* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    154    246     456
    1     0 S   NP   _N1_     1    28.45233    95.72835   -21.39546
    2     1 S   H    _HN1     2     1.02779    89.61240   -74.89562
    3     1 S   H    _H1_     3     1.02959    82.96611    33.61023
    4     1 S   H    _H2_     4     1.02836    37.33216   164.08402
    5     1 S   CT   _CA1     5     1.50098   147.57468   151.08140
    6     5 S   HC   _HA1     6     1.09573   105.26528    67.56221
    7     5 S   CO3  _C1_     7     1.53801   112.35840   -52.72649
    8     7 S   O2Z  _O11     8     1.26360   115.01482   -45.19341
    9     7 S   O2Z  _O12     9     1.26237   114.91840   134.07510
   10     5 S   CT   _CB1    10     1.53100   107.44450  -174.49879
   11    10 S   HC   HB11    11     1.09824   109.40722   -50.81290
   12    10 S   HC   HB12    12     1.09821   110.39057    65.74941
   13    10 S   CT   _CG1    13     1.53007   112.63782  -171.90840
   14    13 S   HC   HG11    14     1.09597   110.43416   -62.33034
   15    13 S   HC   HG12    15     1.09645   110.01721    56.89387
   16    13 S   C    _CD1    16     1.51799   112.30255   177.30499
   17    16 S   O    _OE1    17     1.22720   123.26503    -3.39373
   18    16 S   N    _N2_    18     1.38632   111.62447   176.68188
   19    18 S   H    _HN2    19     1.01589   119.02981     1.46206
   20    18 S   CT1  _CA2    20     1.46163   123.35126  -179.12107
   21    20 S   HC   _HA2    21     1.09745   109.36826   -10.67496
   22    20 S   C    _C2_    22     1.53407   108.52512  -126.30497
   23    22 S   O    _O2_    23     1.23022   122.19677  -146.17319
   24    20 S   CT   _CB2    32     1.53373   111.47034   111.31618
   25    24 S   HC   HB21    33     1.09531   110.11523    55.30449
   26    24 S   HC   HB22    34     1.09513   110.14367   174.29120
   27    22 S   N    _N3_    24     1.38492   113.40885    41.26997
   28    27 S   H    _HN3    25     1.01521   118.94264    -0.63796
   29    24 S   S    _SG2    35     1.82736   111.73987   -66.14402
   30    27 S   CT   _CA3    26     1.45444   123.41492   174.90092
   31    30 S   HC   HA31    27     1.09523   109.23305    24.97669
   32    30 S   HC   HA32    28     1.09495   107.14339   141.99013
   33    29 S   CT   _C20    36     1.86176    99.33827   178.41489
   34    33 S   HC   _H6_    37     1.09664   108.04965    28.72943
   35    30 S   CO3  _C3_    29     1.52922   113.03356   -98.47802
   36    35 S   O2Z  _O31    30     1.26406   115.36197   -45.65755
   37    35 S   O2Z  _O32    31     1.26348   115.00933   135.22865
   38    33 S   CT   _C19    38     1.54982   106.33428   -87.81666
   39    38 S   HC   _H5_    39     1.09648   110.32086    46.56548
   40    38 S   CT   _C18    40     1.53322   113.66636   -75.81269
   41    40 S   HC   _H23    41     1.09666   109.88076  -172.10345
   42    40 S   HC   _H24    42     1.09621   110.06486    70.49357
   43    38 S   OH   _O35    78     1.42717   109.34597   161.57541
   44    43 S   HO   _H25    79     0.97291   107.68201  -175.58629
   45    40 S   CT   _C17    43     1.52452   112.24977   -51.28373
   46    45 S   HC   _H21    44     1.09694   109.39062   175.02937
   47    45 S   HC   _H22    45     1.09592   108.94581   -69.68049
   48    45 S   CT   _C16    46     1.53073   110.94764    54.17812
   49    48 S   HC   _H4_    47     1.09810   109.20487    73.55131
   50    33 S   CT   _C12    48     1.56695   111.08971   147.02485
   51    48 S   NP   _N4_    60     1.51590   109.76830  -167.99662
   52    51 S   H    _H3_    61     1.02898   111.49203   -40.23558
   53    50 S   CA   _C8_    49     1.55603   115.59515   -49.81580
   54    51 S   CT   _C14    62     1.52640   105.68590    79.83414
   55    54 S   HC   _H17    63     1.09437   107.16854   -98.14563
   56    54 S   HC   _H18    64     1.09421   109.30203   143.13750
