* LIGAND DATABASE FILE (OPLS2005)
*
001      79    81    145    220     418
    1     0 S   NP   _N1_     1    28.71622    96.17393   -20.93492
    2     1 S   H    _HN1     2     1.02770    92.21281  -104.96413
    3     1 S   H    _H1_     3     1.02952    81.60422     3.31641
    4     1 S   H    _H2_     4     1.02835    36.58660   137.40407
    5     1 S   CT   _CA1     5     1.50108   146.04953   117.61023
    6     5 S   HC   _HA1     6     1.09554   105.23478    71.62120
    7     5 S   CO3  _C1_     7     1.53878   112.40291   -48.74925
    8     7 S   O2Z  _O11     8     1.26397   114.94122   -40.89450
    9     7 S   O2Z  _O12     9     1.26213   115.06094   138.32899
   10     5 S   CT   _CB1    10     1.53159   107.47185  -170.16977
   11    10 S   HC   HB11    11     1.09815   109.68849   -47.64504
   12    10 S   HC   HB12    12     1.09806   110.41299    69.16178
   13    10 S   CT   _CG1    13     1.52862   112.29842  -168.51384
   14    13 S   HC   HG11    14     1.09577   110.56038   -60.58335
   15    13 S   HC   HG12    15     1.09565   109.65605    58.62059
   16    13 S   C    _CD1    16     1.51713   112.76535   178.74026
   17    16 S   O    _OE1    17     1.22665   123.44359    -2.50632
   18    16 S   N    _N2_    18     1.38522   111.24684   177.70492
   19    18 S   H    _HN2    19     1.01483   118.91743     1.53646
   20    18 S   CT1  _CA2    20     1.46151   123.95435  -179.06875
   21    20 S   HC   _HA2    21     1.09675   109.60457    -3.58632
   22    20 S   C    _C2_    22     1.53529   108.19543  -119.85086
   23    22 S   O    _O2_    23     1.23037   122.20527  -147.50181
   24    20 S   CT   _CB2    32     1.53298   110.94955   118.73008
   25    24 S   HC   HB21    33     1.09301   108.73611    57.97921
   26    24 S   HC   HB22    34     1.09487   110.81167   176.49446
   27    22 S   N    _N3_    24     1.38502   113.65915    39.58649
   28    27 S   H    _HN3    25     1.01483   118.93817    -0.03956
   29    24 S   S    _SG2    35     1.82822   112.07193   -62.85380
   30    27 S   CT   _CA3    26     1.45383   123.32593   176.05345
   31    30 S   HC   HA31    27     1.09535   109.06441    28.01379
   32    30 S   HC   HA32    28     1.09479   107.16980   144.96557
   33    29 S   CT   _C5_    36     1.83675    99.71885   151.75614
   34    33 S   HC   _H3_    37     1.09307   106.62956   -47.18403
   35    30 S   CO3  _C3_    29     1.52875   113.25486   -95.49525
   36    35 S   O2Z  _O31    30     1.26393   115.42985   -44.38403
   37    35 S   O2Z  _O32    31     1.26357   114.94729   136.67515
   38    33 S   CM   _C6_    38     1.53148   111.17191    74.54480
   39    33 S   CT   _C4_    76     1.53162   108.76526  -160.08018
   40    39 S   HC   _H5_    77     1.09575   112.71880   -57.88703
   41    39 S   HC   _H6_    78     1.09609   110.50626  -178.57371
   42    39 S   HC   _H7_    79     1.09644   110.83838    62.81193
   43    38 S   CMA  _C7_    39     1.36876   123.11550  -106.38873
   44    43 S   OM   _O33    40     1.26764   125.25420  -179.47251
   45    38 S   CT   _C22    72     1.52112   115.09550    75.08692
   46    45 S   HC   _H20    73     1.09448   110.84932   -50.72781
   47    45 S   HC   _H21    74     1.09422   113.50069  -170.25535
   48    45 S   HC   _H22    75     1.09474   110.29089    69.52578
   49    43 S   OS   _O34    41     1.40912   112.13736     4.73152
   50    49 S   CT   _C8_    42     1.44567   120.84094  -124.89953
   51    50 S   CT   _C11    43     1.56020   105.33661   169.33685
   52    51 S   HC   _H4_    44     1.10042   109.07181   179.31987
   53    50 S   CT   _C9_    64     1.53844   111.82250   -73.37719
   54    53 S   HC   _H8_    65     1.09436   111.85691    75.75060
   55    53 S   HC   _H9_    66     1.09529   111.38968   -43.78082
   56    53 S   HC   _H10    67     1.09566   111.24463  -165.12622
