* 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     1.02140    76.28270   -88.77228
    3     1 S   H    _H1_     3     1.02078   100.97349    18.01230
    4     1 S   H    _H2_     4     1.02109    38.43410   124.36331
    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     1.08641   109.88695   179.08657
   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     1.82553    97.99928   161.84137
   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     1.50167   110.05111    79.98494
   38    33 S   CO4  _C17    69     1.52159   107.48606  -155.02895
   39    38 S   O    _O24    70     1.23533   120.40386    65.38439
   40    33 S   OH   _O29    78     1.42557   111.33978   -42.08837
   41    40 S   HO   _H45    79     0.97000   106.54421   -57.88085
   42    37 S   CMA  _C16    38     1.35602   125.50529    99.48402
   43    42 S   OM   _O22    39     1.26720   130.47700  -179.14637
   44    37 S   C    _C18    73     1.48292   116.41787   -79.49422
   45    44 S   O    _O25    74     1.22019   120.97737   -60.94992
   46    42 S   CT   _C21    40     1.55073   117.09589     0.51926
   47    44 S   N    _N21    75     1.36747   112.79270   119.12638
   48    47 S   H    _H40    76     1.01442   118.34093    -0.03956
   49    47 S   H    _H41    77     1.01523   123.39066   180.00000
   50    46 S   CO4  _C14    41     1.53936   110.01772   -88.49602
   51    50 S   O    _O23    42     1.22906   122.38358   -31.02368
   52    46 S   OH   _O28    71     1.43915   110.49080   156.37755
   53    52 S   HO   _H44    72     0.96658   105.73056    58.39451
   54    50 S   CA   _C8_    43     1.48895   118.43492   151.66064
   55    54 S   CA   _C9_    44     1.39944   120.79839    -0.58751
   56    55 S   CA   _C10    45     1.40348   119.00664   178.56196
   57    55 S   CT   _C19    64     1.50517   121.97487     0.45842
   58    57 S   HC   _H34    65     1.09582   108.43796    94.91660
   59    57 S   HC   _H35    66     1.09491   111.39395  -147.53974
   60    56 S   CA   _C6_    46     1.40442   121.41998     1.27165
   61    56 S   CT   _C23    60     1.50247   115.36244  -177.25876
   62    61 S   HC   _H37    61     1.09376   109.78846   -91.47386
   63    61 S   HC   _H38    62     1.09324   110.78615    29.02668
   64    61 S   HC   _H39    63     1.09399   110.75011   148.07350
   65    46 S   CT   _C20    67     1.53999   111.81558    36.37866
   66    65 S   HC   _H36    68     1.10231   109.32496    66.16865
   67    60 S   CA   _C7_    47     1.41191   119.23772    -0.46688
   68    67 S   CA   _C11    48     1.40495   119.21594   179.89721
   69    54 S   CA   _C12    57     1.40195   119.03539   179.35048
   70    68 S   CA   _C4_    49     1.39452   120.74155     0.07913
   71    70 S   HA   _H32    50     1.08695   120.43929   180.00000
   72    68 S   OH   _O26    55     1.36580   123.15065   179.98022
   73    72 S   HO   _H42    56     0.96921   110.02564  -179.96044
   74    69 S   OH   _O27    58     1.36830   119.65968     0.62994
   75    74 S   HO   _H43    59     0.96739   109.88576     0.10653
   76    70 S   CA   _C5_    51     1.39093   120.05700    -0.02798
   77    76 S   HA   _H33    52     1.08674   118.47253  -179.91377
   78    60 S   CA   _C13    53     1.40466   121.41332   179.54243
   79    78 S   Cl   CL31    54     1.73942   127.01301    -0.55708
  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  15   7   3   2  14   5   2   1   1
   1   1  11   9   5   7   4   2   1   1   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    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    65    38    39    44    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    46    57    65    66    38    39    44    45    47    40    41  