   57    53 S   CA   _C9_    50     1.40467   122.19345   -31.97172
   58    57 S   HA   _H11    51     1.08458   118.87030    -0.67984
   59    50 S   CT   _C13    65     1.55278   114.68103  -171.35071
   60    59 S   HC   _H15    66     1.09659   113.07923    85.98719
   61    59 S   HC   _H16    67     1.09141   113.25359   -34.47627
   62    57 S   CA   _C10    52     1.40156   121.18311   179.65338
   63    62 S   CA   _C5_    53     1.40611   119.81957     2.25559
   64    62 S   OS   _O34    73     1.37429   124.32345  -178.45820
   65    63 S   CA   _C6_    54     1.39789   119.52867     0.49653
   66    65 S   HA   _H10    55     1.08628   121.26244   178.37791
   67    63 S   OS   _O33    68     1.37336   115.87395   179.83449
   68    64 S   CT   _C11    74     1.42281   117.31974     9.26815
   69    68 S   HC   _H12    75     1.09427   107.72341   174.34868
   70    68 S   HC   _H13    76     1.09528   111.36423    56.52345
   71    68 S   HC   _H14    77     1.09473   110.95724   -68.07976
   72    53 S   CA   _C7_    56     1.41386   119.33253   152.39200
   73    67 S   CT   _C4_    69     1.42216   117.42374   178.47929
   74    73 S   HC   _H7_    70     1.09429   107.74095  -178.57852
   75    73 S   HC   _H8_    71     1.09489   111.08447    63.74493
   76    73 S   HC   _H9_    72     1.09499   111.19528   -60.82788
   77    72 S   CT   _C15    57     1.51010   120.19488     1.45791
   78    77 S   HC   _H19    58     1.09546   111.48732   129.88611
   79    77 S   HC   _H20    59     1.09580   110.41372  -108.74483
  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  10   5   4   3
  20   8   2   1   1  13   7  11   6   5   3   1  11   5   4  16
   7  15  13   8  15   9   5   4  10   4   4   1   1  11  11   6
   7   3   5   3   2   1   1   3   3   2   1   1   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    53    59    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    45    48    49    50    53    57    72    51    54    59    60    61    43    44  
   38    39    40    48    50    53    59    43  
   36    37  
   37  
    0  
   39    40    41    42    45    46    47    48    50    53    59    43    44  
   40    41    42    45    50    43    44  
   41    42    45    46    47    48    49    50    51    43    44  
   42    45    46    47    48    43  
   45    46    47    48    43  
   44    45    50  
    0  
   46    47    48    49    50    53    77    51    52    54    59  
   47    48    49    50    51  
   48    49    50    51  
   49    50    53    57    72    77    78    79    51    52    54    55    56    59    60    61  
   50    53    77    51    52    54    59  
   53    57    58    62    65    72    77    51    52    54    55    56    59    60    61  
   52    54    55    56    59    60    61    53    65    72    77    78    79  
   54    55    56    59    72    77    78    79  
   57    58    62    63    65    66    72    77    78    79    54    59    60    61    64  
   55    56    59    60    61    72    77    78    79  
   56    59    60    61    77  
   59    60    61    77  
   58    62    63    65    72    77    59    67    64    68  
   62    63    72    64  
   60    61    72    77  
   61  
    0  
   63    65    66    72    67    73    64    68    69    70    71  
   65    66    72    77    67    73    74    75    76    64    68  
   68    69    70    71    65    67  
   66    72    77    78    79    67    73  
   72    77    67  
   73    74    75    76    72  
   69    70    71  
   70    71  
   71  
    0  
   77    78    79  
   74    75    76  
   75    76  
   76  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   52   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   64   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   67   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    43   320.000  1.410
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   367.000  1.471
