   0.09450 -1.0 2.0
   41    47    66    62   0.11100  1.0 3.0
   41    47    66    67   0.15000  1.0 3.0
   41    47    66    39   0.34400  1.0 1.0
   41    47    66    39   0.09450 -1.0 2.0
   41    47    66    39   0.11100  1.0 3.0
   41    47    54    55  -0.07800  1.0 1.0
   41    47    54    55  -0.21500 -1.0 2.0
   41    47    54    55  -0.03150  1.0 3.0
   42    41    47    52   0.09700  1.0 1.0
   42    41    47    52   0.15600 -1.0 2.0
   42    41    47    52  -0.50800  1.0 3.0
   42    41    47    66   0.09700  1.0 1.0
   42    41    47    66   0.15600 -1.0 2.0
   42    41    47    66  -0.50800  1.0 3.0
   42    41    47    54   0.09700  1.0 1.0
   42    41    47    54   0.15600 -1.0 2.0
   42    41    47    54  -0.50800  1.0 3.0
   47    52    56    57   7.00000 -1.0 2.0
   47    52    56    58   7.00000 -1.0 2.0
   47    66   -39    33   0.56750  1.0 1.0
   47    66   -39    33  -0.07550 -1.0 2.0
   47    66   -39    33   0.20000  1.0 3.0
   47    66    39    40   0.15000  1.0 3.0
   47    66    39    43   0.86500  1.0 1.0
   47    66    39    43  -0.17500 -1.0 2.0
   47    66    39    43   0.20800  1.0 3.0
   52    47    66    62   0.34400  1.0 1.0
   52    47    66    62   0.09450 -1.0 2.0
   52    47    66    62   0.11100  1.0 3.0
   52    47    66    67   0.15000  1.0 3.0
   52    47    66    39   0.34400  1.0 1.0
   52    47    66    39   0.09450 -1.0 2.0
   52    47    66    39   0.11100  1.0 3.0
   52    47    54    55  -0.07800  1.0 1.0
   52    47    54    55  -0.21500 -1.0 2.0
   52    47    54    55  -0.03150  1.0 3.0
   52    56    57    60   0.28850  1.0 1.0
   52    56    57    60   2.61350 -1.0 2.0
   52    56    57    60   0.78400  1.0 3.0
   52    56   -57    62  -0.18600  1.0 3.0
   52    56    58    76  -1.65800  1.0 1.0
   52    56    58    76   0.77650 -1.0 2.0
   52    56    58    59   1.00000 -1.0 2.0
   53    52    56    57   7.00000 -1.0 2.0
   53    52    56    58   7.00000 -1.0 2.0
   56    57    60    61   7.00000 -1.0 2.0
   56    57    60    65   7.00000 -1.0 2.0
   56    57    62    63   0.00000  1.0 1.0
   56    57    62    64   0.00000  1.0 1.0
   56    57    62    66   0.98200  1.0 1.0
   56    57    62    66  -0.11900 -1.0 2.0
   56    57    62    66   0.24250  1.0 3.0
   57    56    58    76  -1.65800  1.0 1.0
   57    56    58    76   0.77650 -1.0 2.0
   57    56    58    59   1.00000 -1.0 2.0
   57    60    65    68   0.15800  1.0 1.0
   57    60    65    68   1.85350 -1.0 2.0
   57    60    65    68  -0.48700  1.0 3.0
   57    60   -65    76   0.15800  1.0 1.0
   57    60   -65    76   1.85350 -1.0 2.0
   57    60   -65    76  -0.48700  1.0 3.0
   57    62   -66    47   0.34400  1.0 1.0
   57    62   -66    47   0.09450 -1.0 2.0
   57    62   -66    47   0.11100  1.0 3.0
   57    62    66    67   0.15000  1.0 3.0
   57    62    66    39   0.34400  1.0 1.0
   57    62    66    39   0.09450 -1.0 2.0
   57    62    66    39   0.11100  1.0 3.0
   60    57    62    63   0.00000  1.0 1.0
   60    57    62    64   0.00000  1.0 1.0
   60    57    62    66   0.09850  1.0 1.0
   60    57    62    66   0.15250 -1.0 2.0
   60    57    62    66  -0.50650  1.0 3.0
   60    65    68    69   3.62500 -1.0 2.0
   60    65    68    70   3.62500 -1.0 2.0
   60    65    76    75   3.62500 -1.0 2.0
   60    65    76    58   3.62500 -1.0 2.0
   61    60    65    68   0.56550  1.0 3.0
   61    60    65    76   0.56550  1.0 3.0
   65    68    70    71   3.62500 -1.0 2.0
   65    68    70    73   3.62500 -1.0 2.0
   65    76   -58    56  -0.11500  1.0 1.0
   65    76   -58    56   1.10450 -1.0 2.0
   65    76   -58    56  -0.48050  1.0 3.0
   65    76    58    59   1.05000 -1.0 2.0
   68    65    76    75   3.62500 -1.0 2.0
   68    65    76    58   3.62500 -1.0 2.0
   68    70    71    72   3.62500 -1.0 2.0
   68    70   -71    75   3.62500 -1.0 2.0
   68    70    73    74   0.84100 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    73   3.62500 -1.0 2.0