   35    36  
   36  
    0  
   42    43    46    50    65    38    39    52    44    45    47    48    49    40    41  
   39    52    44    40    41    42    46    50    55    57    58    59    65    66  
   40    46    57    65    66  
   41    42    44    65  
    0  
   43    46    50    51    54    57    65    66    52    53    44    45    47  
   46    50    65    52    44  
   45    47    48    49    46  
   47    48    49  
   50    51    54    55    69    57    58    59    65    66    52    53  
   48    49  
   49  
    0  
   51    54    55    56    67    69    74    57    65    66    52    53  
   54    55    69    65    52  
   53    54    57    65    66  
   65  
   55    56    60    67    68    69    74    75    61    57    58    59    65  
   56    60    67    78    69    74    61    62    63    64    57    58    59    65    66  
   60    67    68    76    78    79    69    61    62    63    64    57    58    59    65  
   58    59    65    66    60    61    69  
   59    65    66  
   65    66  
   67    68    70    76    77    78    79    72    69    74    61    62    63    64  
   62    63    64    67    78  
   63    64  
   64  
    0  
   66  
    0  
   68    70    71    76    78    79    72    73    69    74    75  
   70    71    76    77    78    72    73    69    74  
   74    75    70    72    78  
   71    76    77    78    79    72    73  
   76    77    78    72  
   73    76  
    0  
   75  
    0  
   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  -0.657900   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   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.500000   1.8100   1.6000   0.001000000  -1.480495490
   46   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.2500   0.1700  -0.760000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.380000   1.5900   1.4000   0.030040813  -0.651083722
   49   0.5000   0.0300   0.380000   1.5900   1.4000   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  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   57   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   61   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   78   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   79   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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   465.000  1.376
   37    44   410.000  1.444
   42    43   745.000  1.250
   42    46   270.000  1.512
   46    50   317.000  1.522
   46    65   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    69   469.000  1.400
   55    56   469.000  1.400
   55    57   317.000  1.510
   56    60   469.000  1.400
   56    61   317.000  1.510
   60    67   469.000  1.400
   60    78   469.000  1.400
   67    68   469.000  1.400
   67    69   469.000  1.400
   68    70   469.000  1.400
   68    72   450.000  1.364
   70    71   367.000  1.080
   70    76   469.000  1.400
   76    77   367.000  1.080
   76    78   469.000  1.400
   78    79   300.000  1.725
   72    73   553.000  0.945
   69    74   450.000  1.364
   74    75   553.000  0.945
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    38   317.000  1.522
   38    39   570.000  1.229
   52    53   553.000  0.945
   44    45   570.000  1.229
   44    47   490.000  1.335
   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    70.00000  124.00000
   33    37    44    70.00000  119.70000
   33    38    65    70.00000  116.00000
   33    38    39    80.00000  120.40000
   33    40    41    55.00000  108.50000
   37    42    43    65.00000  137.10300
   37    42    46    65.00000  122.18000
   37    44    45    80.00000  125.30000
   37    44    47    80.00000  111.56200