   50    53   317.000  1.510
   50    59   268.000  1.529
   53    57   469.000  1.400
   53    72   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    64   450.000  1.364
   63    65   469.000  1.400
   63    67   450.000  1.364
   65    66   367.000  1.080
   65    72   469.000  1.400
   72    77   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    51   367.000  1.471
   51    52   434.000  1.010
   51    54   367.000  1.471
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   67    73   320.000  1.410
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   64    68   320.000  1.410
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   43    44   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    43    50.00000  109.50000
   33    50    48    58.35000  112.70000
   33    50    53    70.00000  112.17500
   33    50    59    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    45    58.35000  112.70000
   38    43    44    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    58.35000  112.70000
   42    40    41    33.00000  107.80000
   45    40    41    37.50000  110.70000
   45    40    42    37.50000  110.70000
   45    48    49    37.50000  110.70000
   45    48    50    58.35000  112.70000
   45    48    51    80.00000  111.20000
   47    45    46    33.00000  107.80000
   48    45    46    37.50000  110.70000
   48    45    47    37.50000  110.70000
   48    50    53    70.00000  112.17500
   48    50    59    58.35000  112.70000
   48    51    77    75.00000  113.01200
   48    51    52    35.00000  109.50000
   48    51    54    75.00000  113.01200
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    57    70.00000  120.00000
   50    53    72    70.00000  120.00000
   50    59    54    58.35000  112.70000
   50    59    60    37.50000  110.70000
   50    59    61    37.50000  110.70000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   53    72    65    63.00000  120.00000
   53    72    77    70.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    64    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    65    63.00000  120.00000
   62    63    67    70.00000  120.00000
   62    64    68    75.00000  111.00000
   63    65    66    35.00000  120.00000
   63    65    72    63.00000  120.00000
   63    67    73    75.00000  111.00000
   65    72    77    70.00000  120.00000
   72    53    57    63.00000  120.00000
   72    65    66    35.00000  120.00000
   72    77    78    35.00000  109.50000
   72    77    79    35.00000  109.50000
   72    77    51    75.00000  110.83300
   77    51    52    35.00000  109.50000
   77    51    54    75.00000  113.01200
   79    77    78    33.00000  107.80000
   51    48    49    35.00000  109.50000
   51    48    50    80.00000  111.20000
   51    77    78    35.00000  109.50000
   51    77    79    35.00000  109.50000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    59    80.00000  111.20000
   54    51    52    35.00000  109.50000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   56    54    55    33.00000  107.80000
   59    50    53    70.00000  112.17500
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   61    59    60    33.00000  107.80000
   67    63    65    70.00000  120.00000
   67    73    74    35.00000  109.50000
   67    73    75    35.00000  109.50000
   67    73    76    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   64    62    63    70.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    50    48   0.44750  1.0 1.0
   29    33    50    48  -0.17800 -1.0 2.0
   29    33    50    48   0.20200  1.0 3.0
   29    33    50    53   0.56750  1.0 1.0
   29    33    50    53  -0.07550 -1.0 2.0
   29    33    50    53   0.20000  1.0 3.0
   29    33    50    59   0.44750  1.0 1.0
   29    33    50    59  -0.17800 -1.0 2.0
   29    33    50    59   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    45   0.56750  1.0 1.0
