* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    143    238     429
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02102   105.06026   -31.40603
    3     1 S   H    _H1_     3     1.02036    66.56601    72.76588
    4     1 S   H    _H2_     4     1.02136    46.17526  -133.03517
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.82318    98.09721  -178.14945
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C15    37     1.50087   110.16280    79.99333
   38    33 S   CO4  _C17    69     1.52720   108.23137  -157.77428
   39    38 S   O    _O25    70     1.23467   120.52120    74.35538
   40    33 S   OH   _O29    78     1.42315   110.41793   -42.87743
   41    40 S   HO   _H45    79     0.97096   106.65111   -57.55599
   42    37 S   CO4  _C16    38     1.49627   117.83633    75.05591
   43    42 S   O    _O24    39     1.23054   121.39445  -152.85748
   44    37 S   CMA  _C18    73     1.34218   125.74412  -107.71545
   45    44 S   OM   _O22    74     1.26191   130.11064  -177.30579
   46    42 S   CT   _C21    40     1.52493   116.86562    26.38535
   47    44 S   NE   _N21    75     1.37342   120.09948     2.73624
   48    47 S   H    _H40    76     1.01223   119.31052     0.05234
   49    47 S   H    _H41    77     1.01229   120.31802   179.93439
   50    46 S   CO4  _C14    41     1.52470   113.42522  -103.89666
   51    50 S   O    _O23    42     1.22865   121.68024   -27.55326
   52    46 S   OH   _O28    71     1.42833   105.68830   142.11647
   53    52 S   HO   _H44    72     0.96919   106.36773    59.99240
   54    50 S   CA   _C9_    43     1.48643   118.54079   154.50769
   55    54 S   CA   _C10    44     1.39853   120.47222    -0.66175
   56    54 S   CA   _C13    55     1.40166   119.18905   179.49178
   57    55 S   CA   _C11    45     1.40312   118.95484   178.82764
   58    56 S   OH   _O27    56     1.36797   119.66133     0.55567
   59    58 S   HO   _H43    57     0.96861   109.84646    -0.08623
   60    55 S   CT   _C19    64     1.50539   121.76243     0.92852
   61    60 S   HC   _H34    65     1.09776   108.03546    94.21110
   62    60 S   HC   _H35    66     1.09612   111.13486  -148.77778
   63    57 S   CA   _C7_    46     1.40375   121.38885     1.23162
   64    57 S   CT   _C23    60     1.50312   119.04590  -178.06437
   65    64 S   HC   _H37    61     1.09327   109.81528   -90.64248
   66    64 S   HC   _H38    62     1.09419   110.72593    29.83043
   67    64 S   HC   _H39    63     1.09302   110.72459   148.83720
   68    46 S   CT   _C20    67     1.52910   111.44700    24.51545
   69    68 S   HC   _H36    68     1.10057   109.17710    61.66981
   70    63 S   CA   _C5_    47     1.40464   121.43768   179.55854
   71    70 S   HA   _H32    48     1.08723   121.71358    -0.03956
   72    70 S   CA   _C4_    49     1.39537   120.72560  -179.95154
   73    72 S   HA   _H31    50     1.08590   119.99547   179.89913
   74    72 S   CA   _C6_    51     1.39114   119.98426     0.02798
   75    74 S   HA   _H33    52     1.08703   119.49376   180.00000
   76    74 S   CA   _C12    53     1.39549   120.00436    -0.09065
   77    63 S   CA   _C8_    54     1.41267   119.27694    -0.42567
   78    76 S   OH   _O26    58     1.36609   116.11054  -179.97202
   79    78 S   HO   _H42    59     0.96871   109.99903     0.06853
  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
  14   2   1   1  15  14   5   4   1  13   5   5   3  12   2   1
   1  12   5   5   1  13  15  10  14   4   1   6   3   2  12   5
   2   1   1   1   1   7   4   6   3   5   3   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    68    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    60    68    69    38    39    44    45    47    40    41  