   42    46    50    70.00000  109.06800
   42    46    65    70.00000  112.02700
   42    46    52    90.00000  110.39200
   46    42    43    85.00000  112.85300
   46    50    51    80.00000  120.40000
   46    50    54    65.00000  115.47100
   46    65    57    58.35000  112.70000
   46    65    66    37.50000  110.70000
   46    65    38    63.00000  111.10000
   46    52    53    55.00000  108.50000
   50    54    55    60.00000  119.52600
   50    54    69    60.00000  119.52600
   54    50    51    75.00000  123.78400
   54    55    56    63.00000  120.00000
   54    55    57    70.00000  120.00000
   54    69    67    63.00000  120.00000
   54    69    74    70.00000  120.00000
   55    56    60    63.00000  120.00000
   55    56    61    70.00000  120.00000
   55    57    58    35.00000  109.50000
   55    57    59    35.00000  109.50000
   55    57    65    70.00000  112.17500
   56    60    67    63.00000  120.00000
   56    60    78    63.00000  120.00000
   56    61    62    35.00000  109.50000
   56    61    63    35.00000  109.50000
   56    61    64    35.00000  109.50000
   60    67    68    63.00000  120.00000
   60    67    69    63.00000  120.00000
   60    78    76    63.00000  120.00000
   60    78    79    75.00000  120.00000
   67    68    70    63.00000  120.00000
   67    68    72    70.00000  120.00000
   67    69    74    70.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    76    63.00000  120.00000
   68    72    73    35.00000  113.00000
   70    76    77    35.00000  120.00000
   70    76    78    63.00000  120.00000
   76    70    71    35.00000  120.00000
   76    78    79    75.00000  120.00000
   78    60    67    63.00000  120.00000
   78    76    77    35.00000  120.00000
   72    68    70    70.00000  120.00000
   69    54    55    63.00000  120.00000
   69    67    68    63.00000  120.00000
   69    74    75    35.00000  113.00000
   61    56    60    70.00000  120.00000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   57    55    56    70.00000  120.00000
   57    65    66    37.50000  110.70000
   57    65    38    63.00000  111.10000
   59    57    58    33.00000  107.80000
   65    46    50    63.00000  111.10000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    38    39    80.00000  120.40000
   38    33    37    70.00000  109.06800
   38    65    66    35.00000  109.50000
   52    46    50    90.00000  109.61100
   52    46    65    50.00000  109.50000
   44    37    42    60.00000  120.04000
   44    47    48    35.00000  119.80000
   44    47    49    35.00000  119.80000
   47    44    45    80.00000  122.90000
   49    47    48    35.00000  120.00000
   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   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    37    44   0.09700  1.0 1.0
   29    33    37    44   0.15600 -1.0 2.0
   29    33    37    44  -0.50800  1.0 3.0
   29    33    38    65   0.65300  1.0 1.0
   29    33    38    65  -0.03850 -1.0 2.0
   29    33    38    65   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   7.00000 -1.0 2.0
   33    37    42    46   7.00000 -1.0 2.0
   33    37    44    45  -0.64400  1.0 1.0
   33    37    44    45   0.26850 -1.0 2.0
   33    37    44    47   1.59650  1.0 1.0
   33    37    44    47   0.42750 -1.0 2.0
   33    37    44    47  -0.48350  1.0 3.0
   37    33    38    65   0.65300  1.0 1.0
   37    33    38    65  -0.03850 -1.0 2.0
   37    33    38    65   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  -0.51250  1.0 1.0
   37    42    46    50  -0.88800 -1.0 2.0
   37    42    46    50   0.08850  1.0 3.0
   37    42   -46    65   0.09850  1.0 1.0
   37    42   -46    65   0.15250 -1.0 2.0
   37    42   -46    65  -0.50650  1.0 3.0