   33    38    40    45  -0.07550 -1.0 2.0
   33    38    40    45   0.20000  1.0 3.0
   33    38    43    44  -0.11600  1.0 1.0
   33    38    43    44  -0.09450 -1.0 2.0
   33    38    43    44   0.21250  1.0 3.0
   33    50    53    57   0.04150 -1.0 2.0
   33    50    53    72   0.04150 -1.0 2.0
   33    50    59    54   0.56750  1.0 1.0
   33    50    59    54  -0.07550 -1.0 2.0
   33    50    59    54   0.20000  1.0 3.0
   33    50    59    60   0.15000  1.0 3.0
   33    50    59    61   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.23400  1.0 3.0
   34    33    50    48   0.15000  1.0 3.0
   34    33    50    53   0.43200  1.0 3.0
   34    33    50    59   0.15000  1.0 3.0
   38    33    50    48   0.56750  1.0 1.0
   38    33    50    48  -0.07550 -1.0 2.0
   38    33    50    48   0.20000  1.0 3.0
   38    33    50    53  -0.03700  1.0 1.0
   38    33    50    53   0.37200 -1.0 2.0
   38    33    50    53  -0.47300  1.0 3.0
   38    33    50    59   0.56750  1.0 1.0
   38    33    50    59  -0.07550 -1.0 2.0
   38    33    50    59   0.20000  1.0 3.0
   38    40    45    46   0.15000  1.0 3.0
   38    40    45    47   0.15000  1.0 3.0
   38    40   -45    48   0.56750  1.0 1.0
   38    40   -45    48  -0.07550 -1.0 2.0
   38    40   -45    48   0.20000  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    42   0.15000  1.0 3.0
   39    38    40    45   0.15000  1.0 3.0
   39    38    43    44   0.19450  1.0 3.0
   40    38    43    44  -0.11600  1.0 1.0
   40    38    43    44  -0.09450 -1.0 2.0
   40    38    43    44   0.21250  1.0 3.0
   40    45    48    49   0.15000  1.0 3.0
   40    45    48    50   0.56750  1.0 1.0
   40    45    48    50  -0.07550 -1.0 2.0
   40    45    48    50   0.20000  1.0 3.0
   40    45    48    51   1.36600  1.0 1.0
   40    45    48    51  -0.11450 -1.0 2.0
   40    45    48    51   0.24250  1.0 3.0
   41    40    45    46   0.15000  1.0 3.0
   41    40    45    47   0.15000  1.0 3.0
   41    40    45    48   0.15000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   45    48   -50    33   0.56750  1.0 1.0
   45    48   -50    33  -0.07550 -1.0 2.0
   45    48   -50    33   0.20000  1.0 3.0
   45    48    50    53  -0.03700  1.0 1.0
   45    48    50    53   0.37200 -1.0 2.0
   45    48    50    53  -0.47300  1.0 3.0
   45    48    50    59   0.56750  1.0 1.0
   45    48    50    59  -0.07550 -1.0 2.0
   45    48    50    59   0.20000  1.0 3.0
   45    48    51    77   0.47100  1.0 1.0
   45    48    51    52   0.17350  1.0 3.0
   45    48    51    54   0.47100  1.0 1.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    50   0.15000  1.0 3.0
   46    45    48    51   0.19200  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    50   0.15000  1.0 3.0
   47    45    48    51   0.19200  1.0 3.0
   48    50    53    57   0.04150 -1.0 2.0
   48    50    53    72   0.04150 -1.0 2.0
   48    50   -59    54   0.56750  1.0 1.0
   48    50   -59    54  -0.07550 -1.0 2.0
   48    50   -59    54   0.20000  1.0 3.0
   48    50    59    60   0.15000  1.0 3.0
   48    50    59    61   0.15000  1.0 3.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51   -54    59   0.47100  1.0 1.0
   49    48    50    33   0.15000  1.0 3.0
   49    48    50    53   0.43200  1.0 3.0
   49    48    50    59   0.15000  1.0 3.0
   49    48    51    77   0.15000  1.0 3.0
   49    48    51    52   0.13050  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    43   0.86500  1.0 1.0
   50    33    38    43  -0.17500 -1.0 2.0
   50    33    38    43   0.20800  1.0 3.0
   50    48    51    77   0.47100  1.0 1.0
   50    48    51    52   0.17350  1.0 3.0
   50    48   -51    54   0.47100  1.0 1.0
   50    53    57    58   3.62500 -1.0 2.0
   50    53    57    62   3.62500 -1.0 2.0
   50    53    72    65   3.62500 -1.0 2.0
   50    53   -72    77   3.62500 -1.0 2.0