   35    36  
   36  
    0  
   42    43    46    50    68    38    39    52    44    45    47    48    49    40    41  
   39    52    44    40    41    42    46    50    55    60    61    62    68    69  
   40    46    60    68    69  
   41    42    44    68  
    0  
   43    46    50    51    54    60    68    69    52    53    44    45    47  
   46    50    68    52    44  
   45    47    48    49    46  
   47    48    49  
   50    51    54    55    56    60    61    62    68    69    52    53  
   48    49  
   49  
    0  
   51    54    55    57    77    56    58    60    68    69    52    53  
   54    55    56    68    52  
   53    54    60    68    69  
   68  
   55    57    63    76    77    56    58    59    64    60    61    62    68  
   57    63    70    77    56    58    64    65    66    67    60    61    62    68    69  
   58    59    78    60    57    63    70    74    76    77  
   63    70    71    72    76    77    64    65    66    67    60    61    62    68  
   59    63    76    77  
   77  
   61    62    68    69    63    64  
   62    68    69  
   68    69  
   70    71    72    73    74    76    77    78    64    65    66    67  
   65    66    67    70    77  
   66    67  
   67  
    0  
   69  
    0  
   71    72    73    74    75    76    77  
   72    73    74    77  
   73    74    75    76    77    78  
   74    75    76  
   75    76    77    78    79  
   76    77    78  
   77    78    79  
   78    79  
   79  
    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   0.432500   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   45   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   48   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   78   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   79   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    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    38   317.000  1.522
   33    40   320.000  1.410
   37    42   320.000  1.462
   37    44   465.000  1.376
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    50   317.000  1.522
   46    68   268.000  1.529
   46    52   320.000  1.410
   50    51   570.000  1.229
   50    54   310.000  1.470
   54    55   469.000  1.400
   54    56   469.000  1.400
   55    57   469.000  1.400
   55    60   317.000  1.510
   57    63   469.000  1.400
   57    64   317.000  1.510
   63    70   469.000  1.400
   63    77   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    78   450.000  1.364
   77    56   469.000  1.400
   56    58   450.000  1.364
   58    59   553.000  0.945
   78    79   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    68   268.000  1.529
   68    69   340.000  1.090
   68    38   317.000  1.522
   38    39   570.000  1.229
   52    53   553.000  0.945
   44    45   745.000  1.250
   44    47   415.000  1.382
   47    48   434.000  1.010
   47    49   434.000  1.010
   40    41   553.000  0.945
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    38    75.00000  110.18000
   29    33    40    85.00000  114.68000
   33    37    42    65.00000  116.34900
   33    37    44    70.00000  124.00000
   33    38    68    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  123.72100
   37    42    46    65.00000  118.62400
   37    44    45    65.00000  137.10300
   37    44    47    75.00000  114.40000
   42    46    50    75.00000  107.99600
   42    46    68    63.00000  111.10000
   42    46    52    90.00000  109.61100
   46    42    43    80.00000  120.40000
   46    50    51    80.00000  120.40000