   57    50 S   CT   _C10    68     1.53898   111.51015    51.06676
   58    57 S   HC   _H11    69     1.09532   111.52716   -69.06590
   59    57 S   HC   _H12    70     1.09534   111.45716    49.76522
   60    57 S   HC   _H13    71     1.09529   111.21433   171.01303
   61    51 S   CT   _C12    45     1.54506   114.30676    57.12593
   62    61 S   HC   _H14    46     1.09381   111.27998    97.25739
   63    61 S   HC   _H15    47     1.09410   113.18048   -26.60130
   64    51 S   OS   _O37    56     1.45857   110.28845   -65.01039
   65    61 S   CA   _C13    48     1.47971    99.77225  -143.23500
   66    65 S   CA   _C14    49     1.38587   129.15187  -170.52313
   67    66 S   HA   _H16    50     1.08580   120.35187     2.33540
   68    66 S   CA   _C15    51     1.39876   118.22122  -176.84006
   69    68 S   CA   _C19    52     1.40210   119.50374     0.38917
   70    69 S   CA   _C20    53     1.39466   122.24516     0.32325
   71    70 S   HA   _H19    54     1.08376   121.60497   179.13092
   72    69 S   OS   _O36    57     1.41143   120.37662   179.48604
   73    65 S   CA   _C21    55     1.38638   109.54887    12.97503
   74    72 S   CO4  _C18    58     1.39037   121.71152    -0.71819
   75    74 S   O    _O35    59     1.22606   122.18987  -178.92353
   76    74 S   CM   _C17    60     1.47395   116.82160     0.76413
   77    76 S   HC   _H18    61     1.08436   117.06691   179.73239
   78    68 S   CM   _C16    62     1.45320   121.79995   179.64502
   79    78 S   HC   _H17    63     1.08456   118.99863     0.71189
  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
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  13  16  17   8   9   3   2   1   5   2   1   1   9   5   4   6
   8   9   4  10   9   5   2   6   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    53    57    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    61    64    53    54    55    56    57    58    59    60  
   51    52    61    62    63    65    73    64    53    54    55    56    57    58    59    60  
   52    61    62    63    65    66    70    73    64    53    54    55    56    57    58    59    60  
   61    62    63    65    73    64    53    57  
   54    55    56    57    58    59    60    61    64  
   55    56    57  
   56    57  
   57  
   58    59    60    61    64  
   59    60  
   60  
    0  
   62    63    65    66    67    68    70    73    64  
   63    65    66    73    64  
   65    66    73    64  
   65    66    69    70    71    73  
   66    67    68    69    70    71    73    78  
   67    68    69    70    73    72    76    78    79  
   68    69    73    78  
   69    70    71    73    72    74    76    77    78    79  
   70    71    73    72    74    75    76    78    79  
   71    73    72    74    78  
   73    72  
   74    75    76    77    78    73  
    0  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.005000   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.135000   2.5000   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   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   268.000  1.529
   50    53   268.000  1.529
   50    57   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   51    64   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   317.000  1.510
   65    66   469.000  1.400
   65    73   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   469.000  1.400
   68    78   320.000  1.460
   69    70   469.000  1.400
   69    72   450.000  1.364
   70    71   367.000  1.080
   70    73   469.000  1.400
   73    64   450.000  1.364
   72    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   340.000  1.080
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    50.00000  109.50000
   49    50    53    50.00000  109.50000
   49    50    57    50.00000  109.50000