   37    42    46    52   0.67800  1.0 1.0
   37    42    46    52   0.47050 -1.0 2.0
   37    42    46    52  -0.62500  1.0 3.0
   37    44    47    48   2.56700 -1.0 2.0
   37    44    47    49   2.56700 -1.0 2.0
   42    37    44    45   1.00000 -1.0 2.0
   42    37    44    47   0.49500  1.0 1.0
   42    37    44    47   1.31600 -1.0 2.0
   42    37    44    47  -0.02300  1.0 3.0
   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    65    57   0.34400  1.0 1.0
   42    46    65    57   0.09450 -1.0 2.0
   42    46    65    57   0.11100  1.0 3.0
   42    46    65    66   0.15000  1.0 3.0
   42    46    65    38  -0.98800  1.0 1.0
   42    46    65    38   0.48800 -1.0 2.0
   42    46    65    38   0.76800  1.0 3.0
   42    46    52    53  -0.07800  1.0 1.0
   42    46    52    53  -0.21500 -1.0 2.0
   42    46    52    53  -0.03150  1.0 3.0
   43    42    46    50   0.09700  1.0 1.0
   43    42    46    50   0.15600 -1.0 2.0
   43    42    46    50  -0.50800  1.0 3.0
   43    42    46    65   0.09700  1.0 1.0
   43    42    46    65   0.15600 -1.0 2.0
   43    42    46    65  -0.50800  1.0 3.0
   43    42    46    52   0.09700  1.0 1.0
   43    42    46    52   0.15600 -1.0 2.0
   43    42    46    52  -0.50800  1.0 3.0
   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    69   2.26350  1.0 1.0
   46    50    54    69   0.76750 -1.0 2.0
   46    50    54    69   0.22500  1.0 3.0
   46    65   -38    33   0.60050  1.0 1.0
   46    65   -38    33   0.05600 -1.0 2.0
   46    65   -38    33   0.26150  1.0 3.0
   46    65    38    39   0.30150 -1.0 2.0
   50    46    65    57  -0.95700  1.0 1.0
   50    46    65    57  -0.18200 -1.0 2.0
   50    46    65    57   0.29450  1.0 3.0
   50    46    65    66  -0.11250  1.0 3.0
   50    46    65    38   0.11950  1.0 1.0
   50    46    65    38   0.20300 -1.0 2.0
   50    46    65    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    56   3.62500 -1.0 2.0
   50    54   -55    57   3.62500 -1.0 2.0
   50    54    69    67   3.62500 -1.0 2.0
   50    54    69    74   3.62500 -1.0 2.0
   51    50    54    55   1.05000 -1.0 2.0
   51    50    54    69   1.05000 -1.0 2.0
   54    55    56    60   3.62500 -1.0 2.0
   54    55    56    61   3.62500 -1.0 2.0
   54    55    57    58   0.00000  1.0 1.0
   54    55    57    59   0.00000  1.0 1.0
   54    55    57    65   0.04150 -1.0 2.0
   54    69    74    75   0.84100 -1.0 2.0
   55    54    69    67   3.62500 -1.0 2.0
   55    54    69    74   3.62500 -1.0 2.0
   55    56   -60    67   3.62500 -1.0 2.0
   55    56    60    78   3.62500 -1.0 2.0
   55    56    61    62   0.00000  1.0 1.0
   55    56    61    63   0.00000  1.0 1.0
   55    56    61    64   0.00000  1.0 1.0
   55    57   -65    46  -0.03700  1.0 1.0
   55    57   -65    46   0.37200 -1.0 2.0
   55    57   -65    46  -0.47300  1.0 3.0
   55    57    65    66   0.43200  1.0 3.0
   55    57    65    38   0.56750  1.0 1.0
   55    57    65    38  -0.07550 -1.0 2.0
   55    57    65    38   0.20000  1.0 3.0
   56    55    57    58   0.00000  1.0 1.0
   56    55    57    59   0.00000  1.0 1.0
   56    55    57    65   0.04150 -1.0 2.0
   56    60    67    68   3.62500 -1.0 2.0
   56    60    67    69   3.62500 -1.0 2.0
   56    60    78    76   3.62500 -1.0 2.0
   56    60    78    79   3.62500 -1.0 2.0
   60    56    61    62   0.00000  1.0 1.0
   60    56    61    63   0.00000  1.0 1.0
   60    56    61    64   0.00000  1.0 1.0
   60    67    68    70   3.62500 -1.0 2.0
   60    67    68    72   3.62500 -1.0 2.0
   60    67   -69    54   3.62500 -1.0 2.0
   60    67    69    74   3.62500 -1.0 2.0
   67    60    78    76   3.62500 -1.0 2.0
   67    60    78    79   3.62500 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68   -70    76   3.62500 -1.0 2.0