   46    50    54    65.00000  115.47100
   46    68    60    58.35000  112.70000
   46    68    69    37.50000  110.70000
   46    68    38    63.00000  111.10000
   46    52    53    55.00000  108.50000
   50    54    55    60.00000  119.52600
   50    54    56    60.00000  119.52600
   54    50    51    75.00000  123.78400
   54    55    57    63.00000  120.00000
   54    55    60    70.00000  120.00000
   54    56    77    63.00000  120.00000
   54    56    58    70.00000  120.00000
   55    57    63    63.00000  120.00000
   55    57    64    70.00000  120.00000
   55    60    61    35.00000  109.50000
   55    60    62    35.00000  109.50000
   55    60    68    70.00000  112.17500
   57    63    70    63.00000  120.00000
   57    63    77    63.00000  120.00000
   57    64    65    35.00000  109.50000
   57    64    66    35.00000  109.50000
   57    64    67    35.00000  109.50000
   63    70    71    35.00000  120.00000
   63    70    72    63.00000  120.00000
   63    77    76    63.00000  120.00000
   63    77    56    63.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    35.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    78    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    56    63.00000  120.00000
   76    78    79    35.00000  113.00000
   77    63    70    63.00000  120.00000
   77    56    58    70.00000  120.00000
   56    54    55    63.00000  120.00000
   56    58    59    35.00000  113.00000
   78    76    77    70.00000  120.00000
   64    57    63    70.00000  120.00000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   60    55    57    70.00000  120.00000
   60    68    69    37.50000  110.70000
   60    68    38    63.00000  111.10000
   62    60    61    33.00000  107.80000
   68    46    50    63.00000  111.10000
   68    60    61    37.50000  110.70000
   68    60    62    37.50000  110.70000
   68    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    68    69    35.00000  109.50000
   52    46    50    90.00000  109.61100
   52    46    68    50.00000  109.50000
   44    37    42    60.00000  125.92000
   44    47    48    50.00000  121.48000
   44    47    49    50.00000  121.48000
   47    44    45   105.00000  113.92000
   49    47    48    35.00000  109.00000
   40    33    37    90.00000  110.39200
   40    33    38    90.00000  109.61100
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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   0.57400  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    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    44   0.42700  1.0 1.0
   29    33    37    44  -0.70350 -1.0 2.0
   29    33    37    44  -0.43150  1.0 3.0
   29    33    38    68   0.65300  1.0 1.0
   29    33    38    68  -0.03850 -1.0 2.0
   29    33    38    68   0.33900  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    46   0.25700  1.0 1.0
   33    37    42    46   0.66200 -1.0 2.0
   33    37    42    46   0.04450  1.0 3.0
   33    37    44    45   7.00000 -1.0 2.0
   33    37    44    47   7.00000 -1.0 2.0
   37    33    38    68   0.65300  1.0 1.0
   37    33    38    68  -0.03850 -1.0 2.0
   37    33    38    68   0.33900  1.0 3.0
   37    33    38    39   0.30150 -1.0 2.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    46    50   0.65300  1.0 1.0
   37    42    46    50  -0.03850 -1.0 2.0
   37    42    46    50   0.33900  1.0 3.0
   37    42   -46    68   0.65300  1.0 1.0
   37    42   -46    68  -0.03850 -1.0 2.0
   37    42   -46    68   0.33900  1.0 3.0
   37    42    46    52   0.65300  1.0 1.0
   37    42    46    52  -0.03850 -1.0 2.0
   37    42    46    52   0.33900  1.0 3.0
   37    44    47    48   1.00000 -1.0 2.0