   50    51    52    37.50000  110.70000
   50    51    61    58.35000  112.70000
   50    51    64    50.00000  109.50000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   50    57    58    37.50000  110.70000
   50    57    59    37.50000  110.70000
   50    57    60    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    65    70.00000  112.17500
   51    64    73    75.00000  111.00000
   61    51    52    37.50000  110.70000
   61    65    66    70.00000  120.00000
   61    65    73    70.00000  120.00000
   63    61    62    33.00000  107.80000
   65    61    62    35.00000  109.50000
   65    61    63    35.00000  109.50000
   65    66    67    35.00000  120.00000
   65    66    68    63.00000  120.00000
   65    73    70    63.00000  120.00000
   65    73    64    70.00000  120.00000
   66    68    69    63.00000  120.00000
   66    68    78    60.00000  120.93500
   68    66    67    35.00000  120.00000
   68    69    70    63.00000  120.00000
   68    69    72    70.00000  120.00000
   68    78    76    60.00000  123.20500
   68    78    79    40.00000  117.26300
   69    70    71    35.00000  120.00000
   69    70    73    63.00000  120.00000
   69    72    74    85.00000  115.98000
   70    73    64    70.00000  120.00000
   73    65    66    63.00000  120.00000
   73    70    71    35.00000  120.00000
   64    51    52    35.00000  109.50000
   64    51    61    50.00000  109.50000
   72    69    70    70.00000  120.00000
   72    74    75    83.00000  123.40000
   72    74    76    90.00000  111.29400
   74    76    77    40.00000  117.72500
   74    76    78    65.00000  118.96000
   76    74    75    80.00000  123.72100
   76    78    79    35.00000  120.00000
   78    68    69    60.00000  120.93500
   78    76    77    35.00000  120.00000
   53    50    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   57    50    51    58.35000  112.70000
   57    50    53    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51  -0.46850  1.0 1.0
   43    49    50    51   0.09300 -1.0 2.0
   43    49    50    51  -0.12850  1.0 3.0
   43    49    50    53  -0.46850  1.0 1.0
   43    49    50    53   0.09300 -1.0 2.0
   43    49    50    53  -0.12850  1.0 3.0
   43    49    50    57  -0.46850  1.0 1.0
   43    49    50    57   0.09300 -1.0 2.0
   43    49    50    57  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    51    52   0.23400  1.0 3.0
   49    50    51    61   0.62750  1.0 1.0
   49    50    51    61  -0.30950 -1.0 2.0
   49    50    51    61   0.27300  1.0 3.0
   49    50    51    64   1.11900  1.0 1.0
   49    50    51    64  -1.16350 -1.0 2.0
   49    50    51    64  -0.34150  1.0 3.0
   49    50    53    54   0.23400  1.0 3.0
   49    50    53    55   0.23400  1.0 3.0
   49    50    53    56   0.23400  1.0 3.0
   49    50    57    58   0.23400  1.0 3.0
   49    50    57    59   0.23400  1.0 3.0
   49    50    57    60   0.23400  1.0 3.0
   50    51    61    62   0.15000  1.0 3.0
   50    51    61    63   0.15000  1.0 3.0
   50    51    61    65  -0.03700  1.0 1.0
   50    51    61    65   0.37200 -1.0 2.0
   50    51    61    65  -0.47300  1.0 3.0
   50    51    64    73  -0.32850  1.0 1.0
   50    51    64    73  -0.35800 -1.0 2.0
   50    51    64    73   0.33950  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    56   0.15000  1.0 3.0
   51    50    57    58   0.15000  1.0 3.0
   51    50    57    59   0.15000  1.0 3.0
   51    50    57    60   0.15000  1.0 3.0
   51    61    65    66   0.04150 -1.0 2.0
   51    61   -65    73   0.04150 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    65   0.43200  1.0 3.0
   52    51    64    73   0.08050  1.0 3.0
   61    51   -64    73  -0.32850  1.0 1.0
   61    51   -64    73  -0.35800 -1.0 2.0
   61    51   -64    73   0.33950  1.0 3.0
   61    65    66    67   3.62500 -1.0 2.0