   70    71    75    76   3.62500 -1.0 2.0
   70    71    75    77   3.62500 -1.0 2.0
   71    70    73    74   0.84100 -1.0 2.0
   71    75   -76    65   3.62500 -1.0 2.0
   71    75    76    58   3.62500 -1.0 2.0
   71    75    77    78   0.84100 -1.0 2.0
   72    71    75    76   3.62500 -1.0 2.0
   72    71    75    77   3.62500 -1.0 2.0
   75    76    58    56  -0.11500  1.0 1.0
   75    76    58    56   1.10450 -1.0 2.0
   75    76    58    56  -0.48050  1.0 3.0
   75    76    58    59   1.05000 -1.0 2.0
   76    65    68    69   3.62500 -1.0 2.0
   76    65   -68    70   3.62500 -1.0 2.0
   76    75    77    78   0.84100 -1.0 2.0
   58    56   -57    60  -0.18600  1.0 3.0
   58    56    57    62   1.08500 -1.0 2.0
   77    75    76    65   3.62500 -1.0 2.0
   77    75    76    58   3.62500 -1.0 2.0
   73    70    71    72   3.62500 -1.0 2.0
   73    70    71    75   3.62500 -1.0 2.0
   62    57    60    61   7.00000 -1.0 2.0
   62    57    60    65   7.00000 -1.0 2.0
   62    66    39    33   0.56750  1.0 1.0
   62    66    39    33  -0.07550 -1.0 2.0
   62    66    39    33   0.20000  1.0 3.0
   62    66    39    40   0.15000  1.0 3.0
   62    66    39    43   0.86500  1.0 1.0
   62    66    39    43  -0.17500 -1.0 2.0
   62    66    39    43   0.20800  1.0 3.0
   63    62    66    47   0.15000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    39   0.15000  1.0 3.0
   64    62    66    47   0.15000  1.0 3.0
   64    62    66    67   0.15000  1.0 3.0
   64    62    66    39   0.15000  1.0 3.0
   66    47    52    53   0.09700  1.0 1.0
   66    47    52    53   0.15600 -1.0 2.0
   66    47    52    53  -0.50800  1.0 3.0
   66    47   -52    56   0.09850  1.0 1.0
   66    47   -52    56   0.15250 -1.0 2.0
   66    47   -52    56  -0.50650  1.0 3.0
   66    47    54    55  -0.11600  1.0 1.0
   66    47    54    55  -0.09450 -1.0 2.0
   66    47    54    55   0.21250  1.0 3.0
   66    39    43    44  -0.11600  1.0 1.0
   66    39    43    44  -0.09450 -1.0 2.0
   66    39    43    44   0.21250  1.0 3.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.15000  1.0 3.0
   67    66    39    43   0.23400  1.0 3.0
   39    33   -38    41   0.09850  1.0 1.0
   39    33   -38    41   0.15250 -1.0 2.0
   39    33   -38    41  -0.50650  1.0 3.0
   39    33    38    45   0.09700  1.0 1.0
   39    33    38    45   0.15600 -1.0 2.0
   39    33    38    45  -0.50800  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   54    47    52    53   0.09700  1.0 1.0
   54    47    52    53   0.15600 -1.0 2.0
   54    47    52    53  -0.50800  1.0 3.0
   54    47    52    56   0.67800  1.0 1.0
   54    47    52    56   0.47050 -1.0 2.0
   54    47    52    56  -0.62500  1.0 3.0
   54    47    66    62   0.86500  1.0 1.0
   54    47    66    62  -0.17500 -1.0 2.0
   54    47    66    62   0.20800  1.0 3.0
   54    47    66    67   0.23400  1.0 3.0
   54    47    66    39   0.86500  1.0 1.0
   54    47    66    39  -0.17500 -1.0 2.0
   54    47    66    39   0.20800  1.0 3.0
   45    38    41    42   7.00000 -1.0 2.0
   45    38    41    47   7.00000 -1.0 2.0
   46    45    48    49   0.00000  1.0 1.0
   46    45    48    50   0.00000  1.0 1.0
   46    45    48    51   0.00000  1.0 1.0
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
   33    45    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   47    53    52    56   1.10000 -1.0 2.0
   57    58    56    52   1.10000 -1.0 2.0
   56    62    57    60   1.10000 -1.0 2.0
   65    61    60    57   1.10000 -1.0 2.0
   68    76    65    60   4.00000 -1.0 2.0
   70    69    68    65   1.10000 -1.0 2.0
   71    73    70    68   4.00000 -1.0 2.0
   75    72    71    70   1.10000 -1.0 2.0
   76    77    75    71   4.00000 -1.0 2.0
   75    58    76    65   4.00000 -1.0 2.0
   56    76    58    59  10.50000 -1.0 2.0
   38    48    45    46  10.50000 -1.0 2.0
END