   37    44    47    49   1.00000 -1.0 2.0
   42    37    44    45   7.00000 -1.0 2.0
   42    37    44    47   7.00000 -1.0 2.0
   42    46    50    51   0.30150 -1.0 2.0
   42    46    50    54   0.65300  1.0 1.0
   42    46    50    54  -0.03850 -1.0 2.0
   42    46    50    54   0.33900  1.0 3.0
   42    46    68    60  -0.95700  1.0 1.0
   42    46    68    60  -0.18200 -1.0 2.0
   42    46    68    60   0.29450  1.0 3.0
   42    46    68    69  -0.11250  1.0 3.0
   42    46    68    38   0.11950  1.0 1.0
   42    46    68    38   0.20300 -1.0 2.0
   42    46    68    38  -0.70800  1.0 3.0
   42    46    52    53   0.91850  1.0 1.0
   42    46    52    53   0.57950  1.0 3.0
   43    42    46    50   0.30150 -1.0 2.0
   43    42    46    68   0.30150 -1.0 2.0
   43    42    46    52   0.30150 -1.0 2.0
   46    50    54    55   2.26350  1.0 1.0
   46    50    54    55   0.76750 -1.0 2.0
   46    50    54    55   0.22500  1.0 3.0
   46    50    54    56   2.26350  1.0 1.0
   46    50    54    56   0.76750 -1.0 2.0
   46    50    54    56   0.22500  1.0 3.0
   46    68   -38    33   0.60050  1.0 1.0
   46    68   -38    33   0.05600 -1.0 2.0
   46    68   -38    33   0.26150  1.0 3.0
   46    68    38    39   0.30150 -1.0 2.0
   50    46    68    60  -0.95700  1.0 1.0
   50    46    68    60  -0.18200 -1.0 2.0
   50    46    68    60   0.29450  1.0 3.0
   50    46    68    69  -0.11250  1.0 3.0
   50    46    68    38   0.11950  1.0 1.0
   50    46    68    38   0.20300 -1.0 2.0
   50    46    68    38  -0.70800  1.0 3.0
   50    46    52    53   0.91850  1.0 1.0
   50    46    52    53   0.57950  1.0 3.0
   50    54    55    57   3.62500 -1.0 2.0
   50    54   -55    60   3.62500 -1.0 2.0
   50    54    56    77   3.62500 -1.0 2.0
   50    54    56    58   3.62500 -1.0 2.0
   51    50    54    55   1.05000 -1.0 2.0
   51    50    54    56   1.05000 -1.0 2.0
   54    55    57    63   3.62500 -1.0 2.0
   54    55    57    64   3.62500 -1.0 2.0
   54    55    60    61   0.00000  1.0 1.0
   54    55    60    62   0.00000  1.0 1.0
   54    55    60    68   0.04150 -1.0 2.0
   54    56    58    59   0.84100 -1.0 2.0
   55    54    56    77   3.62500 -1.0 2.0
   55    54    56    58   3.62500 -1.0 2.0
   55    57    63    70   3.62500 -1.0 2.0
   55    57   -63    77   3.62500 -1.0 2.0
   55    57    64    65   0.00000  1.0 1.0
   55    57    64    66   0.00000  1.0 1.0
   55    57    64    67   0.00000  1.0 1.0
   55    60   -68    46  -0.03700  1.0 1.0
   55    60   -68    46   0.37200 -1.0 2.0
   55    60   -68    46  -0.47300  1.0 3.0
   55    60    68    69   0.43200  1.0 3.0
   55    60    68    38   0.56750  1.0 1.0
   55    60    68    38  -0.07550 -1.0 2.0
   55    60    68    38   0.20000  1.0 3.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    68   0.04150 -1.0 2.0
   57    63    70    71   3.62500 -1.0 2.0
   57    63    70    72   3.62500 -1.0 2.0
   57    63    77    76   3.62500 -1.0 2.0
   57    63    77    56   3.62500 -1.0 2.0
   63    57    64    65   0.00000  1.0 1.0
   63    57    64    66   0.00000  1.0 1.0
   63    57    64    67   0.00000  1.0 1.0
   63    70    72    73   3.62500 -1.0 2.0
   63    70    72    74   3.62500 -1.0 2.0
   63    77   -56    54   3.62500 -1.0 2.0
   63    77    56    58   3.62500 -1.0 2.0
   70    63    77    76   3.62500 -1.0 2.0
   70    63    77    56   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72   -74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   72    74    76    78   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   74    76   -77    63   3.62500 -1.0 2.0
   74    76    77    56   3.62500 -1.0 2.0