   61    65    66    68   3.62500 -1.0 2.0
   61    65    73    70   3.62500 -1.0 2.0
   61    65   -73    64   3.62500 -1.0 2.0
   62    61    65    66   0.00000  1.0 1.0
   62    61    65    73   0.00000  1.0 1.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    73   0.00000  1.0 1.0
   65    66    68    69   3.62500 -1.0 2.0
   65    66    68    78   3.62500 -1.0 2.0
   65    73   -64    51   1.63200 -1.0 2.0
   66    65    73    70   3.62500 -1.0 2.0
   66    65    73    64   3.62500 -1.0 2.0
   66    68   -69    70   3.62500 -1.0 2.0
   66    68    69    72   3.62500 -1.0 2.0
   66    68    78    76   0.15800  1.0 1.0
   66    68    78    76   1.85350 -1.0 2.0
   66    68    78    76  -0.48700  1.0 3.0
   66    68    78    79   0.56550  1.0 3.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    78   3.62500 -1.0 2.0
   68    69    70    71   3.62500 -1.0 2.0
   68    69    70    73   3.62500 -1.0 2.0
   68    69    72    74   0.01300  1.0 1.0
   68    69    72    74   0.97950 -1.0 2.0
   68    69    72    74  -0.55700  1.0 3.0
   69    68    78    76   0.15800  1.0 1.0
   69    68    78    76   1.85350 -1.0 2.0
   69    68    78    76  -0.48700  1.0 3.0
   69    68    78    79   0.56550  1.0 3.0
   69    70   -73    65   3.62500 -1.0 2.0
   69    70    73    64   3.62500 -1.0 2.0
   69    72    74    75   3.00000 -1.0 2.0
   69    72   -74    76   2.00000 -1.0 2.0
   70    69    72    74   0.01300  1.0 1.0
   70    69    72    74   0.97950 -1.0 2.0
   70    69    72    74  -0.55700  1.0 3.0
   70    73    64    51   1.63200 -1.0 2.0
   71    70    73    65   3.62500 -1.0 2.0
   71    70    73    64   3.62500 -1.0 2.0
   73    65    66    67   3.62500 -1.0 2.0
   73    65   -66    68   3.62500 -1.0 2.0
   64    51    61    62   0.23400  1.0 3.0
   64    51    61    63   0.23400  1.0 3.0
   64    51   -61    65  -0.64350  1.0 1.0
   64    51   -61    65  -0.04200 -1.0 2.0
   64    51   -61    65   0.19800  1.0 3.0
   72    69    70    71   3.62500 -1.0 2.0
   72    69    70    73   3.62500 -1.0 2.0
   72    74    76    77   1.63100 -1.0 2.0
   72    74    76    78  -0.56150  1.0 1.0
   72    74    76    78   2.19150 -1.0 2.0
   74    76   -78    68   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   1.00000 -1.0 2.0
   77    76    78    68   7.00000 -1.0 2.0
   77    76    78    79   7.00000 -1.0 2.0
   78    68    69    70   3.62500 -1.0 2.0
   78    68   -69    72   3.62500 -1.0 2.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    61   0.56750  1.0 1.0
   53    50    51    61  -0.07550 -1.0 2.0
   53    50    51    61   0.20000  1.0 3.0
   53    50    51    64   0.62750  1.0 1.0
   53    50    51    64  -0.30950 -1.0 2.0
   53    50    51    64   0.27300  1.0 3.0
   53    50    57    58   0.15000  1.0 3.0
   53    50    57    59   0.15000  1.0 3.0
   53    50    57    60   0.15000  1.0 3.0
   57    50    51    52   0.15000  1.0 3.0
   57    50    51    61   0.56750  1.0 1.0
   57    50    51    61  -0.07550 -1.0 2.0
   57    50    51    61   0.20000  1.0 3.0
   57    50    51    64   0.62750  1.0 1.0
   57    50    51    64  -0.30950 -1.0 2.0
   57    50    51    64   0.27300  1.0 3.0
   57    50    53    54   0.15000  1.0 3.0
   57    50    53    55   0.15000  1.0 3.0
   57    50    53    56   0.15000  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  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
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   66    73    65    61   4.00000 -1.0 2.0
   68    67    66    65   1.10000 -1.0 2.0
   69    78    68    66   4.00000 -1.0 2.0
   70    72    69    68   4.00000 -1.0 2.0
   73    71    70    69   1.10000 -1.0 2.0
   70    64    73    65   4.00000 -1.0 2.0
   72    76    74    75  10.50000 -1.0 2.0
   74    77    76    78   1.10000 -1.0 2.0
   68    79    78    76   1.10000 -1.0 2.0
END