   67    68    72    73   0.84100 -1.0 2.0
   67    69    74    75   0.84100 -1.0 2.0
   68    67    69    54   3.62500 -1.0 2.0
   68    67    69    74   3.62500 -1.0 2.0
   68    70    76    77   3.62500 -1.0 2.0
   68    70    76    78   3.62500 -1.0 2.0
   70    68    72    73   0.84100 -1.0 2.0
   70    76   -78    60   3.62500 -1.0 2.0
   70    76    78    79   3.62500 -1.0 2.0
   71    70    76    77   3.62500 -1.0 2.0
   71    70    76    78   3.62500 -1.0 2.0
   77    76    78    60   3.62500 -1.0 2.0
   77    76    78    79   3.62500 -1.0 2.0
   78    60   -67    68   3.62500 -1.0 2.0
   78    60    67    69   3.62500 -1.0 2.0
   72    68    70    71   3.62500 -1.0 2.0
   72    68    70    76   3.62500 -1.0 2.0
   69    54   -55    56   3.62500 -1.0 2.0
   69    54    55    57   3.62500 -1.0 2.0
   69    67    68    70   3.62500 -1.0 2.0
   69    67    68    72   3.62500 -1.0 2.0
   61    56    60    67   3.62500 -1.0 2.0
   61    56    60    78   3.62500 -1.0 2.0
   57    55    56    60   3.62500 -1.0 2.0
   57    55    56    61   3.62500 -1.0 2.0
   57    65    38    33   0.60050  1.0 1.0
   57    65    38    33   0.05600 -1.0 2.0
   57    65    38    33   0.26150  1.0 3.0
   57    65    38    39   0.30150 -1.0 2.0
   58    57    65    46   0.15000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    38  -0.11250  1.0 3.0
   59    57    65    46   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    38  -0.11250  1.0 3.0
   65    46    50    51   0.30150 -1.0 2.0
   65    46   -50    54   0.05850 -1.0 2.0
   65    46   -50    54   0.17250  1.0 3.0
   65    46    52    53  -0.11600  1.0 1.0
   65    46    52    53  -0.09450 -1.0 2.0
   65    46    52    53   0.21250  1.0 3.0
   66    65    38    33   0.00000  1.0 1.0
   66    65    38    39   0.00000  1.0 1.0
   38    33   -37    42  -0.51250  1.0 1.0
   38    33   -37    42  -0.88800 -1.0 2.0
   38    33   -37    42   0.08850  1.0 3.0
   38    33    37    44   0.09700  1.0 1.0
   38    33    37    44   0.15600 -1.0 2.0
   38    33    37    44  -0.50800  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    65    57   0.86500  1.0 1.0
   52    46    65    57  -0.17500 -1.0 2.0
   52    46    65    57   0.20800  1.0 3.0
   52    46    65    66   0.23400  1.0 3.0
   52    46    65    38  -0.09450  1.0 1.0
   52    46    65    38  -1.12950 -1.0 2.0
   52    46    65    38   0.54000  1.0 3.0
   44    37    42    43   7.00000 -1.0 2.0
   44    37    42    46   7.00000 -1.0 2.0
   45    44    47    48   2.45000 -1.0 2.0
   45    44    47    49   2.45000 -1.0 2.0
   40    33    37    42   0.67800  1.0 1.0
   40    33    37    42   0.47050 -1.0 2.0
   40    33    37    42  -0.62500  1.0 3.0
   40    33    37    44   0.09700  1.0 1.0
   40    33    37    44   0.15600 -1.0 2.0
   40    33    37    44  -0.50800  1.0 3.0
   40    33    38    65   0.55300  1.0 1.0
   40    33    38    65   1.25850 -1.0 2.0
   40    33    38    65  -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    44    37    42   1.10000 -1.0 2.0
   46    43    42    37   1.10000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
   55    69    54    50   4.00000 -1.0 2.0
   56    57    55    54   4.00000 -1.0 2.0
   60    61    56    55   4.00000 -1.0 2.0
   67    78    60    56   4.00000 -1.0 2.0
   68    69    67    60   4.00000 -1.0 2.0
   70    72    68    67   4.00000 -1.0 2.0
   76    71    70    68   1.10000 -1.0 2.0
   78    77    76    70   1.10000 -1.0 2.0
   76    79    78    60   4.00000 -1.0 2.0
   67    74    69    54   4.00000 -1.0 2.0
   33    65    38    39  10.50000 -1.0 2.0
   37    47    44    45  10.50000 -1.0 2.0
   49    44    47    48   1.00000 -1.0 2.0
END