   74    76    78    79   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    78   3.62500 -1.0 2.0
   76    77    56    54   3.62500 -1.0 2.0
   76    77    56    58   3.62500 -1.0 2.0
   77    63    70    71   3.62500 -1.0 2.0
   77    63   -70    72   3.62500 -1.0 2.0
   77    76    78    79   0.84100 -1.0 2.0
   77    56    58    59   0.84100 -1.0 2.0
   56    54   -55    57   3.62500 -1.0 2.0
   56    54    55    60   3.62500 -1.0 2.0
   78    76    77    63   3.62500 -1.0 2.0
   78    76    77    56   3.62500 -1.0 2.0
   64    57    63    70   3.62500 -1.0 2.0
   64    57    63    77   3.62500 -1.0 2.0
   60    55    57    63   3.62500 -1.0 2.0
   60    55    57    64   3.62500 -1.0 2.0
   60    68    38    33   0.60050  1.0 1.0
   60    68    38    33   0.05600 -1.0 2.0
   60    68    38    33   0.26150  1.0 3.0
   60    68    38    39   0.30150 -1.0 2.0
   61    60    68    46   0.15000  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    38  -0.11250  1.0 3.0
   62    60    68    46   0.15000  1.0 3.0
   62    60    68    69   0.15000  1.0 3.0
   62    60    68    38  -0.11250  1.0 3.0
   68    46    50    51   0.30150 -1.0 2.0
   68    46   -50    54   0.05850 -1.0 2.0
   68    46   -50    54   0.17250  1.0 3.0
   68    46    52    53  -0.11600  1.0 1.0
   68    46    52    53  -0.09450 -1.0 2.0
   68    46    52    53   0.21250  1.0 3.0
   69    68    38    33   0.00000  1.0 1.0
   69    68    38    39   0.00000  1.0 1.0
   38    33   -37    42   0.09700  1.0 1.0
   38    33   -37    42   0.15600 -1.0 2.0
   38    33   -37    42  -0.50800  1.0 3.0
   38    33    37    44  -0.51250  1.0 1.0
   38    33    37    44  -0.88800 -1.0 2.0
   38    33    37    44   0.08850  1.0 3.0
   38    33    40    41   0.91850  1.0 1.0
   38    33    40    41   0.57950  1.0 3.0
   52    46    50    51   0.30150 -1.0 2.0
   52    46    50    54   0.65300  1.0 1.0
   52    46    50    54  -0.03850 -1.0 2.0
   52    46    50    54   0.33900  1.0 3.0
   52    46    68    60   0.86500  1.0 1.0
   52    46    68    60  -0.17500 -1.0 2.0
   52    46    68    60   0.20800  1.0 3.0
   52    46    68    69   0.23400  1.0 3.0
   52    46    68    38  -0.09450  1.0 1.0
   52    46    68    38  -1.12950 -1.0 2.0
   52    46    68    38   0.54000  1.0 3.0
   44    37    42    43   1.00000 -1.0 2.0
   44    37    42    46  -0.33500  1.0 1.0
   44    37    42    46   1.06600 -1.0 2.0
   44    37    42    46  -0.14000  1.0 3.0
   45    44    47    48   1.00000 -1.0 2.0
   45    44    47    49   1.00000 -1.0 2.0
   40    33    37    42   0.09700  1.0 1.0
   40    33    37    42   0.15600 -1.0 2.0
   40    33    37    42  -0.50800  1.0 3.0
   40    33    37    44   0.67800  1.0 1.0
   40    33    37    44   0.47050 -1.0 2.0
   40    33    37    44  -0.62500  1.0 3.0
   40    33    38    68   0.55300  1.0 1.0
   40    33    38    68   1.25850 -1.0 2.0
   40    33    38    68  -0.23600  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
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    42    37    44   1.10000 -1.0 2.0
   37    46    42    43  10.50000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   55    56    54    50   4.00000 -1.0 2.0
   57    60    55    54   4.00000 -1.0 2.0
   63    64    57    55   4.00000 -1.0 2.0
   70    77    63    57   4.00000 -1.0 2.0
   72    71    70    63   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   77    78    76    74   4.00000 -1.0 2.0
   76    56    77    63   4.00000 -1.0 2.0
   77    58    56    54   4.00000 -1.0 2.0
   33    68    38    39  10.50000 -1.0 2.0
   47    45    44    37   1.10000 -1.0 2.0
   49    44    47    48   1.00000 -1.0 2.0
END