   53    50    59    54  -0.03700  1.0 1.0
   53    50    59    54   0.37200 -1.0 2.0
   53    50    59    54  -0.47300  1.0 3.0
   53    50    59    60   0.43200  1.0 3.0
   53    50    59    61   0.43200  1.0 3.0
   53    57    62    63   3.62500 -1.0 2.0
   53    57    62    64   3.62500 -1.0 2.0
   53    72    77    78   0.00000  1.0 1.0
   53    72    77    79   0.00000  1.0 1.0
   53    72    77    51  -0.46400 -1.0 2.0
   57    53    72    65   3.62500 -1.0 2.0
   57    53    72    77   3.62500 -1.0 2.0
   57    62   -63    65   3.62500 -1.0 2.0
   57    62    63    67   3.62500 -1.0 2.0
   57    62    64    68   1.63200 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    64   3.62500 -1.0 2.0
   62    63    65    66   3.62500 -1.0 2.0
   62    63    65    72   3.62500 -1.0 2.0
   62    63    67    73   1.63200 -1.0 2.0
   62    64    68    69   0.08050  1.0 3.0
   62    64    68    70   0.08050  1.0 3.0
   62    64    68    71   0.08050  1.0 3.0
   63    62    64    68   1.63200 -1.0 2.0
   63    65   -72    53   3.62500 -1.0 2.0
   63    65    72    77   3.62500 -1.0 2.0
   63    67    73    74   0.08050  1.0 3.0
   63    67    73    75   0.08050  1.0 3.0
   63    67    73    76   0.08050  1.0 3.0
   65    63    67    73   1.63200 -1.0 2.0
   65    72    77    78   0.00000  1.0 1.0
   65    72    77    79   0.00000  1.0 1.0
   65    72    77    51  -0.46400 -1.0 2.0
   66    65    72    53   3.62500 -1.0 2.0
   66    65    72    77   3.62500 -1.0 2.0
   72    53    57    58   3.62500 -1.0 2.0
   72    53   -57    62   3.62500 -1.0 2.0
   72    77   -51    48   0.03550  1.0 1.0
   72    77   -51    48   0.09800 -1.0 2.0
   72    77    51    52   0.17350  1.0 3.0
   72    77    51    54   0.03550  1.0 1.0
   72    77    51    54   0.09800 -1.0 2.0
   77    51    54    55   0.15000  1.0 3.0
   77    51    54    56   0.15000  1.0 3.0
   77    51    54    59   0.47100  1.0 1.0
   78    77    51    48   0.15000  1.0 3.0
   78    77    51    52   0.13050  1.0 3.0
   78    77    51    54   0.15000  1.0 3.0
   79    77    51    48   0.15000  1.0 3.0
   79    77    51    52   0.13050  1.0 3.0
   79    77    51    54   0.15000  1.0 3.0
   51    48    50    33   1.36600  1.0 1.0
   51    48    50    33  -0.11450 -1.0 2.0
   51    48    50    33   0.24250  1.0 3.0
   51    48   -50    53   1.24050  1.0 1.0
   51    48   -50    53   0.48100 -1.0 2.0
   51    48   -50    53   1.08150  1.0 3.0
   51    48   -50    59   1.36600  1.0 1.0
   51    48   -50    59  -0.11450 -1.0 2.0
   51    48   -50    59   0.24250  1.0 3.0
   51    54   -59    50   1.36600  1.0 1.0
   51    54   -59    50  -0.11450 -1.0 2.0
   51    54   -59    50   0.24250  1.0 3.0
   51    54    59    60   0.19200  1.0 3.0
   51    54    59    61   0.19200  1.0 3.0
   52    51    54    55   0.13050  1.0 3.0
   52    51    54    56   0.13050  1.0 3.0
   52    51    54    59   0.17350  1.0 3.0
   55    54    59    50   0.15000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   56    54    59    50   0.15000  1.0 3.0
   56    54    59    60   0.15000  1.0 3.0
   56    54    59    61   0.15000  1.0 3.0
   59    50    53    57   0.04150 -1.0 2.0
   59    50    53    72   0.04150 -1.0 2.0
   67    63    65    66   3.62500 -1.0 2.0
   67    63    65    72   3.62500 -1.0 2.0
   64    62    63    65   3.62500 -1.0 2.0
   64    62    63    67   3.62500 -1.0 2.0
   43    38    40    41   0.23400  1.0 3.0
   43    38    40    42   0.23400  1.0 3.0
   43    38    40    45   0.86500  1.0 1.0
   43    38    40    45  -0.17500 -1.0 2.0
   43    38    40    45   0.20800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   57    72    53    50   4.00000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    64    62    57   4.00000 -1.0 2.0
   65    67    63    62   4.00000 -1.0 2.0
   72    66    65    63   1.10000 -1.0 2.0
   65    77    72    53   4.00000 -1.0 2.0
END
